From 7b1408c3b427e5c54d341fa3d1a41f6bb110704c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Tobias=20Bruderer=20=2C=20Emmanuel=20Varesio=20=2C=20G?= =?UTF-8?q?=C3=A9rard=20Hopfgartner?= Date: Fri, 15 Nov 2024 03:09:44 +0000 Subject: [PATCH 1/5] added dataset ROASMI_66 --- raw_data/draft_45277/draft_45277_gradient.tsv | 5 + raw_data/draft_45277/draft_45277_info.tsv | 2 + .../draft_45277/draft_45277_metadata.yaml | 30 +++ raw_data/draft_45277/draft_45277_rtdata.tsv | 212 ++++++++++++++++++ 4 files changed, 249 insertions(+) create mode 100644 raw_data/draft_45277/draft_45277_gradient.tsv create mode 100644 raw_data/draft_45277/draft_45277_info.tsv create mode 100644 raw_data/draft_45277/draft_45277_metadata.yaml create mode 100644 raw_data/draft_45277/draft_45277_rtdata.tsv diff --git a/raw_data/draft_45277/draft_45277_gradient.tsv b/raw_data/draft_45277/draft_45277_gradient.tsv new file mode 100644 index 000000000..5cd2c47f3 --- /dev/null +++ b/raw_data/draft_45277/draft_45277_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +20 0.3 5 95 +25 0.3 5 95 diff --git a/raw_data/draft_45277/draft_45277_info.tsv b/raw_data/draft_45277/draft_45277_info.tsv new file mode 100644 index 000000000..f99f8250a --- /dev/null +++ b/raw_data/draft_45277/draft_45277_info.tsv @@ -0,0 +1,2 @@ +id authors name url comment +draft_45277 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid.,submitted by:Fangyuan Sun diff --git a/raw_data/draft_45277/draft_45277_metadata.yaml b/raw_data/draft_45277/draft_45277_metadata.yaml new file mode 100644 index 000000000..961bbd11a --- /dev/null +++ b/raw_data/draft_45277/draft_45277_metadata.yaml @@ -0,0 +1,30 @@ +column: + name: Merck Supelco Ascentis Express C18 + id: 2.1 + temperature: 40 + flowrate: 0.3 + usp.code: L1 + length: 100 + particle.size: '2.7' +eluent: + A: + h2o: + value: 100 + unit: '%' + meoh: + value: 0 + unit: '%' + nh4form: + value: 5 + unit: mM + B: + h2o: + value: 0 + unit: '%' + meoh: + value: 100 + unit: '%' + nh4form: + value: 0 + unit: mM +id: draft_45277 diff --git a/raw_data/draft_45277/draft_45277_rtdata.tsv b/raw_data/draft_45277/draft_45277_rtdata.tsv new file mode 100644 index 000000000..6cba6d095 --- /dev/null +++ b/raw_data/draft_45277/draft_45277_rtdata.tsv @@ -0,0 +1,212 @@ +rt comment id pubchem.smiles.isomeric pubchem.cid +0.6 draft_45277_00001 C(CO)NCCO 8113 +0.6 draft_45277_00002 C1=C(NC=N1)CCN 774 +0.6 draft_45277_00003 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N 6427003 +0.6 draft_45277_00004 C(C[C@@H](C(=O)O)N)[C@H](CN)O 3032849 +0.6 draft_45277_00005 C1=C(NC=N1)C[C@@H](CO)N 165271 +0.6 draft_45277_00006 C(C[C@@H](C(=O)O)N)CN 6262 +0.6 draft_45277_00007 C(CCN)C[C@@H](C(=O)O)N 5962 +0.7 draft_45277_00008 C(CS(=O)O)N 107812 +0.7 draft_45277_00009 C(CC(=O)O)CN 119 +0.7 draft_45277_00010 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CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC 4594 +10.4 draft_45277_00167 COC1=CC=C(C=C1)/C=C/C(=O)O 699414 +10.8 draft_45277_00168 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O 5280445 +10.8 draft_45277_00169 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC 2520 +10.9 draft_45277_00170 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O 4788 +11 draft_45277_00171 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O 5280961 +11.4 draft_45277_00172 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 3696 +11.4 draft_45277_00173 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O 5754 +11.6 draft_45277_00174 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O 5280863 +11.7 draft_45277_00175 CCC(C1=CC=CC=C1)C(=O)O 7012 +12.5 draft_45277_00176 CC1=CC[C@@H](CC1=O)C(=C)C 16724 +12.6 draft_45277_00177 C(CCCCC(=O)O)CCCCC(=O)O 15816 +12.8 draft_45277_00178 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C 440707 +13.2 draft_45277_00179 CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C 440105 +13.4 draft_45277_00180 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O 156391 +13.5 draft_45277_00181 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 6128 +13.7 draft_45277_00182 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O 5991 +13.9 draft_45277_00183 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 6166 +13.9 draft_45277_00184 C(CCCCCC(=O)O)CCCCC(=O)O 12736 +14 draft_45277_00185 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C 13789 +14.2 draft_45277_00186 C(CCCCCC(=O)O)CCCCCO 79034 +14.5 draft_45277_00187 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C 5881 +14.5 draft_45277_00188 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 6238 +14.8 draft_45277_00189 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 222865 +14.9 draft_45277_00190 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 6675 +15 draft_45277_00191 C(CCCCCC(=O)O)CCCCCC(=O)O 10458 +15.6 draft_45277_00192 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C 10140 +15.6 draft_45277_00193 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C 101964 +16 draft_45277_00194 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O 3672 +16.2 draft_45277_00195 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O 5879 +16.2 draft_45277_00196 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 28417 +16.3 draft_45277_00197 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 2733768 +16.4 draft_45277_00198 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C 444262 +16.5 draft_45277_00199 CCCCCCCCCC(CC(=O)O)O 94216 +16.7 draft_45277_00200 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O 11103 +17 draft_45277_00201 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O 68271 +18 draft_45277_00202 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O 91486 +18 draft_45277_00203 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C 10133 +18.9 draft_45277_00204 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O 10114 +20 draft_45277_00205 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C 5282379 +20.2 draft_45277_00206 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO 92802 +20.3 draft_45277_00207 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C 444795 +20.3 draft_45277_00208 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C 638015 +20.7 draft_45277_00209 CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C 72422 +21.7 draft_45277_00210 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C 91474 +25 draft_45277_00211 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C 91477 From 35a733fda09af97deab9c35fdd8fa1e4a50c9c8d Mon Sep 17 00:00:00 2001 From: Github Actions Date: Fri, 15 Nov 2024 03:19:44 +0000 Subject: [PATCH 2/5] Preprocessing draft_45277 --- ...ft_45277_descriptors_canonical_success.tsv | 212 +++++++++ ...aft_45277_descriptors_isomeric_success.tsv | 212 +++++++++ ...7_fingerprints_ecfp6_canonical_success.tsv | 212 +++++++++ ...77_fingerprints_ecfp6_isomeric_success.tsv | 212 +++++++++ ...7_fingerprints_maccs_canonical_success.tsv | 212 +++++++++ ...77_fingerprints_maccs_isomeric_success.tsv | 212 +++++++++ ...fingerprints_pubchem_canonical_success.tsv | 212 +++++++++ ..._fingerprints_pubchem_isomeric_success.tsv | 212 +++++++++ .../draft_45277/draft_45277_gradient.tsv | 5 + .../draft_45277/draft_45277_info.tsv | 2 + .../draft_45277/draft_45277_metadata.tsv | 2 + .../draft_45277/draft_45277_metadata.yaml | 20 + .../draft_45277_report_canonical.pdf | Bin 0 -> 21016 bytes .../draft_45277_report_isomeric.pdf | Bin 0 -> 21008 bytes .../draft_45277_rtdata_canonical_success.tsv | 212 +++++++++ .../draft_45277_rtdata_isomeric_success.tsv | 212 +++++++++ .../draft_45277_validation_qspr_outliers.tsv | 10 + processed_data/studies.tsv | 1 + raw_data/draft_45277/draft_45277_metadata.tsv | 2 + raw_data/draft_45277/draft_45277_rtdata.tsv | 424 +++++++++--------- .../draft_45277/draft_45277_rtdata.tsv.old | 212 +++++++++ raw_data/studies.tsv | 1 + 22 files changed, 2587 insertions(+), 212 deletions(-) create mode 100644 processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_descriptors_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_gradient.tsv create mode 100644 processed_data/draft_45277/draft_45277_info.tsv create mode 100644 processed_data/draft_45277/draft_45277_metadata.tsv create mode 100644 processed_data/draft_45277/draft_45277_metadata.yaml create mode 100644 processed_data/draft_45277/draft_45277_report_canonical.pdf create mode 100644 processed_data/draft_45277/draft_45277_report_isomeric.pdf create mode 100644 processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv create mode 100644 raw_data/draft_45277/draft_45277_metadata.tsv create mode 100644 raw_data/draft_45277/draft_45277_rtdata.tsv.old diff --git a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv new file mode 100644 index 000000000..894e1e9bd --- /dev/null +++ b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv @@ -0,0 +1,212 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 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20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +draft_45277_00181 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 +draft_45277_00182 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 +draft_45277_00183 7,15,20,21,25,26,49,60,88,89,99,117,134,148,153,214,222,236,245,255,285,288,293,308,314,315,326,338,342,351,357,399,492,499,508,513,538,547,566,603,615,618,626,633,698,727,742,744,772,782,789,816,821,847,866,877,898,948,949,968,1021,1022 +draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00185 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +draft_45277_00187 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 +draft_45277_00188 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 +draft_45277_00189 15,26,67,75,89,93,104,134,159,201,214,222,245,254,285,288,292,399,400,414,416,440,453,485,492,499,508,540,566,586,609,639,666,676,679,697,698,703,746,757,765,772,780,782,783,851,948,949,951,963,1022 +draft_45277_00190 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00192 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 +draft_45277_00193 7,10,15,20,21,25,26,49,88,89,92,100,117,134,148,199,209,214,222,236,245,255,274,278,288,308,315,351,357,376,399,400,443,458,473,492,499,508,513,547,566,598,603,604,637,727,742,744,762,770,772,782,816,898,902,948,949,968,976,1022 +draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +draft_45277_00195 15,26,60,75,89,104,134,159,214,222,244,245,254,285,288,292,400,401,414,417,453,492,499,508,566,586,605,609,626,655,659,666,676,690,692,698,703,746,757,762,772,782,783,818,851,936,948,949,951,952,964,1022 +draft_45277_00196 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 +draft_45277_00197 15,20,26,44,45,60,80,89,92,99,146,153,159,161,207,222,229,231,236,243,244,270,285,314,343,360,366,371,379,401,414,417,453,479,489,492,499,508,516,530,566,605,609,613,618,621,623,626,655,659,670,674,686,690,726,727,758,762,769,772,793,795,802,806,808,818,851,873,883,936,948,949,952,964,970,971,983,1009,1022 +draft_45277_00198 15,20,26,60,89,94,124,134,153,182,207,222,231,244,245,261,285,288,302,330,338,343,401,453,458,470,480,492,494,499,508,530,533,536,540,586,605,609,618,626,644,655,670,677,678,688,690,726,727,752,762,772,795,802,806,814,818,894,907,921,936,944,948,961,964,983 +draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 +draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 +draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 +draft_45277_00202 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 +draft_45277_00203 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 +draft_45277_00204 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 +draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00206 14,15,26,27,35,60,80,89,101,134,135,139,153,157,163,174,176,179,187,193,214,222,260,274,282,285,289,299,321,326,333,377,384,394,457,473,482,488,495,499,518,536,540,572,595,611,616,626,636,654,656,746,747,763,769,772,775,780,786,791,818,843,852,916,920,936,948,951,968,1009,1014 +draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 +draft_45277_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 +draft_45277_00210 13,15,18,25,26,49,60,79,89,101,119,124,134,151,153,169,182,184,188,193,207,214,219,222,231,245,258,285,288,327,340,343,351,400,470,492,494,499,508,513,515,540,547,575,586,618,626,690,696,726,727,729,752,772,778,793,795,802,806,814,818,823,874,883,904,936,944,948,961,968,992 +draft_45277_00211 7,13,15,21,25,26,49,60,88,89,99,117,134,148,153,207,214,219,222,231,236,245,255,285,288,308,315,327,331,343,351,357,399,470,492,494,499,508,513,515,547,566,567,586,603,618,698,726,727,742,772,778,782,795,802,806,816,877,883,884,898,904,944,948,949,961,968,992,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..6840b235e --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 21,22,59,152,153,259,326,360,516,626,666,932 +draft_45277_00002 77,88,115,117,134,153,195,356,387,395,405,479,481,545,662,669,786,787,913,968 +draft_45277_00003 20,56,77,94,107,134,141,153,207,225,231,270,417,424,436,458,480,481,508,511,516,531,621,626,655,700,727,738,739,743,764,776,778,888,896,907,913,917,920,984 +draft_45277_00004 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +draft_45277_00005 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 +draft_45277_00006 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +draft_45277_00007 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +draft_45277_00008 14,77,145,153,262,451,481,508,591,626,842,913,972 +draft_45277_00009 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 +draft_45277_00010 6,29,77,102,134,146,152,153,171,182,195,220,234,264,326,328,330,387,393,405,420,481,580,596,605,626,640,708,719,746,948,968 +draft_45277_00011 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 +draft_45277_00012 20,94,107,141,153,207,254,481,508,560,626,671,727,776,789,948,994 +draft_45277_00013 57,72,76,89,109,123,147,153,166,173,177,266,284,347,351,442,461,481,491,508,555,588,626,687,692,700,719,743,763,817,818,936,945,954,963,974,1008 +draft_45277_00014 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 +draft_45277_00015 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 +draft_45277_00016 57,64,67,76,89,109,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,245,266,304,309,319,337,347,351,387,401,405,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,692,719,722,743,763,783,792,860,868,874,887,889,936,954,968,974,980,997,1004 +draft_45277_00017 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 +draft_45277_00018 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 +draft_45277_00019 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 +draft_45277_00020 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 +draft_45277_00021 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 +draft_45277_00022 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 +draft_45277_00023 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +draft_45277_00024 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 +draft_45277_00025 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20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 +draft_45277_00129 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +draft_45277_00130 19,20,58,64,94,107,134,141,153,199,207,214,260,269,289,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,654,662,727,762,776,778,789,797,812,833,896,948,968,989,991 +draft_45277_00131 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +draft_45277_00132 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +draft_45277_00133 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +draft_45277_00134 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +draft_45277_00135 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +draft_45277_00136 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +draft_45277_00137 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +draft_45277_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +draft_45277_00139 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +draft_45277_00140 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +draft_45277_00141 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 +draft_45277_00142 19,36,37,57,105,119,131,134,153,207,211,219,220,240,245,253,262,266,274,292,324,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,563,582,585,588,596,607,615,616,626,647,658,662,668,691,692,701,710,746,757,758,763,775,841,919,934,948,954,968,1006,1018,1024 +draft_45277_00143 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +draft_45277_00144 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +draft_45277_00145 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +draft_45277_00146 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +draft_45277_00147 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +draft_45277_00148 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +draft_45277_00149 8,65,85,89,91,96,134,139,145,153,159,172,179,197,212,311,319,326,351,381,387,390,401,403,405,421,422,442,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,653,678,694,709,710,719,743,747,783,824,880,887,907,935,936,949,968,971,974,975,990,1003 +draft_45277_00150 107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 +draft_45277_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 +draft_45277_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +draft_45277_00153 64,96,134,141,153,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,714,747,762,778,786,797,812,819,845,867,893,896,939,968,989 +draft_45277_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +draft_45277_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +draft_45277_00156 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 +draft_45277_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +draft_45277_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +draft_45277_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +draft_45277_00162 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 +draft_45277_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +draft_45277_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 +draft_45277_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +draft_45277_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 +draft_45277_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +draft_45277_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +draft_45277_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 +draft_45277_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +draft_45277_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +draft_45277_00173 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +draft_45277_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +draft_45277_00175 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +draft_45277_00176 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 +draft_45277_00177 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00178 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +draft_45277_00179 1,15,20,25,26,36,39,49,72,85,87,89,108,134,141,148,151,217,222,233,236,245,255,285,311,315,342,351,357,399,418,463,469,499,508,513,517,555,566,603,610,626,633,719,727,755,762,766,768,772,802,819,822,836,857,870,897,936,948,968,971,1019,1022 +draft_45277_00180 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +draft_45277_00181 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 +draft_45277_00182 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 +draft_45277_00183 15,20,25,26,49,60,72,85,87,89,116,118,134,141,148,153,222,245,255,258,280,285,291,297,311,315,326,351,357,371,393,399,452,471,477,499,506,508,513,560,566,581,595,603,626,727,755,768,772,801,821,836,849,866,875,898,944,948,950,968,969,1019,1022 +draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00185 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +draft_45277_00187 15,25,26,44,85,89,109,134,144,214,222,245,254,274,295,297,311,318,348,351,357,400,472,473,477,494,499,508,540,566,583,586,601,626,654,660,690,692,700,703,755,772,774,787,801,816,818,840,841,894,936,948,963,968,990,1022 +draft_45277_00188 15,20,25,26,36,72,82,85,89,129,134,141,148,222,245,250,255,271,272,291,305,311,315,316,351,357,358,372,399,446,452,499,508,513,566,568,595,603,626,727,755,762,768,772,801,814,836,855,862,875,900,944,948,968,969,978,1019,1022 +draft_45277_00189 15,26,49,67,85,89,93,103,109,134,147,222,245,254,274,285,294,297,343,348,399,400,424,448,454,472,477,499,508,540,566,586,601,609,632,679,703,739,765,772,780,787,801,841,851,879,908,948,963,969,1022 +draft_45277_00190 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 +draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00192 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 +draft_45277_00193 15,20,25,26,72,85,89,92,134,141,148,222,245,255,274,276,284,287,291,311,315,341,351,357,399,418,443,452,458,472,473,499,508,513,566,567,593,595,603,604,623,727,755,762,768,772,801,804,836,841,853,875,915,944,948,963,968,969,1019,1022 +draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +draft_45277_00195 15,26,49,60,85,89,109,134,222,245,252,254,274,285,290,297,310,316,343,348,400,401,424,437,472,477,499,508,566,586,601,609,626,632,681,690,703,713,739,772,787,801,804,818,841,851,879,936,948,964,969,1022 +draft_45277_00196 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 +draft_45277_00197 4,5,15,20,26,45,49,60,76,80,85,87,89,92,99,108,118,146,153,159,163,207,222,228,231,236,243,252,270,281,285,290,314,316,326,340,351,352,360,366,401,402,408,424,437,479,482,499,508,516,524,530,566,609,626,657,690,713,727,753,759,772,777,802,808,818,851,860,879,936,948,964,969,970,976,987,999,1003,1009,1015,1022 +draft_45277_00198 15,20,26,42,60,76,85,87,89,94,134,146,153,156,163,170,182,207,215,222,223,231,245,252,261,285,290,302,316,371,401,424,437,480,499,503,508,530,540,573,594,609,613,626,644,684,690,697,710,727,729,752,759,762,772,801,802,814,818,860,894,909,928,936,944,948,964,973,976,982 +draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 +draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 +draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 +draft_45277_00202 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 +draft_45277_00203 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 +draft_45277_00204 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 +draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00206 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 +draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 +draft_45277_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 +draft_45277_00210 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 +draft_45277_00211 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..ac7397ccf --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +draft_45277_00009 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +draft_45277_00010 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +draft_45277_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +draft_45277_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +draft_45277_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00015 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +draft_45277_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +draft_45277_00017 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +draft_45277_00018 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +draft_45277_00019 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +draft_45277_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +draft_45277_00022 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +draft_45277_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +draft_45277_00025 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +draft_45277_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +draft_45277_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 +draft_45277_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +draft_45277_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +draft_45277_00030 75,79,82,83,84,85,90,91,92,95,96,100,110,111,117,118,121,122,123,128,129,131,132,136,137,138,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,164,165 +draft_45277_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 +draft_45277_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +draft_45277_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +draft_45277_00034 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +draft_45277_00035 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 +draft_45277_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +draft_45277_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +draft_45277_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +draft_45277_00040 54,84,86,88,90,93,95,104,111,115,123,131,139,151,153,154,155,156,157,158,159,160,161,164 +draft_45277_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +draft_45277_00042 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +draft_45277_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +draft_45277_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +draft_45277_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +draft_45277_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +draft_45277_00047 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26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..ac7397ccf --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +draft_45277_00005 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26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..8bc22f761 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 +draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 +draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +draft_45277_00050 10,15,284,286,366,375,391,392,541 +draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 +draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 +draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 +draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 +draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 +draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 +draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 +draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 +draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 +draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 +draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 +draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 +draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 +draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 +draft_45277_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 +draft_45277_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 +draft_45277_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +draft_45277_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 +draft_45277_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..8bc22f761 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 +draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 +draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +draft_45277_00050 10,15,284,286,366,375,391,392,541 +draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 +draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 +draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 +draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 +draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 +draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 +draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 +draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 +draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 +draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 +draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 +draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 +draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 +draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 +draft_45277_00194 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10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_gradient.tsv b/processed_data/draft_45277/draft_45277_gradient.tsv new file mode 100644 index 000000000..5cd2c47f3 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +20 0.3 5 95 +25 0.3 5 95 diff --git a/processed_data/draft_45277/draft_45277_info.tsv b/processed_data/draft_45277/draft_45277_info.tsv new file mode 100644 index 000000000..f99f8250a --- /dev/null +++ b/processed_data/draft_45277/draft_45277_info.tsv @@ -0,0 +1,2 @@ +id authors name url comment +draft_45277 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid.,submitted by:Fangyuan Sun diff --git a/processed_data/draft_45277/draft_45277_metadata.tsv b/processed_data/draft_45277/draft_45277_metadata.tsv new file mode 100644 index 000000000..f843c12ea --- /dev/null +++ b/processed_data/draft_45277/draft_45277_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +draft_45277 Merck Supelco Ascentis Express C18 L1 100 2.1 2.7 40 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 diff --git a/processed_data/draft_45277/draft_45277_metadata.yaml b/processed_data/draft_45277/draft_45277_metadata.yaml new file mode 100644 index 000000000..b54a4dddb --- /dev/null +++ b/processed_data/draft_45277/draft_45277_metadata.yaml @@ -0,0 +1,20 @@ +id: draft_45277 +column: + name: Merck Supelco Ascentis Express C18 + usp.code: L1 + length: 100 + id: 2.1 + particle.size: 2.7 + temperature: 40 + flowrate: 0.3 + t0: 0.735 +eluent: + A: + h2o: 100 + nh4form: + value: 5 + unit: mM + B: + meoh: 100 + nh4form: + unit: mM diff --git a/processed_data/draft_45277/draft_45277_report_canonical.pdf b/processed_data/draft_45277/draft_45277_report_canonical.pdf new file mode 100644 index 0000000000000000000000000000000000000000..09604fe73a6f4ee738b22581b246f2cae0d90f3b GIT binary patch literal 21016 zcma&O1ymi+vi41ali=>|?(P!Y-QC@tAi>=wKya7fPH>0d!QI_0z_&Na|D1F0eZRZz zT3I`r?s}?vdU|Hn{?$yA%8Q86GSacYkos@>Z~0I7Pis5EFcL5j*cn>F@bJLU3p<(^ zI9u4+iWoSX5KxG4F)=W)FfuZ-GB7i8GBQxY(975v|Nr(WTR2+-REh+j91ZNvEsUH9 z>oSMs(u!H_6f~xWEtQx{{Uw0KL_Dy?+B#`8EU{iSoZK#Kq8q-R#rc- 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zA0|8h8dRU)!sspA!KF0=uIy8-vXu$h8`-i%8xdgsNin?0wWUo(_rmIqZM`|TZV&4UYp%~)Irw`QDMfB#2i zaoxCl*0KOcxwDu|079%88EQ}(#iKYZu8@x)5m2Xupa5V4OaUC@M4))4Lo%R1z-H4w(8Gk>P&!Y@Vbg^I1PTlVxxh)tjc(eRZyeoeA57|| z2(Ubfzw3Z0AfSAO!2%P0&L~3nLXXfn(2=0fVCu`e8c%>70SH(OI+PTa+h%I%hkQCy zviLt7pt0ZB`Be_c10Xx(qc*>D>y|Ice)L74F!jG|yo1@SQ$pZlPEkC72}dI^Bslv0 zgCOAXI6Q)hc&}k0oQLs2aNlbf0u<<0Xc!_I!f~wDFjxrOv8oP>ha%HzZQts(XfzhH zdM%`p)@WEKA`~E3?1#qU@oUbE!(ySnuB^l1j69u{8XkvUalC|{NcfW8L;b%@IZ5k`)Rk&6O?0tB=%^xKpY W={$ky%VE)YClcJ=-oyKA_ Date: Fri, 15 Nov 2024 17:43:05 +0100 Subject: [PATCH 3/5] properly sort SMILES into isomeric and canonical --- ...ft_45277_descriptors_canonical_success.tsv | 212 ------------------ ...aft_45277_descriptors_isomeric_success.tsv | 212 ------------------ ...7_fingerprints_ecfp6_canonical_success.tsv | 212 ------------------ ...77_fingerprints_ecfp6_isomeric_success.tsv | 212 ------------------ ...7_fingerprints_maccs_canonical_success.tsv | 212 ------------------ ...77_fingerprints_maccs_isomeric_success.tsv | 212 ------------------ ...fingerprints_pubchem_canonical_success.tsv | 212 ------------------ ..._fingerprints_pubchem_isomeric_success.tsv | 212 ------------------ .../draft_45277/draft_45277_gradient.tsv | 5 - .../draft_45277/draft_45277_info.tsv | 2 - .../draft_45277/draft_45277_metadata.tsv | 2 - .../draft_45277/draft_45277_metadata.yaml | 20 -- .../draft_45277_report_canonical.pdf | Bin 21016 -> 0 bytes .../draft_45277_report_isomeric.pdf | Bin 21008 -> 0 bytes .../draft_45277_rtdata_canonical_success.tsv | 212 ------------------ .../draft_45277_rtdata_isomeric_success.tsv | 212 ------------------ .../draft_45277_validation_qspr_outliers.tsv | 10 - raw_data/draft_45277/draft_45277_info.tsv | 2 +- raw_data/draft_45277/draft_45277_rtdata.tsv | 194 ++++++++-------- 19 files changed, 98 insertions(+), 2257 deletions(-) delete mode 100644 processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_descriptors_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_gradient.tsv delete mode 100644 processed_data/draft_45277/draft_45277_info.tsv delete mode 100644 processed_data/draft_45277/draft_45277_metadata.tsv delete mode 100644 processed_data/draft_45277/draft_45277_metadata.yaml delete mode 100644 processed_data/draft_45277/draft_45277_report_canonical.pdf delete mode 100644 processed_data/draft_45277/draft_45277_report_isomeric.pdf delete mode 100644 processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv diff --git a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv deleted file mode 100644 index 894e1e9bd..000000000 --- a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW 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15,60,134,201,204,226,233,237,245,295,404,508,523,662,665,933,983,1022 -draft_45277_00107 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 -draft_45277_00108 15,34,41,61,88,134,151,188,204,212,245,274,298,335,374,506,508,524,585,598,603,662,686,696,757,779,806,923,948,984 -draft_45277_00109 88,102,138,153,217,256,347,411,504,505,763,820,877,883,948,954,994 -draft_45277_00110 134,245,264,266,416,452,464,491,508,524,528,576,585,623,638,657,686,769,877,948,955,968,986,987 -draft_45277_00111 117,134,144,265,292,317,370,405,422,479,486,511,580,613,626,655,662,670,691,705,750,787,828,882,905,948,958,960,968,981,989,1006 -draft_45277_00112 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 -draft_45277_00113 34,96,134,141,145,151,167,194,207,217,363,390,421,481,487,550,601,626,647,753,802,857,948,968 -draft_45277_00114 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 -draft_45277_00115 20,56,94,107,153,188,207,231,250,278,363,387,480,508,516,523,602,626,673,709,723,727,811,850,881,915,948,992,995,996,1015 -draft_45277_00116 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 -draft_45277_00117 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 -draft_45277_00118 12,20,94,126,153,185,257,343,347,361,480,505,508,539,544,626,640,663,727,893,948,994 -draft_45277_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 -draft_45277_00120 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 -draft_45277_00121 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 -draft_45277_00122 15,20,79,80,89,93,94,107,118,121,123,134,137,141,153,159,172,185,207,225,231,245,250,264,270,301,360,366,374,381,392,422,441,479,480,481,493,497,508,516,528,530,547,553,562,626,635,643,647,660,662,679,709,722,727,734,743,773,778,789,887,891,913,952,981,1003,1008,1023 -draft_45277_00123 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 -draft_45277_00124 20,62,93,94,96,107,134,141,145,153,207,210,230,251,270,310,352,421,427,459,480,481,487,498,508,511,516,550,558,588,602,626,635,667,673,727,732,739,840,842,917,952,968,989 -draft_45277_00125 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 -draft_45277_00126 3,15,89,134,138,167,237,245,260,309,405,417,461,508,534,545,688,722,763,772,775,948,1022 -draft_45277_00127 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 -draft_45277_00128 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 -draft_45277_00129 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 -draft_45277_00130 20,52,64,94,107,118,134,141,153,199,207,260,289,322,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,635,654,662,727,762,778,797,812,833,849,896,921,948,951,968,989 -draft_45277_00131 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 -draft_45277_00132 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 -draft_45277_00133 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 -draft_45277_00134 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 -draft_45277_00135 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 -draft_45277_00136 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 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57,105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,266,292,310,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,524,525,532,538,559,582,585,588,596,607,615,616,626,647,658,662,668,692,704,710,746,757,763,775,821,841,892,914,919,934,948,954,968,981,1006,1018,1024 -draft_45277_00143 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 -draft_45277_00144 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 -draft_45277_00145 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 -draft_45277_00146 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 -draft_45277_00147 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 -draft_45277_00148 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 -draft_45277_00149 8,44,65,89,91,96,134,139,145,153,163,172,179,192,199,207,311,319,326,327,330,369,374,381,385,403,405,421,422,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,678,680,694,709,719,747,783,791,824,880,887,907,919,936,949,959,968,971,974,975,1003 -draft_45277_00150 107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 -draft_45277_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 -draft_45277_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 -draft_45277_00153 64,65,96,134,141,153,173,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,701,714,747,762,778,786,797,812,867,893,896,968,989 -draft_45277_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 -draft_45277_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 -draft_45277_00156 4,15,35,44,73,89,110,128,129,134,153,170,192,197,200,206,210,215,220,226,245,260,264,282,299,303,311,316,320,334,336,347,353,362,369,392,399,405,423,435,444,461,473,486,504,508,512,515,534,540,547,549,550,555,562,575,579,618,624,626,628,636,640,656,657,660,661,683,701,705,709,719,724,727,734,778,785,787,791,793,796,816,863,882,904,936,948,962,968,974,994,1023 -draft_45277_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 -draft_45277_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 -draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 -draft_45277_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 -draft_45277_00162 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 -draft_45277_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 -draft_45277_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 -draft_45277_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 -draft_45277_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 -draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 -draft_45277_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 -draft_45277_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 -draft_45277_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 -draft_45277_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 -draft_45277_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 -draft_45277_00173 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 -draft_45277_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 -draft_45277_00175 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 -draft_45277_00176 15,20,44,56,58,89,115,134,138,160,220,245,274,302,307,364,454,473,508,512,540,649,660,666,762,871,934,948,968,971,1008 -draft_45277_00177 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00178 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 -draft_45277_00179 1,15,19,20,21,25,26,89,107,117,134,148,214,222,236,245,255,256,267,269,282,285,308,315,338,342,343,351,357,399,401,427,492,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,762,772,819,836,840,841,857,898,936,948,968,995,996,1022 -draft_45277_00180 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 -draft_45277_00181 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 -draft_45277_00182 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 -draft_45277_00183 7,15,20,21,25,26,49,60,88,89,99,117,134,148,153,214,222,236,245,255,285,288,293,308,314,315,326,338,342,351,357,399,492,499,508,513,538,547,566,603,615,618,626,633,698,727,742,744,772,782,789,816,821,847,866,877,898,948,949,968,1021,1022 -draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00185 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 -draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 -draft_45277_00187 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 -draft_45277_00188 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 -draft_45277_00189 15,26,67,75,89,93,104,134,159,201,214,222,245,254,285,288,292,399,400,414,416,440,453,485,492,499,508,540,566,586,609,639,666,676,679,697,698,703,746,757,765,772,780,782,783,851,948,949,951,963,1022 -draft_45277_00190 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 -draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00192 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 -draft_45277_00193 7,10,15,20,21,25,26,49,88,89,92,100,117,134,148,199,209,214,222,236,245,255,274,278,288,308,315,351,357,376,399,400,443,458,473,492,499,508,513,547,566,598,603,604,637,727,742,744,762,770,772,782,816,898,902,948,949,968,976,1022 -draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 -draft_45277_00195 15,26,60,75,89,104,134,159,214,222,244,245,254,285,288,292,400,401,414,417,453,492,499,508,566,586,605,609,626,655,659,666,676,690,692,698,703,746,757,762,772,782,783,818,851,936,948,949,951,952,964,1022 -draft_45277_00196 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 -draft_45277_00197 15,20,26,44,45,60,80,89,92,99,146,153,159,161,207,222,229,231,236,243,244,270,285,314,343,360,366,371,379,401,414,417,453,479,489,492,499,508,516,530,566,605,609,613,618,621,623,626,655,659,670,674,686,690,726,727,758,762,769,772,793,795,802,806,808,818,851,873,883,936,948,949,952,964,970,971,983,1009,1022 -draft_45277_00198 15,20,26,60,89,94,124,134,153,182,207,222,231,244,245,261,285,288,302,330,338,343,401,453,458,470,480,492,494,499,508,530,533,536,540,586,605,609,618,626,644,655,670,677,678,688,690,726,727,752,762,772,795,802,806,814,818,894,907,921,936,944,948,961,964,983 -draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 -draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 -draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 -draft_45277_00202 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 -draft_45277_00203 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 -draft_45277_00204 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 -draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00206 14,15,26,27,35,60,80,89,101,134,135,139,153,157,163,174,176,179,187,193,214,222,260,274,282,285,289,299,321,326,333,377,384,394,457,473,482,488,495,499,518,536,540,572,595,611,616,626,636,654,656,746,747,763,769,772,775,780,786,791,818,843,852,916,920,936,948,951,968,1009,1014 -draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 -draft_45277_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 -draft_45277_00210 13,15,18,25,26,49,60,79,89,101,119,124,134,151,153,169,182,184,188,193,207,214,219,222,231,245,258,285,288,327,340,343,351,400,470,492,494,499,508,513,515,540,547,575,586,618,626,690,696,726,727,729,752,772,778,793,795,802,806,814,818,823,874,883,904,936,944,948,961,968,992 -draft_45277_00211 7,13,15,21,25,26,49,60,88,89,99,117,134,148,153,207,214,219,222,231,236,245,255,285,288,308,315,327,331,343,351,357,399,470,492,494,499,508,513,515,547,566,567,586,603,618,698,726,727,742,772,778,782,795,802,806,816,877,883,884,898,904,944,948,949,961,968,992,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv deleted file mode 100644 index 6840b235e..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 21,22,59,152,153,259,326,360,516,626,666,932 -draft_45277_00002 77,88,115,117,134,153,195,356,387,395,405,479,481,545,662,669,786,787,913,968 -draft_45277_00003 20,56,77,94,107,134,141,153,207,225,231,270,417,424,436,458,480,481,508,511,516,531,621,626,655,700,727,738,739,743,764,776,778,888,896,907,913,917,920,984 -draft_45277_00004 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 -draft_45277_00005 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 -draft_45277_00006 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 -draft_45277_00007 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 -draft_45277_00008 14,77,145,153,262,451,481,508,591,626,842,913,972 -draft_45277_00009 20,77,94,153,436,480,481,508,530,626,637,727,752,778,791,913,976 -draft_45277_00010 6,29,77,102,134,146,152,153,171,182,195,220,234,264,326,328,330,387,393,405,420,481,580,596,605,626,640,708,719,746,948,968 -draft_45277_00011 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 -draft_45277_00012 20,94,107,141,153,207,254,481,508,560,626,671,727,776,789,948,994 -draft_45277_00013 57,72,76,89,109,123,147,153,166,173,177,266,284,347,351,442,461,481,491,508,555,588,626,687,692,700,719,743,763,817,818,936,945,954,963,974,1008 -draft_45277_00014 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 -draft_45277_00015 20,81,116,134,170,272,374,382,385,387,393,405,487,508,516,550,570,585,654,680,690,725,727,764,897,898,922,948,968,998 -draft_45277_00016 57,64,67,76,89,109,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,245,266,304,309,319,337,347,351,387,401,405,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,692,719,722,743,763,783,792,860,868,874,887,889,936,954,968,974,980,997,1004 -draft_45277_00017 20,94,144,153,480,508,550,596,603,626,670,727,847,948,997 -draft_45277_00018 4,57,77,127,134,153,201,207,226,259,286,291,305,308,347,350,353,390,481,515,549,550,619,626,640,647,666,705,778,787,814,849,858,948,968,991 -draft_45277_00019 20,94,153,259,261,341,480,481,488,508,530,563,626,659,698,704,727,752,756,778,833,914,915,976,1020 -draft_45277_00020 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 -draft_45277_00021 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 -draft_45277_00022 20,77,93,94,153,262,424,436,480,481,497,508,530,626,727,752,778,803,913,976 -draft_45277_00023 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 -draft_45277_00024 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 -draft_45277_00025 20,94,128,153,480,508,516,626,727,802,897,909,927,948,998 -draft_45277_00026 15,153,207,268,300,323,326,390,533,538,562,576,580,626,638,701,775,918,944 -draft_45277_00027 19,20,77,83,94,107,110,134,141,153,207,275,319,340,347,384,405,422,430,472,481,508,524,626,686,727,776,789,823,824,948,965,968,989 -draft_45277_00028 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 -draft_45277_00029 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 -draft_45277_00030 15,20,26,77,89,94,103,153,154,175,237,371,397,411,415,481,508,524,612,626,647,649,677,727,772,777,851,921,942,969,992 -draft_45277_00031 20,45,92,94,107,141,146,153,207,217,223,231,236,240,255,481,485,508,609,626,727,743,776,789 -draft_45277_00032 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 -draft_45277_00033 57,84,138,142,153,207,267,292,311,320,326,347,390,429,430,474,508,513,540,576,600,626,700,718,734,763,779,833,877,911,919,921,926,932,948,954,955,994 -draft_45277_00034 20,138,153,232,324,387,508,575,700,727,777,833,919,948,982 -draft_45277_00035 20,193,259,341,423,481,661,756,948 -draft_45277_00036 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 -draft_45277_00037 15,153,207,323,326,390,533,538,562,576,626,701,702 -draft_45277_00038 15,153,207,300,323,326,390,538,576,626,638,657,674,701,775,880,918,943,944 -draft_45277_00039 15,153,207,300,323,326,390,452,495,538,576,626,701,775,781,918,1018 -draft_45277_00040 7,20,94,107,118,141,153,207,242,348,355,481,508,626,635,727,743,881,915,948,1015 -draft_45277_00041 20,94,105,107,141,153,207,217,231,261,327,480,481,508,530,583,626,684,727,752,776,789 -draft_45277_00042 20,94,107,118,141,153,207,231,250,298,441,481,508,515,626,635,679,727,778 -draft_45277_00043 22,57,76,89,109,153,173,177,187,197,212,218,235,266,279,347,351,442,461,508,555,562,588,612,626,647,692,719,743,763,936,954,974,982 -draft_45277_00044 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 -draft_45277_00045 20,70,85,89,140,153,263,297,311,326,351,442,457,461,474,492,508,510,516,527,548,626,627,643,717,719,727,743,762,790,900,936,948,960,974 -draft_45277_00046 3,20,70,72,85,89,153,166,263,297,311,326,351,441,442,461,474,492,508,516,527,626,627,643,717,719,727,743,762,790,936,942,948,960,974 -draft_45277_00047 57,76,89,109,134,139,153,159,173,177,197,212,245,266,274,347,351,387,401,405,442,452,460,461,465,481,508,523,524,555,560,588,596,615,626,631,657,681,692,716,719,743,763,765,807,833,874,887,928,936,952,954,968,974,980,997 -draft_45277_00048 8,15,20,26,89,94,153,178,207,216,243,263,323,326,390,393,413,429,457,461,474,492,508,516,570,576,594,626,691,701,727,750,758,760,762,770,819,829,833,837,848,855,936,948,960,981,1000,1008 -draft_45277_00049 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57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 -draft_45277_00064 62,134,317,344,370,405,422,479,481,486,511,580,662,678,690,691,729,750,787,806,828,887,905,944,960,968,989,1006 -draft_45277_00065 20,94,128,153,270,272,480,508,516,626,641,724,727,762,871,927,948,960 -draft_45277_00066 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 -draft_45277_00067 63,67,94,134,143,199,317,319,360,363,405,422,458,479,515,517,524,550,576,600,614,662,666,675,686,693,787,948,968,982,984,1017 -draft_45277_00068 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 -draft_45277_00069 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3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 -draft_45277_00118 12,20,94,126,153,185,257,343,347,361,480,505,508,539,544,626,640,663,727,893,948,994 -draft_45277_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 -draft_45277_00120 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 -draft_45277_00121 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 -draft_45277_00122 15,18,20,79,80,89,94,107,123,134,137,141,153,159,190,207,217,225,231,245,264,270,276,356,360,366,381,392,409,429,480,481,497,508,510,516,530,545,547,553,562,605,623,626,643,651,662,671,683,719,722,726,727,734,771,773,776,778,789,795,827,835,891,946,981,1003,1008 -draft_45277_00123 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 -draft_45277_00124 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 -draft_45277_00125 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 -draft_45277_00126 3,15,89,134,138,167,237,245,260,309,405,417,461,508,534,545,688,722,763,772,775,948,1022 -draft_45277_00127 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 -draft_45277_00128 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 -draft_45277_00129 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 -draft_45277_00130 19,20,58,64,94,107,134,141,153,199,207,214,260,269,289,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,654,662,727,762,776,778,789,797,812,833,896,948,968,989,991 -draft_45277_00131 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 -draft_45277_00132 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 -draft_45277_00133 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 -draft_45277_00134 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 -draft_45277_00135 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 -draft_45277_00136 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 -draft_45277_00137 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 -draft_45277_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 -draft_45277_00139 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 -draft_45277_00140 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 -draft_45277_00141 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 -draft_45277_00142 19,36,37,57,105,119,131,134,153,207,211,219,220,240,245,253,262,266,274,292,324,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,563,582,585,588,596,607,615,616,626,647,658,662,668,691,692,701,710,746,757,758,763,775,841,919,934,948,954,968,1006,1018,1024 -draft_45277_00143 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 -draft_45277_00144 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 -draft_45277_00145 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 -draft_45277_00146 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 -draft_45277_00147 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 -draft_45277_00148 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 -draft_45277_00149 8,65,85,89,91,96,134,139,145,153,159,172,179,197,212,311,319,326,351,381,387,390,401,403,405,421,422,442,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,653,678,694,709,710,719,743,747,783,824,880,887,907,935,936,949,968,971,974,975,990,1003 -draft_45277_00150 107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 -draft_45277_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 -draft_45277_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 -draft_45277_00153 64,96,134,141,153,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,714,747,762,778,786,797,812,819,845,867,893,896,939,968,989 -draft_45277_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 -draft_45277_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 -draft_45277_00156 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 -draft_45277_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 -draft_45277_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 -draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 -draft_45277_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 -draft_45277_00162 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 -draft_45277_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 -draft_45277_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 -draft_45277_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 -draft_45277_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 -draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 -draft_45277_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 -draft_45277_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 -draft_45277_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 -draft_45277_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 -draft_45277_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 -draft_45277_00173 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 -draft_45277_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 -draft_45277_00175 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 -draft_45277_00176 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 -draft_45277_00177 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00178 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 -draft_45277_00179 1,15,20,25,26,36,39,49,72,85,87,89,108,134,141,148,151,217,222,233,236,245,255,285,311,315,342,351,357,399,418,463,469,499,508,513,517,555,566,603,610,626,633,719,727,755,762,766,768,772,802,819,822,836,857,870,897,936,948,968,971,1019,1022 -draft_45277_00180 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 -draft_45277_00181 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 -draft_45277_00182 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 -draft_45277_00183 15,20,25,26,49,60,72,85,87,89,116,118,134,141,148,153,222,245,255,258,280,285,291,297,311,315,326,351,357,371,393,399,452,471,477,499,506,508,513,560,566,581,595,603,626,727,755,768,772,801,821,836,849,866,875,898,944,948,950,968,969,1019,1022 -draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00185 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 -draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 -draft_45277_00187 15,25,26,44,85,89,109,134,144,214,222,245,254,274,295,297,311,318,348,351,357,400,472,473,477,494,499,508,540,566,583,586,601,626,654,660,690,692,700,703,755,772,774,787,801,816,818,840,841,894,936,948,963,968,990,1022 -draft_45277_00188 15,20,25,26,36,72,82,85,89,129,134,141,148,222,245,250,255,271,272,291,305,311,315,316,351,357,358,372,399,446,452,499,508,513,566,568,595,603,626,727,755,762,768,772,801,814,836,855,862,875,900,944,948,968,969,978,1019,1022 -draft_45277_00189 15,26,49,67,85,89,93,103,109,134,147,222,245,254,274,285,294,297,343,348,399,400,424,448,454,472,477,499,508,540,566,586,601,609,632,679,703,739,765,772,780,787,801,841,851,879,908,948,963,969,1022 -draft_45277_00190 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 -draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00192 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 -draft_45277_00193 15,20,25,26,72,85,89,92,134,141,148,222,245,255,274,276,284,287,291,311,315,341,351,357,399,418,443,452,458,472,473,499,508,513,566,567,593,595,603,604,623,727,755,762,768,772,801,804,836,841,853,875,915,944,948,963,968,969,1019,1022 -draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 -draft_45277_00195 15,26,49,60,85,89,109,134,222,245,252,254,274,285,290,297,310,316,343,348,400,401,424,437,472,477,499,508,566,586,601,609,626,632,681,690,703,713,739,772,787,801,804,818,841,851,879,936,948,964,969,1022 -draft_45277_00196 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 -draft_45277_00197 4,5,15,20,26,45,49,60,76,80,85,87,89,92,99,108,118,146,153,159,163,207,222,228,231,236,243,252,270,281,285,290,314,316,326,340,351,352,360,366,401,402,408,424,437,479,482,499,508,516,524,530,566,609,626,657,690,713,727,753,759,772,777,802,808,818,851,860,879,936,948,964,969,970,976,987,999,1003,1009,1015,1022 -draft_45277_00198 15,20,26,42,60,76,85,87,89,94,134,146,153,156,163,170,182,207,215,222,223,231,245,252,261,285,290,302,316,371,401,424,437,480,499,503,508,530,540,573,594,609,613,626,644,684,690,697,710,727,729,752,759,762,772,801,802,814,818,860,894,909,928,936,944,948,964,973,976,982 -draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 -draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 -draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 -draft_45277_00202 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 -draft_45277_00203 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 -draft_45277_00204 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 -draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00206 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 -draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 -draft_45277_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 -draft_45277_00210 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 -draft_45277_00211 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv deleted file mode 100644 index ac7397ccf..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 -draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 -draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 -draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 -draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 -draft_45277_00009 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00010 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 -draft_45277_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 -draft_45277_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00015 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 -draft_45277_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00017 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00018 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00019 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 -draft_45277_00022 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 -draft_45277_00025 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 -draft_45277_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 -draft_45277_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 -draft_45277_00030 75,79,82,83,84,85,90,91,92,95,96,100,110,111,117,118,121,122,123,128,129,131,132,136,137,138,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 -draft_45277_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 -draft_45277_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 -draft_45277_00034 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00035 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 -draft_45277_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00040 54,84,86,88,90,93,95,104,111,115,123,131,139,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00042 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 -draft_45277_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 -draft_45277_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00050 74,85,86,93,122,141,148,149,158,160,161 -draft_45277_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00052 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 -draft_45277_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 -draft_45277_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00055 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 -draft_45277_00056 25,43,53,54,66,72,74,77,78,80,84,85,86,89,90,91,93,104,106,112,119,122,123,131,132,136,139,140,142,146,148,149,151,152,154,155,156,157,158,159,160,161,164,166 -draft_45277_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00058 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 -draft_45277_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 -draft_45277_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00061 25,38,43,53,65,77,80,84,92,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 -draft_45277_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 -draft_45277_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00064 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 -draft_45277_00065 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00067 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 -draft_45277_00068 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 -draft_45277_00069 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 -draft_45277_00070 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00071 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00074 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 -draft_45277_00075 54,72,82,84,91,100,104,111,113,127,131,139,143,144,147,150,151,152,153,155,157,158,159,161,162,163,164,165 -draft_45277_00076 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 -draft_45277_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00080 53,74,84,97,104,111,116,123,131,132,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00082 29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00083 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 -draft_45277_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00085 38,54,65,77,79,80,83,93,96,98,105,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 -draft_45277_00086 82,83,90,92,96,100,104,110,111,117,118,121,127,132,137,143,147,151,153,154,156,158,161,164,165 -draft_45277_00087 29,43,48,65,69,89,90,91,95,97,98,102,106,109,112,113,121,124,126,127,130,131,136,137,139,140,143,144,146,148,150,152,153,154,155,156,157,159,160,161,162,163,164,165 -draft_45277_00088 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 -draft_45277_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 -draft_45277_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00092 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 -draft_45277_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00095 54,82,84,92,95,100,104,110,117,123,131,132,133,135,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00096 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 -draft_45277_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 -draft_45277_00098 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00100 54,84,90,95,104,111,113,123,127,131,139,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 -draft_45277_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00106 82,90,91,92,98,100,104,110,111,117,118,121,127,129,132,137,143,147,151,153,154,156,158,161,163,164,165 -draft_45277_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00108 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00109 29,48,49,67,73,81,88,102,106,109,112,114,124,126,128,130,138,146,148,149,153,155,157,159,160,164 -draft_45277_00110 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 -draft_45277_00111 38,65,74,77,79,80,83,85,86,93,96,98,105,120,121,122,133,135,137,142,148,149,151,156,158,160,161,162,163,165 -draft_45277_00112 89,90,104,108,115,123,129,132,136,139,140,146,147,152,154,155,157,159,160,164 -draft_45277_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 -draft_45277_00114 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 -draft_45277_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 -draft_45277_00118 89,104,108,109,114,123,126,129,132,136,139,140,146,153,154,155,157,159,160,164 -draft_45277_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 -draft_45277_00120 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00123 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00125 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 -draft_45277_00126 57,98,108,115,116,118,123,127,132,137,143,147,152,154,157,159,160,163,164,165 -draft_45277_00127 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 -draft_45277_00128 84,92,110,117,151,154,156,158,161,162,163,164,165 -draft_45277_00129 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 -draft_45277_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00131 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00132 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00134 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 -draft_45277_00135 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00137 57,83,96,108,114,116,123,127,128,129,132,137,143,147,152,154,155,157,159,160,164,165 -draft_45277_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 -draft_45277_00139 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 -draft_45277_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00143 65,66,74,85,86,93,95,98,100,108,109,111,112,115,116,121,122,125,126,132,137,138,141,142,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 -draft_45277_00144 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 -draft_45277_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00148 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 -draft_45277_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00150 65,82,83,90,91,93,96,104,105,109,113,121,126,127,131,132,137,139,143,147,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00151 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00152 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 -draft_45277_00154 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00155 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 -draft_45277_00157 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 -draft_45277_00158 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 -draft_45277_00160 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00161 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 -draft_45277_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 -draft_45277_00163 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 -draft_45277_00164 90,93,104,113,123,126,127,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 -draft_45277_00165 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00166 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 -draft_45277_00168 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00169 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00170 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 -draft_45277_00171 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00172 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 -draft_45277_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00174 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00175 90,114,123,139,154,155,157,159,160,162,163,164,165 -draft_45277_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 -draft_45277_00177 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 -draft_45277_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 -draft_45277_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00184 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 -draft_45277_00186 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 -draft_45277_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00191 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00194 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 -draft_45277_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 -draft_45277_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00199 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 -draft_45277_00200 50,53,65,76,80,83,90,96,97,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,152,154,155,156,157,159,160,161,162,164,165 -draft_45277_00201 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 -draft_45277_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 -draft_45277_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 -draft_45277_00209 50,53,65,76,80,83,90,91,96,99,104,105,108,114,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv deleted file mode 100644 index ac7397ccf..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 -draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 -draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 -draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 -draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 -draft_45277_00009 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00010 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 -draft_45277_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 -draft_45277_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00015 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 -draft_45277_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00017 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00018 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00019 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 -draft_45277_00022 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 -draft_45277_00025 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 -draft_45277_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 -draft_45277_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 -draft_45277_00030 75,79,82,83,84,85,90,91,92,95,96,100,110,111,117,118,121,122,123,128,129,131,132,136,137,138,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 -draft_45277_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 -draft_45277_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 -draft_45277_00034 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00035 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 -draft_45277_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00040 54,84,86,88,90,93,95,104,111,115,123,131,139,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00042 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 -draft_45277_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 -draft_45277_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00050 74,85,86,93,122,141,148,149,158,160,161 -draft_45277_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00052 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 -draft_45277_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 -draft_45277_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00055 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 -draft_45277_00056 25,43,53,54,66,72,74,77,78,80,84,85,86,89,90,91,93,104,106,112,119,122,123,131,132,136,139,140,142,146,148,149,151,152,154,155,156,157,158,159,160,161,164,166 -draft_45277_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00058 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 -draft_45277_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 -draft_45277_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00061 25,38,43,53,65,77,80,84,92,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 -draft_45277_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 -draft_45277_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00064 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 -draft_45277_00065 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00067 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 -draft_45277_00068 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 -draft_45277_00069 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 -draft_45277_00070 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00071 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00074 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 -draft_45277_00075 54,72,82,84,91,100,104,111,113,127,131,139,143,144,147,150,151,152,153,155,157,158,159,161,162,163,164,165 -draft_45277_00076 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 -draft_45277_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00080 53,74,84,97,104,111,116,123,131,132,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00082 29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00083 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 -draft_45277_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00085 38,54,65,77,79,80,83,93,96,98,105,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 -draft_45277_00086 82,83,90,92,96,100,104,110,111,117,118,121,127,132,137,143,147,151,153,154,156,158,161,164,165 -draft_45277_00087 29,43,48,65,69,89,90,91,95,97,98,102,106,109,112,113,121,124,126,127,130,131,136,137,139,140,143,144,146,148,150,152,153,154,155,156,157,159,160,161,162,163,164,165 -draft_45277_00088 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 -draft_45277_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 -draft_45277_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00092 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 -draft_45277_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00095 54,82,84,92,95,100,104,110,117,123,131,132,133,135,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00096 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 -draft_45277_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 -draft_45277_00098 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00100 54,84,90,95,104,111,113,123,127,131,139,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 -draft_45277_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00106 82,90,91,92,98,100,104,110,111,117,118,121,127,129,132,137,143,147,151,153,154,156,158,161,163,164,165 -draft_45277_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00108 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00109 29,48,49,67,73,81,88,102,106,109,112,114,124,126,128,130,138,146,148,149,153,155,157,159,160,164 -draft_45277_00110 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 -draft_45277_00111 38,65,74,77,79,80,83,85,86,93,96,98,105,120,121,122,133,135,137,142,148,149,151,156,158,160,161,162,163,165 -draft_45277_00112 89,90,104,108,115,123,129,132,136,139,140,146,147,152,154,155,157,159,160,164 -draft_45277_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 -draft_45277_00114 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 -draft_45277_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 -draft_45277_00118 89,104,108,109,114,123,126,129,132,136,139,140,146,153,154,155,157,159,160,164 -draft_45277_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 -draft_45277_00120 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00123 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00125 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 -draft_45277_00126 57,98,108,115,116,118,123,127,132,137,143,147,152,154,157,159,160,163,164,165 -draft_45277_00127 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 -draft_45277_00128 84,92,110,117,151,154,156,158,161,162,163,164,165 -draft_45277_00129 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 -draft_45277_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00131 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00132 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00134 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 -draft_45277_00135 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00137 57,83,96,108,114,116,123,127,128,129,132,137,143,147,152,154,155,157,159,160,164,165 -draft_45277_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 -draft_45277_00139 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 -draft_45277_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00143 65,66,74,85,86,93,95,98,100,108,109,111,112,115,116,121,122,125,126,132,137,138,141,142,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 -draft_45277_00144 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 -draft_45277_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00148 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 -draft_45277_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00150 65,82,83,90,91,93,96,104,105,109,113,121,126,127,131,132,137,139,143,147,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00151 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00152 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 -draft_45277_00154 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00155 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 -draft_45277_00157 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 -draft_45277_00158 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 -draft_45277_00160 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00161 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 -draft_45277_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 -draft_45277_00163 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 -draft_45277_00164 90,93,104,113,123,126,127,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 -draft_45277_00165 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00166 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 -draft_45277_00168 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00169 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00170 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 -draft_45277_00171 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00172 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 -draft_45277_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00174 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00175 90,114,123,139,154,155,157,159,160,162,163,164,165 -draft_45277_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 -draft_45277_00177 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 -draft_45277_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 -draft_45277_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00184 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 -draft_45277_00186 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 -draft_45277_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00191 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00194 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 -draft_45277_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 -draft_45277_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00199 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 -draft_45277_00200 50,53,65,76,80,83,90,96,97,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,152,154,155,156,157,159,160,161,162,164,165 -draft_45277_00201 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 -draft_45277_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 -draft_45277_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 -draft_45277_00209 50,53,65,76,80,83,90,91,96,99,104,105,108,114,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv deleted file mode 100644 index 8bc22f761..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 -draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 -draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 -draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 -draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 -draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 -draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 -draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 -draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 -draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 -draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 -draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 -draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 -draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 -draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 -draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 -draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 -draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 -draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 -draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 -draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 -draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 -draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 -draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 -draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 -draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 -draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 -draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 -draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 -draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 -draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 -draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 -draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 -draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 -draft_45277_00050 10,15,284,286,366,375,391,392,541 -draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 -draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 -draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 -draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 -draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 -draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 -draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 -draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 -draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 -draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 -draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 -draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 -draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 -draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 -draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 -draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 -draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 -draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 -draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 -draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 -draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 -draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 -draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 -draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 -draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 -draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 -draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 -draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 -draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 -draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 -draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 -draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 -draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 -draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 -draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 -draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 -draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 -draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 -draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 -draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 -draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 -draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 -draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 -draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 -draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 -draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 -draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 -draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 -draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 -draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 -draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 -draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 -draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 -draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 -draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 -draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 -draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 -draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 -draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 -draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 -draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 -draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 -draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 -draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 -draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 -draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 -draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 -draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 -draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 -draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 -draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 -draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 -draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 -draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 -draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 -draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 -draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 -draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 -draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 -draft_45277_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 -draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 -draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 -draft_45277_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 -draft_45277_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 -draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 -draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 -draft_45277_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 -draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv deleted file mode 100644 index 8bc22f761..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 -draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 -draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 -draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 -draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 -draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 -draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 -draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 -draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 -draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 -draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 -draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 -draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 -draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 -draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 -draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 -draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 -draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 -draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 -draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 -draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 -draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 -draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 -draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 -draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 -draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 -draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 -draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 -draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 -draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 -draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 -draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 -draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 -draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 -draft_45277_00050 10,15,284,286,366,375,391,392,541 -draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 -draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 -draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 -draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 -draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 -draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 -draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 -draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 -draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 -draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 -draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 -draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 -draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 -draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 -draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 -draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 -draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 -draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 -draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 -draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 -draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 -draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 -draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 -draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 -draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 -draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 -draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 -draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 -draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 -draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 -draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 -draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 -draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 -draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 -draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 -draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 -draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 -draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 -draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 -draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 -draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 -draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 -draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 -draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 -draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 -draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 -draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 -draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 -draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 -draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 -draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 -draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 -draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 -draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 -draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 -draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 -draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 -draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 -draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 -draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 -draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 -draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 -draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 -draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 -draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 -draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 -draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 -draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 -draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 -draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 -draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 -draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 -draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 -draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 -draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 -draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 -draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 -draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 -draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 -draft_45277_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 -draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 -draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 -draft_45277_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 -draft_45277_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 -draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 -draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 -draft_45277_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 -draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_gradient.tsv b/processed_data/draft_45277/draft_45277_gradient.tsv deleted file mode 100644 index 5cd2c47f3..000000000 --- a/processed_data/draft_45277/draft_45277_gradient.tsv +++ /dev/null @@ -1,5 +0,0 @@ -t [min] flow rate [ml/min] A [%] B [%] -0 0.3 95 5 -1 0.3 95 5 -20 0.3 5 95 -25 0.3 5 95 diff --git a/processed_data/draft_45277/draft_45277_info.tsv b/processed_data/draft_45277/draft_45277_info.tsv deleted file mode 100644 index f99f8250a..000000000 --- a/processed_data/draft_45277/draft_45277_info.tsv +++ /dev/null @@ -1,2 +0,0 @@ -id authors name url comment -draft_45277 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid.,submitted by:Fangyuan Sun diff --git a/processed_data/draft_45277/draft_45277_metadata.tsv b/processed_data/draft_45277/draft_45277_metadata.tsv deleted file mode 100644 index f843c12ea..000000000 --- a/processed_data/draft_45277/draft_45277_metadata.tsv +++ /dev/null @@ -1,2 +0,0 @@ -id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D -draft_45277 Merck Supelco Ascentis Express C18 L1 100 2.1 2.7 40 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 diff --git a/processed_data/draft_45277/draft_45277_metadata.yaml b/processed_data/draft_45277/draft_45277_metadata.yaml deleted file mode 100644 index b54a4dddb..000000000 --- a/processed_data/draft_45277/draft_45277_metadata.yaml +++ /dev/null @@ -1,20 +0,0 @@ -id: draft_45277 -column: - name: Merck Supelco Ascentis Express C18 - usp.code: L1 - length: 100 - id: 2.1 - particle.size: 2.7 - temperature: 40 - flowrate: 0.3 - t0: 0.735 -eluent: - A: - h2o: 100 - nh4form: - value: 5 - unit: mM - B: - meoh: 100 - nh4form: - unit: mM diff --git a/processed_data/draft_45277/draft_45277_report_canonical.pdf b/processed_data/draft_45277/draft_45277_report_canonical.pdf deleted file mode 100644 index 09604fe73a6f4ee738b22581b246f2cae0d90f3b..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 21016 zcma&O1ymi+vi41ali=>|?(P!Y-QC@tAi>=wKya7fPH>0d!QI_0z_&Na|D1F0eZRZz zT3I`r?s}?vdU|Hn{?$yA%8Q86GSacYkos@>Z~0I7Pis5EFcL5j*cn>F@bJLU3p<(^ zI9u4+iWoSX5KxG4F)=W)FfuZ-GB7i8GBQxY(975v|Nr(WTR2+-REh+j91ZNvEsUH9 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.../draft_45277_report_isomeric.pdf | Bin 0 -> 16659 bytes .../draft_45277_rtdata_canonical_success.tsv | 212 ++++++++++++++++++ .../draft_45277_rtdata_isomeric_failed.tsv | 98 ++++++++ .../draft_45277_rtdata_isomeric_success.tsv | 115 ++++++++++ .../draft_45277_validation_qspr_outliers.tsv | 7 + processed_data/studies.tsv | 2 +- raw_data/studies.tsv | 2 +- 20 files changed, 1771 insertions(+), 2 deletions(-) create mode 100644 processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_descriptors_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_gradient.tsv create mode 100644 processed_data/draft_45277/draft_45277_info.tsv create mode 100644 processed_data/draft_45277/draft_45277_metadata.tsv create mode 100644 processed_data/draft_45277/draft_45277_metadata.yaml create mode 100644 processed_data/draft_45277/draft_45277_report_canonical.pdf create mode 100644 processed_data/draft_45277/draft_45277_report_isomeric.pdf create mode 100644 processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv create mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv create mode 100644 processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv diff --git a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv new file mode 100644 index 000000000..894e1e9bd --- /dev/null +++ b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv @@ -0,0 +1,212 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +draft_45277_00001 11.996461355192546 15.998258892041632 -0.41987178406289943 0.08163862365492416 3.8393010800953498 6.258786191060367 1 -1.5940000000000003 105.13580494141051 0 4 1.5699999999999998 0 7 6 1 18 0 0 -1.2945999999999998 1.6759891599999994 27.278000000000002 0 0 0 0 0 0 0 0 0 0 0 0 0.499529027207709 22 56 4 12.83378877709787 1.8333983967282672 7.6560921676911455 4.802538777097871 2.853553390593274 3.584962500721156 52.489999999999995 1 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107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 +draft_45277_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 +draft_45277_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +draft_45277_00153 64,65,96,134,141,153,173,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,701,714,747,762,778,786,797,812,867,893,896,968,989 +draft_45277_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +draft_45277_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +draft_45277_00156 4,15,35,44,73,89,110,128,129,134,153,170,192,197,200,206,210,215,220,226,245,260,264,282,299,303,311,316,320,334,336,347,353,362,369,392,399,405,423,435,444,461,473,486,504,508,512,515,534,540,547,549,550,555,562,575,579,618,624,626,628,636,640,656,657,660,661,683,701,705,709,719,724,727,734,778,785,787,791,793,796,816,863,882,904,936,948,962,968,974,994,1023 +draft_45277_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +draft_45277_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +draft_45277_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +draft_45277_00162 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 +draft_45277_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +draft_45277_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 +draft_45277_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +draft_45277_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 +draft_45277_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +draft_45277_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +draft_45277_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 +draft_45277_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +draft_45277_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +draft_45277_00173 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +draft_45277_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 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20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +draft_45277_00181 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 +draft_45277_00182 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 +draft_45277_00183 7,15,20,21,25,26,49,60,88,89,99,117,134,148,153,214,222,236,245,255,285,288,293,308,314,315,326,338,342,351,357,399,492,499,508,513,538,547,566,603,615,618,626,633,698,727,742,744,772,782,789,816,821,847,866,877,898,948,949,968,1021,1022 +draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00185 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +draft_45277_00187 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 +draft_45277_00188 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 +draft_45277_00189 15,26,67,75,89,93,104,134,159,201,214,222,245,254,285,288,292,399,400,414,416,440,453,485,492,499,508,540,566,586,609,639,666,676,679,697,698,703,746,757,765,772,780,782,783,851,948,949,951,963,1022 +draft_45277_00190 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +draft_45277_00192 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 +draft_45277_00193 7,10,15,20,21,25,26,49,88,89,92,100,117,134,148,199,209,214,222,236,245,255,274,278,288,308,315,351,357,376,399,400,443,458,473,492,499,508,513,547,566,598,603,604,637,727,742,744,762,770,772,782,816,898,902,948,949,968,976,1022 +draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +draft_45277_00195 15,26,60,75,89,104,134,159,214,222,244,245,254,285,288,292,400,401,414,417,453,492,499,508,566,586,605,609,626,655,659,666,676,690,692,698,703,746,757,762,772,782,783,818,851,936,948,949,951,952,964,1022 +draft_45277_00196 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 +draft_45277_00197 15,20,26,44,45,60,80,89,92,99,146,153,159,161,207,222,229,231,236,243,244,270,285,314,343,360,366,371,379,401,414,417,453,479,489,492,499,508,516,530,566,605,609,613,618,621,623,626,655,659,670,674,686,690,726,727,758,762,769,772,793,795,802,806,808,818,851,873,883,936,948,949,952,964,970,971,983,1009,1022 +draft_45277_00198 15,20,26,60,89,94,124,134,153,182,207,222,231,244,245,261,285,288,302,330,338,343,401,453,458,470,480,492,494,499,508,530,533,536,540,586,605,609,618,626,644,655,670,677,678,688,690,726,727,752,762,772,795,802,806,814,818,894,907,921,936,944,948,961,964,983 +draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 +draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 +draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 +draft_45277_00202 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 +draft_45277_00203 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 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20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +draft_45277_00121 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +draft_45277_00122 15,18,20,79,80,89,94,107,123,134,137,141,153,159,190,207,217,225,231,245,264,270,276,356,360,366,381,392,409,429,480,481,497,508,510,516,530,545,547,553,562,605,623,626,643,651,662,671,683,719,722,726,727,734,771,773,776,778,789,795,827,835,891,946,981,1003,1008 +draft_45277_00124 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 +draft_45277_00130 19,20,58,64,94,107,134,141,153,199,207,214,260,269,289,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,654,662,727,762,776,778,789,797,812,833,896,948,968,989,991 +draft_45277_00133 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +draft_45277_00136 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +draft_45277_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +draft_45277_00140 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +draft_45277_00141 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 +draft_45277_00142 19,36,37,57,105,119,131,134,153,207,211,219,220,240,245,253,262,266,274,292,324,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,563,582,585,588,596,607,615,616,626,647,658,662,668,691,692,701,710,746,757,758,763,775,841,919,934,948,954,968,1006,1018,1024 +draft_45277_00145 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +draft_45277_00146 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +draft_45277_00147 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +draft_45277_00149 8,65,85,89,91,96,134,139,145,153,159,172,179,197,212,311,319,326,351,381,387,390,401,403,405,421,422,442,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,653,678,694,709,710,719,743,747,783,824,880,887,907,935,936,949,968,971,974,975,990,1003 +draft_45277_00153 64,96,134,141,153,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,714,747,762,778,786,797,812,819,845,867,893,896,939,968,989 +draft_45277_00156 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 +draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +draft_45277_00162 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 +draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 +draft_45277_00173 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +draft_45277_00176 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 +draft_45277_00178 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +draft_45277_00179 1,15,20,25,26,36,39,49,72,85,87,89,108,134,141,148,151,217,222,233,236,245,255,285,311,315,342,351,357,399,418,463,469,499,508,513,517,555,566,603,610,626,633,719,727,755,762,766,768,772,802,819,822,836,857,870,897,936,948,968,971,1019,1022 +draft_45277_00180 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +draft_45277_00181 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 +draft_45277_00182 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 +draft_45277_00183 15,20,25,26,49,60,72,85,87,89,116,118,134,141,148,153,222,245,255,258,280,285,291,297,311,315,326,351,357,371,393,399,452,471,477,499,506,508,513,560,566,581,595,603,626,727,755,768,772,801,821,836,849,866,875,898,944,948,950,968,969,1019,1022 +draft_45277_00185 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +draft_45277_00187 15,25,26,44,85,89,109,134,144,214,222,245,254,274,295,297,311,318,348,351,357,400,472,473,477,494,499,508,540,566,583,586,601,626,654,660,690,692,700,703,755,772,774,787,801,816,818,840,841,894,936,948,963,968,990,1022 +draft_45277_00188 15,20,25,26,36,72,82,85,89,129,134,141,148,222,245,250,255,271,272,291,305,311,315,316,351,357,358,372,399,446,452,499,508,513,566,568,595,603,626,727,755,762,768,772,801,814,836,855,862,875,900,944,948,968,969,978,1019,1022 +draft_45277_00189 15,26,49,67,85,89,93,103,109,134,147,222,245,254,274,285,294,297,343,348,399,400,424,448,454,472,477,499,508,540,566,586,601,609,632,679,703,739,765,772,780,787,801,841,851,879,908,948,963,969,1022 +draft_45277_00190 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 +draft_45277_00192 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 +draft_45277_00193 15,20,25,26,72,85,89,92,134,141,148,222,245,255,274,276,284,287,291,311,315,341,351,357,399,418,443,452,458,472,473,499,508,513,566,567,593,595,603,604,623,727,755,762,768,772,801,804,836,841,853,875,915,944,948,963,968,969,1019,1022 +draft_45277_00195 15,26,49,60,85,89,109,134,222,245,252,254,274,285,290,297,310,316,343,348,400,401,424,437,472,477,499,508,566,586,601,609,626,632,681,690,703,713,739,772,787,801,804,818,841,851,879,936,948,964,969,1022 +draft_45277_00196 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 +draft_45277_00197 4,5,15,20,26,45,49,60,76,80,85,87,89,92,99,108,118,146,153,159,163,207,222,228,231,236,243,252,270,281,285,290,314,316,326,340,351,352,360,366,401,402,408,424,437,479,482,499,508,516,524,530,566,609,626,657,690,713,727,753,759,772,777,802,808,818,851,860,879,936,948,964,969,970,976,987,999,1003,1009,1015,1022 +draft_45277_00198 15,20,26,42,60,76,85,87,89,94,134,146,153,156,163,170,182,207,215,222,223,231,245,252,261,285,290,302,316,371,401,424,437,480,499,503,508,530,540,573,594,609,613,626,644,684,690,697,710,727,729,752,759,762,772,801,802,814,818,860,894,909,928,936,944,948,964,973,976,982 +draft_45277_00202 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 +draft_45277_00203 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 +draft_45277_00204 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 +draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00206 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 +draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 +draft_45277_00210 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 +draft_45277_00211 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..ac7397ccf --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +draft_45277_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 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21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +draft_45277_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +draft_45277_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +draft_45277_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +draft_45277_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 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53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +draft_45277_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +draft_45277_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 +draft_45277_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +draft_45277_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +draft_45277_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +draft_45277_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +draft_45277_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +draft_45277_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +draft_45277_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +draft_45277_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +draft_45277_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +draft_45277_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +draft_45277_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +draft_45277_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +draft_45277_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +draft_45277_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +draft_45277_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +draft_45277_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +draft_45277_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +draft_45277_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +draft_45277_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +draft_45277_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +draft_45277_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 +draft_45277_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +draft_45277_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +draft_45277_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +draft_45277_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +draft_45277_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +draft_45277_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +draft_45277_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 +draft_45277_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +draft_45277_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 +draft_45277_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +draft_45277_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..8bc22f761 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 +draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 +draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +draft_45277_00050 10,15,284,286,366,375,391,392,541 +draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 +draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 +draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 +draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 +draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 +draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 +draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 +draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 +draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 +draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 +draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 +draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 +draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 +draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 +draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 +draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 +draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 +draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 +draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 +draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 +draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 +draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 +draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 +draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 +draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 +draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 +draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 +draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 +draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 +draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 +draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 +draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 +draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 +draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 +draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 +draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 +draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 +draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 +draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 +draft_45277_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 +draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 +draft_45277_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 +draft_45277_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +draft_45277_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 +draft_45277_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..be2c5b8dd --- /dev/null +++ b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,115 @@ +id bits.on +draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 +draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 +draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 +draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +draft_45277_00196 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10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 +draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_gradient.tsv b/processed_data/draft_45277/draft_45277_gradient.tsv new file mode 100644 index 000000000..5cd2c47f3 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_gradient.tsv @@ -0,0 +1,5 @@ +t [min] flow rate [ml/min] A [%] B [%] +0 0.3 95 5 +1 0.3 95 5 +20 0.3 5 95 +25 0.3 5 95 diff --git a/processed_data/draft_45277/draft_45277_info.tsv b/processed_data/draft_45277/draft_45277_info.tsv new file mode 100644 index 000000000..c9aca01e5 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_info.tsv @@ -0,0 +1,2 @@ +id authors name url comment +draft_45277 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun diff --git a/processed_data/draft_45277/draft_45277_metadata.tsv b/processed_data/draft_45277/draft_45277_metadata.tsv new file mode 100644 index 000000000..f843c12ea --- /dev/null +++ b/processed_data/draft_45277/draft_45277_metadata.tsv @@ -0,0 +1,2 @@ +id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D +draft_45277 Merck Supelco Ascentis Express C18 L1 100 2.1 2.7 40 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 diff --git a/processed_data/draft_45277/draft_45277_metadata.yaml b/processed_data/draft_45277/draft_45277_metadata.yaml new file mode 100644 index 000000000..b54a4dddb --- /dev/null +++ b/processed_data/draft_45277/draft_45277_metadata.yaml @@ -0,0 +1,20 @@ +id: draft_45277 +column: + name: Merck Supelco Ascentis Express C18 + usp.code: L1 + length: 100 + 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a/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv b/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv new file mode 100644 index 000000000..4d9cddf2c --- /dev/null +++ b/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv @@ -0,0 +1,212 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +draft_45277_00001 C4H11NO2 0.6 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +draft_45277_00002 C5H9N3 0.6 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +draft_45277_00003 C10H19N3O5 0.6 C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18) OAMLVOVXNKILLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +draft_45277_00004 C6H14N2O3 0.6 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00005 C6H11N3O 0.6 C1=C(NC=N1)CC(CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9) ZQISRDCJNBUVMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +draft_45277_00006 C5H12N2O2 0.6 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00007 C6H14N2O2 0.6 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00008 C2H7NO2S 0.7 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +draft_45277_00009 C4H9NO2 0.7 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +draft_45277_00010 C8H12N2O2 0.7 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) +draft_45277_00011 C9H17NO4 0.7 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +draft_45277_00012 C4H9NO2 0.7 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00013 C6H14NO8P 0.7 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +draft_45277_00014 C7H14N2O4S 0.7 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00015 C7H8N2O 0.7 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +draft_45277_00016 C10H14N5O8P 0.7 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18) RQFCJASXJCIDSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00017 C4H9NO2 0.7 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00018 C9H13NO3 0.7 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +draft_45277_00019 C5H11N3O2 0.7 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +draft_45277_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00021 C5H11NO2 0.7 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00022 C5H11NO2 0.7 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +draft_45277_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00024 C9H14N4O3 0.7 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +draft_45277_00025 C3H7NO2 0.7 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00026 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00027 C7H11N3O2 0.7 CN1C=C(N=C1)CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) BRMWTNUJHUMWMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00028 C3H7NO3 0.7 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00029 C5H9NO2 0.7 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00030 C7H12N2O3 0.7 C1CC(N(C1)C(=O)CN)C(=O)O InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12) KZNQNBZMBZJQJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +draft_45277_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)C(C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10) VBOQYPQEPHKASR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00032 C6H9N3O2 0.7 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +draft_45277_00034 C5H11NO2 0.7 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00035 C2H7N3 0.7 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +draft_45277_00036 C4H9NO3 0.7 C(CO)C(C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00037 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00038 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00039 C5H12O5 0.7 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00040 C4H9NO2S 0.7 CSCC(C(=O)O)N InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) IDIDJDIHTAOVLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00041 C5H9NO4 0.7 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00042 C7H14N2O4 0.7 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00043 C6H13O9P 0.7 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +draft_45277_00044 C4H9NO3 0.7 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00045 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +draft_45277_00046 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) removed another duplicate entry +draft_45277_00047 C9H14N3O8P 0.7 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) IERHLVCPSMICTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +draft_45277_00048 C11H19NO9 0.7 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +draft_45277_00049 C6H13N3O3 0.7 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00050 C3H9N 0.7 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) +draft_45277_00051 C7H11N3O2 0.7 CN1C=NC=C1CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) JDHILDINMRGULE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00052 C2H7NO3S 0.7 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) +draft_45277_00053 C12H22O11 0.7 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +draft_45277_00054 C4H9NO2 0.7 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00055 C3H9NO 0.7 C[N+](C)(C)[O-] InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 UYPYRKYUKCHHIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Aminoxides (CHEMONTID:0003993) Trialkyl amine oxides (CHEMONTID:0004184) NA (NA) +draft_45277_00056 C10H19N5O7 0.7 CN(C)C(=N)N=C(N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7.C4H11N5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-9(2)4(7)8-3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H3,(H5,5,6,7,8) AFIHOTTTWXQFDO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) +draft_45277_00057 C9H13N2O9P 0.7 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18) DJJCXFVJDGTHFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +draft_45277_00058 C4H4N2O2 0.7 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +draft_45277_00059 C6H6N2O2 0.7 C1=C(NC=N1)C=CC(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) LOIYMIARKYCTBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +draft_45277_00060 C9H13N3O4 0.7 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00061 C4H6N4O 0.7 C1=C(N=C(NC1=O)N)N InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9) SWELIMKTDYHAOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +draft_45277_00062 C3H7NO2S 0.7 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00063 C10H13N4O8P 0.8 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00064 C5H5N5 0.8 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) +draft_45277_00065 C4H7NO3 0.8 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00066 C10H17N3O6S 0.8 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) +draft_45277_00067 C6H7N5 0.9 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +draft_45277_00068 C7H5NO4 0.9 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +draft_45277_00069 C6H5NO2 0.9 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +draft_45277_00070 C10H12N2O4 1 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) +draft_45277_00071 C6H13NO2 1 C(CCC(=O)O)CCN InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) SLXKOJJOQWFEFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +draft_45277_00072 C10H14N5O7P 1 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +draft_45277_00073 C9H11NO3 1 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00074 C5H11NO2 1 CC(C)(C(=O)O)NC InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) DLAMVQGYEVKIRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00075 C8H11NO2 1 C1=CC(=C(C=C1CCN)O)O InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) Catecholamines and derivatives (CHEMONTID:0000182) +draft_45277_00076 C6H5NO2 1 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +draft_45277_00077 C9H13NO2 1 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +draft_45277_00078 C10H15N2O8P 1.1 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18) GYOZYWVXFNDGLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +draft_45277_00079 C6H13NO2 1.1 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00080 C6H13NO2 1.2 CC(C)C(CC(=O)O)N InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) GLUJNGJDHCTUJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +draft_45277_00081 C6H13NO2 1.2 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00082 C10H12N5O6P 1.2 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +draft_45277_00083 C8H11NO 1.2 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +draft_45277_00084 C6H13NO2 1.3 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00085 C6H7N5 1.3 CNC1=NC=NC2=C1NC=N2 InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) CKOMXBHMKXXTNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +draft_45277_00086 C4H7NO 1.3 C1CC(=O)NC1 InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) HNJBEVLQSNELDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +draft_45277_00087 C8H10NO6P 1.3 CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) NGVDGCNFYWLIFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +draft_45277_00088 C5H4N4 1.3 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +draft_45277_00089 C9H12N2O5 1.3 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15) MXHRCPNRJAMMIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00090 C6H13NO2 1.4 CCCCC(C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) LRQKBLKVPFOOQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00091 C5H9NO3S 1.4 CC(=O)NC(CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9) PWKSKIMOESPYIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00092 C6H5NO3 1.4 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +draft_45277_00093 C10H13N5O5 1.5 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00094 C10H12N4O5 1.5 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00095 C9H10N2O3 1.6 C1=CC(=CC=C1C(=O)NCC(=O)O)N InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) HSMNQINEKMPTIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +draft_45277_00096 C10H12N2O 1.6 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +draft_45277_00097 C10H12N2O 1.6 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +draft_45277_00098 C9H13NO2 1.7 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +draft_45277_00099 C10H12N4O4 1.7 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) VGONTNSXDCQUGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +draft_45277_00100 C9H11NO3 1.7 C1=CC=C(C(=C1)CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) WRFPVMFCRNYQNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00101 C10H13N5O4 1.7 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +draft_45277_00102 C10H12N5O6P 1.8 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +draft_45277_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00104 C10H12N4O6 1.9 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00105 C12H13N5O3 2 C1C(C(OC1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2 XQQIMTUYVDUWKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry +draft_45277_00106 C5H9NO 2.1 C1CCNC(=O)C1 InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) XUWHAWMETYGRKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) NA (NA) NA (NA) +draft_45277_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00108 C7H8N4O3 2.2 CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14) UARKDOLETOEBCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +draft_45277_00109 C4H10O3PS 2.3 CCOP(=S)([O-])OCC InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1 PKUWKAXTAVNIJR-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +draft_45277_00110 C6H8N2O2 2.3 CN1C=CC(=O)N(C1=O)C InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +draft_45277_00111 C7H9N5 2.4 CN(C)C1=NC=NC2=C1NC=N2 InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11) BVIAOQMSVZHOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +draft_45277_00112 C7H10O4 2.5 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +draft_45277_00113 C9H13NO 2.6 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +draft_45277_00114 C7H8N4O3 2.6 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +draft_45277_00115 C6H11NO3S 2.6 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00116 C9H17NO5 2.7 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +draft_45277_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +draft_45277_00118 C5H8O4 2.8 CCOC(=O)CC(=O)O InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) HGINADPHJQTSKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +draft_45277_00119 C13H22N4O3S 2.8 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +draft_45277_00120 C14H22N2O3 2.8 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +draft_45277_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +draft_45277_00122 C16H28N4O4S 3.3 C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24) BAQMYDQNMFBZNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +draft_45277_00123 C7H13NO3 3.4 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +draft_45277_00125 C10H12N2 3.4 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +draft_45277_00126 C6H10O2 3.5 CC1CCCC(=O)O1 InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 RZTOWFMDBDPERY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +draft_45277_00127 C7H12O3 3.6 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +draft_45277_00128 C7H7NO 3.6 C1=CC=C(C=C1)C(=O)N InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +draft_45277_00129 C8H6O4 3.8 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +draft_45277_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16) KVNPSKDDJARYKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +draft_45277_00131 C9H9NO3 3.9 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +draft_45277_00132 C12H14N2O2 4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +draft_45277_00133 C16H18O9 4 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +draft_45277_00134 C10H7NO2 4.1 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +draft_45277_00135 C8H10N4O3 4.1 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +draft_45277_00136 C11H15N5O3S 4.3 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +draft_45277_00137 C6H10O2 4.3 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +draft_45277_00138 C9H8O4 4.5 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +draft_45277_00139 C10H11NO3 4.6 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00140 C15H14O6 5.2 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +draft_45277_00141 C10H16N2O3S 5.3 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) YBJHBAHKTGYVGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +draft_45277_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29) FVTCRASFADXXNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +draft_45277_00143 C17H22N2O 5.8 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +draft_45277_00144 C12H11N7 5.8 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +draft_45277_00145 C14H18N2O5 5.9 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +draft_45277_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +draft_45277_00147 C11H13NO3 6.4 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00148 C11H11NO3 6.4 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +draft_45277_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) SCNILGOVBBRMBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00150 C11H13NO2 7.1 COC1=CC2=C(C=C1)NC=C2CCO InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3 QLWKTGDEPLRFAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +draft_45277_00151 C8H14O4 7.2 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +draft_45277_00152 C13H16N2O2 7.4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +draft_45277_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)CC(CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2 UDQCRUSSQAXPJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +draft_45277_00154 C14H6O8 8.3 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) +draft_45277_00155 C9H11NO2 8.4 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +draft_45277_00156 C28H34O15 8.7 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 QUQPHWDTPGMPEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +draft_45277_00157 C11H11NO2 9.2 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +draft_45277_00158 C16H21NO2 9.2 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +draft_45277_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14) PLVPPLCLBIEYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +draft_45277_00160 C9H16O4 9.3 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +draft_45277_00161 C17H21NO 9.5 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +draft_45277_00162 C18H25NO 9.5 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +draft_45277_00163 C8H7NO 9.8 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +draft_45277_00164 C10H12O3 9.9 COC1=CC=CC(=C1)CCC(=O)O InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) BJJQJLOZWBZEGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +draft_45277_00165 C15H10O4 9.9 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +draft_45277_00166 C17H19N3O3S 10.3 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +draft_45277_00167 C10H10O3 10.4 COC1=CC=C(C=C1)C=CC(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12) AFDXODALSZRGIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +draft_45277_00168 C15H10O6 10.8 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +draft_45277_00169 C27H38N2O4 10.8 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +draft_45277_00170 C15H14O5 10.9 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +draft_45277_00171 C15H10O5 11 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +draft_45277_00172 C19H24N2 11.4 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +draft_45277_00173 C21H30O5 11.4 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00174 C15H10O6 11.6 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +draft_45277_00175 C10H12O2 11.7 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +draft_45277_00176 C10H14O 12.5 CC1=CCC(CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 ULDHMXUKGWMISQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +draft_45277_00177 C11H20O4 12.6 C(CCCCC(=O)O)CCCCC(=O)O InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15) LWBHHRRTOZQPDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +draft_45277_00178 C21H30O4 12.8 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00179 C21H30O3 13.2 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3 BFZHCUBIASXHPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +draft_45277_00180 C14H14O3 13.4 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +draft_45277_00181 C19H26O2 13.5 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 AEMFNILZOJDQLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00182 C20H24O2 13.7 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3 BFPYWIDHMRZLRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +draft_45277_00183 C21H30O3 13.9 CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3 ZESRJSPZRDMNHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00184 C12H22O4 13.9 C(CCCCCC(=O)O)CCCCC(=O)O InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16) TVIDDXQYHWJXFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +draft_45277_00185 C22H28O3 14 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +draft_45277_00186 C12H24O3 14.2 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +draft_45277_00187 C19H28O2 14.5 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 FMGSKLZLMKYGDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00188 C21H30O3 14.5 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3 DBPWSSGDRRHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +draft_45277_00189 C19H28O2 14.8 CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3 RAJWOBJTTGJROA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00190 C26H45NO7S 14.9 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34) WBWWGRHZICKQGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +draft_45277_00191 C13H24O4 15 C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) DXNCZXXFRKPEPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +draft_45277_00192 C26H43NO6 15.6 CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33) RFDAIACWWDREDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +draft_45277_00193 C21H28O2 15.6 CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3 VRRHHTISESGZFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) +draft_45277_00194 C13H18O2 16 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +draft_45277_00195 C19H30O2 16.2 CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3 QGXBDMJGAMFCBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00196 C22H27NO2 16.2 CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3 POZRVZJJTULAOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +draft_45277_00197 C26H45NO6S 16.3 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33) AWDRATDZQPNJFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +draft_45277_00198 C24H38O4 16.4 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28) DXOCDBGWDZAYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +draft_45277_00199 C12H24O3 16.5 CCCCCCCCCC(CC(=O)O)O InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) MUCMKTPAZLSKTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +draft_45277_00200 C34H38N4O6 16.7 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44) KFKRXESVMDBTNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +draft_45277_00201 C36H38N4O8 17 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) VCCUOZSDXVZCSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +draft_45277_00202 C18H39NO2 18 CCCCCCCCCCCCCCCC(C(CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 OTKJDMGTUTTYMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +draft_45277_00203 C24H40O4 18 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) RUDATBOHQWOJDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +draft_45277_00204 C30H46O4 18.9 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +draft_45277_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00206 C30H50O2 20.2 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3 XUARCIYIVXVTAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +draft_45277_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 NCYCYZXNIZJOKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00209 C34H38N4O4 20.7 CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42) NCAJWYASAWUEBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +draft_45277_00210 C27H44O2 21.7 CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3 YIKKMWSQVKJCOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +draft_45277_00211 C27H44O 25 CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3 NYOXRYYXRWJDKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv b/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv new file mode 100644 index 000000000..b2c1c1bb3 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv @@ -0,0 +1,98 @@ +id name formula rt smiles.std status inchi.std inchikey.std +draft_45277_00001 C4H11NO2 0.6 missing SMILES +draft_45277_00002 C5H9N3 0.6 missing SMILES +draft_45277_00008 C2H7NO2S 0.7 missing SMILES +draft_45277_00009 C4H9NO2 0.7 missing SMILES +draft_45277_00010 C8H12N2O2 0.7 missing SMILES +draft_45277_00015 C7H8N2O 0.7 missing SMILES +draft_45277_00017 C4H9NO2 0.7 missing SMILES +draft_45277_00018 C9H13NO3 0.7 missing SMILES +draft_45277_00019 C5H11N3O2 0.7 missing SMILES +draft_45277_00022 C5H11NO2 0.7 missing SMILES +draft_45277_00025 C3H7NO2 0.7 missing SMILES +draft_45277_00030 C7H12N2O3 0.7 missing SMILES +draft_45277_00034 C5H11NO2 0.7 missing SMILES +draft_45277_00035 C2H7N3 0.7 missing SMILES +draft_45277_00040 C4H9NO2S 0.7 missing SMILES +draft_45277_00042 C7H14N2O4 0.7 missing SMILES +draft_45277_00050 C3H9N 0.7 missing SMILES +draft_45277_00052 C2H7NO3S 0.7 missing SMILES +draft_45277_00055 C3H9NO 0.7 missing SMILES +draft_45277_00056 C10H19N5O7 0.7 missing SMILES +draft_45277_00058 C4H4N2O2 0.7 missing SMILES +draft_45277_00061 C4H6N4O 0.7 missing SMILES +draft_45277_00064 C5H5N5 0.8 missing SMILES +draft_45277_00065 C4H7NO3 0.8 missing SMILES +draft_45277_00067 C6H7N5 0.9 missing SMILES +draft_45277_00068 C7H5NO4 0.9 missing SMILES +draft_45277_00069 C6H5NO2 0.9 missing SMILES +draft_45277_00070 C10H12N2O4 1 missing SMILES +draft_45277_00071 C6H13NO2 1 missing SMILES +draft_45277_00074 C5H11NO2 1 missing SMILES +draft_45277_00075 C8H11NO2 1 missing SMILES +draft_45277_00076 C6H5NO2 1 missing SMILES +draft_45277_00080 C6H13NO2 1.2 missing SMILES +draft_45277_00082 C10H12N5O6P 1.2 missing SMILES +draft_45277_00083 C8H11NO 1.2 missing SMILES +draft_45277_00085 C6H7N5 1.3 missing SMILES +draft_45277_00086 C4H7NO 1.3 missing SMILES +draft_45277_00087 C8H10NO6P 1.3 missing SMILES +draft_45277_00088 C5H4N4 1.3 missing SMILES +draft_45277_00092 C6H5NO3 1.4 missing SMILES +draft_45277_00095 C9H10N2O3 1.6 missing SMILES +draft_45277_00096 C10H12N2O 1.6 missing SMILES +draft_45277_00098 C9H13NO2 1.7 missing SMILES +draft_45277_00100 C9H11NO3 1.7 missing SMILES +draft_45277_00106 C5H9NO 2.1 missing SMILES +draft_45277_00108 C7H8N4O3 2.2 missing SMILES +draft_45277_00109 C4H10O3PS 2.3 missing SMILES +draft_45277_00110 C6H8N2O2 2.3 missing SMILES +draft_45277_00111 C7H9N5 2.4 missing SMILES +draft_45277_00112 C7H10O4 2.5 missing SMILES +draft_45277_00114 C7H8N4O3 2.6 missing SMILES +draft_45277_00118 C5H8O4 2.8 missing SMILES +draft_45277_00120 C14H22N2O3 2.8 missing SMILES +draft_45277_00123 C7H13NO3 3.4 missing SMILES +draft_45277_00125 C10H12N2 3.4 missing SMILES +draft_45277_00126 C6H10O2 3.5 missing SMILES +draft_45277_00127 C7H12O3 3.6 missing SMILES +draft_45277_00128 C7H7NO 3.6 missing SMILES +draft_45277_00129 C8H6O4 3.8 missing SMILES +draft_45277_00131 C9H9NO3 3.9 missing SMILES +draft_45277_00132 C12H14N2O2 4 missing SMILES +draft_45277_00134 C10H7NO2 4.1 missing SMILES +draft_45277_00135 C8H10N4O3 4.1 missing SMILES +draft_45277_00137 C6H10O2 4.3 missing SMILES +draft_45277_00139 C10H11NO3 4.6 missing SMILES +draft_45277_00143 C17H22N2O 5.8 missing SMILES +draft_45277_00144 C12H11N7 5.8 missing SMILES +draft_45277_00148 C11H11NO3 6.4 missing SMILES +draft_45277_00150 C11H13NO2 7.1 missing SMILES +draft_45277_00151 C8H14O4 7.2 missing SMILES +draft_45277_00152 C13H16N2O2 7.4 missing SMILES +draft_45277_00154 C14H6O8 8.3 missing SMILES +draft_45277_00155 C9H11NO2 8.4 missing SMILES +draft_45277_00157 C11H11NO2 9.2 missing SMILES +draft_45277_00158 C16H21NO2 9.2 missing SMILES +draft_45277_00160 C9H16O4 9.3 missing SMILES +draft_45277_00161 C17H21NO 9.5 missing SMILES +draft_45277_00163 C8H7NO 9.8 missing SMILES +draft_45277_00164 C10H12O3 9.9 missing SMILES +draft_45277_00165 C15H10O4 9.9 missing SMILES +draft_45277_00166 C17H19N3O3S 10.3 missing SMILES +draft_45277_00168 C15H10O6 10.8 missing SMILES +draft_45277_00169 C27H38N2O4 10.8 missing SMILES +draft_45277_00170 C15H14O5 10.9 missing SMILES +draft_45277_00171 C15H10O5 11 missing SMILES +draft_45277_00172 C19H24N2 11.4 missing SMILES +draft_45277_00174 C15H10O6 11.6 missing SMILES +draft_45277_00175 C10H12O2 11.7 missing SMILES +draft_45277_00177 C11H20O4 12.6 missing SMILES +draft_45277_00184 C12H22O4 13.9 missing SMILES +draft_45277_00186 C12H24O3 14.2 missing SMILES +draft_45277_00191 C13H24O4 15 missing SMILES +draft_45277_00194 C13H18O2 16 missing SMILES +draft_45277_00199 C12H24O3 16.5 missing SMILES +draft_45277_00200 C34H38N4O6 16.7 missing SMILES +draft_45277_00201 C36H38N4O8 17 missing SMILES +draft_45277_00209 C34H38N4O4 20.7 missing SMILES diff --git a/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..98a018c30 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv @@ -0,0 +1,115 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +draft_45277_00003 C10H19N3O5 0.6 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 OAMLVOVXNKILLQ-BQBZGAKWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +draft_45277_00004 C6H14N2O3 0.6 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00005 C6H11N3O 0.6 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +draft_45277_00006 C5H12N2O2 0.6 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00007 C6H14N2O2 0.6 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00011 C9H17NO4 0.7 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +draft_45277_00012 C4H9NO2 0.7 CC[C@@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 QWCKQJZIFLGMSD-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00013 C6H14NO8P 0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 XHMJOUIAFHJHBW-UKFBFLRUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +draft_45277_00014 C7H14N2O4S 0.7 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ILRYLPWNYFXEMH-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00016 C10H14N5O8P 0.7 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 UDMBCSSLTHHNCD-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00021 C5H11NO2 0.7 CC(C)[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00024 C9H14N4O3 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +draft_45277_00026 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 FBPFZTCFMRRESA-JGWLITMVSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00027 C7H11N3O2 0.7 CN1C=C(N=C1)C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 BRMWTNUJHUMWMS-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00028 C3H7NO3 0.7 C([C@@H](C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 MTCFGRXMJLQNBG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00029 C5H9NO2 0.7 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)[C@@H](C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 VBOQYPQEPHKASR-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00032 C6H9N3O2 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +draft_45277_00036 C4H9NO3 0.7 C(CO)[C@@H](C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00037 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00038 C6H14O6 0.7 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00039 C5H12O5 0.7 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +draft_45277_00041 C5H9NO4 0.7 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00043 C6H13O9P 0.7 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +draft_45277_00044 C4H9NO3 0.7 C[C@H]([C@@H](C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 AYFVYJQAPQTCCC-GBXIJSLDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00045 C8H15NO6 0.7 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-FMDGEEDCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +draft_45277_00046 C8H15NO6 0.7 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-OZRXBMAMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) removed another duplicate entry +draft_45277_00047 C9H14N3O8P 0.7 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 IERHLVCPSMICTF-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +draft_45277_00048 C11H19NO9 0.7 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +draft_45277_00049 C6H13N3O3 0.7 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00051 C7H11N3O2 0.7 CN1C=NC=C1C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00053 C12H22O11 0.7 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 GUBGYTABKSRVRQ-XLOQQCSPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) +draft_45277_00054 C4H9NO2 0.7 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00057 C9H13N2O9P 0.7 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 DJJCXFVJDGTHFX-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +draft_45277_00059 C6H6N2O2 0.7 C1=C(NC=N1)/C=C/C(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ LOIYMIARKYCTBW-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) +draft_45277_00060 C9H13N3O4 0.7 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00062 C3H7NO2S 0.7 C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00063 C10H13N4O8P 0.8 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +draft_45277_00066 C10H17N3O6S 0.8 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +draft_45277_00072 C10H14N5O7P 1 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 LTFMZDNNPPEQNG-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) +draft_45277_00073 C9H11NO3 1 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00077 C9H13NO2 1 CNC[C@@H](C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) +draft_45277_00078 C10H15N2O8P 1.1 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) +draft_45277_00079 C6H13NO2 1.1 CC[C@@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 AGPKZVBTJJNPAG-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00081 C6H13NO2 1.2 CC[C@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 AGPKZVBTJJNPAG-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00084 C6H13NO2 1.3 CC(C)C[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 ROHFNLRQFUQHCH-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00089 C9H12N2O5 1.3 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 MXHRCPNRJAMMIM-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00090 C6H13NO2 1.4 CCCC[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 LRQKBLKVPFOOQJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00091 C5H9NO3S 1.4 CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 PWKSKIMOESPYIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00093 C10H13N5O5 1.5 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 NYHBQMYGNKIUIF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00094 C10H12N4O5 1.5 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 UGQMRVRMYYASKQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00097 C10H12N2O 1.6 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +draft_45277_00099 C10H12N4O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 VGONTNSXDCQUGY-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +draft_45277_00101 C10H13N5O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 YKBGVTZYEHREMT-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +draft_45277_00102 C10H12N5O6P 1.8 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +draft_45277_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00104 C10H12N4O6 1.9 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1 UBORTCNDUKBEOP-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00105 C12H13N5O3 2 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1 XQQIMTUYVDUWKJ-DJLDLDEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry +draft_45277_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +draft_45277_00113 C9H13NO 2.6 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +draft_45277_00115 C6H11NO3S 2.6 CSCC[C@@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 PYUSHNKNPOHWEZ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00116 C9H17NO5 2.7 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) +draft_45277_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +draft_45277_00119 C13H22N4O3S 2.8 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +draft_45277_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +draft_45277_00122 C16H28N4O4S 3.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 BAQMYDQNMFBZNA-MNXVOIDGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +draft_45277_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 KVNPSKDDJARYKK-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +draft_45277_00133 C16H18O9 4 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +draft_45277_00136 C11H15N5O3S 4.3 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +draft_45277_00138 C9H8O4 4.5 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +draft_45277_00140 C15H14O6 5.2 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +draft_45277_00141 C10H16N2O3S 5.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +draft_45277_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 FVTCRASFADXXNN-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +draft_45277_00145 C14H18N2O5 5.9 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +draft_45277_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +draft_45277_00147 C11H13NO3 6.4 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +draft_45277_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1 SCNILGOVBBRMBK-SDBHATRESA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +draft_45277_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1 UDQCRUSSQAXPJY-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +draft_45277_00156 C28H34O15 8.7 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 QUQPHWDTPGMPEX-QJBIFVCTSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +draft_45277_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ PLVPPLCLBIEYEA-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +draft_45277_00162 C18H25NO 9.5 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +draft_45277_00167 C10H10O3 10.4 COC1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ AFDXODALSZRGIH-QPJJXVBHSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +draft_45277_00173 C21H30O5 11.4 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00176 C10H14O 12.5 CC1=CC[C@@H](CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 ULDHMXUKGWMISQ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +draft_45277_00178 C21H30O4 12.8 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00179 C21H30O3 13.2 CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1 BFZHCUBIASXHPK-ODYOLWGQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +draft_45277_00180 C14H14O3 13.4 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +draft_45277_00181 C19H26O2 13.5 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 AEMFNILZOJDQLW-QAGGRKNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00182 C20H24O2 13.7 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 BFPYWIDHMRZLRN-SLHNCBLASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +draft_45277_00183 C21H30O3 13.9 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 ZESRJSPZRDMNHY-YFWFAHHUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +draft_45277_00185 C22H28O3 14 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +draft_45277_00187 C19H28O2 14.5 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 FMGSKLZLMKYGDP-USOAJAOKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00188 C21H30O3 14.5 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 DBPWSSGDRRHUNT-CEGNMAFCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +draft_45277_00189 C19H28O2 14.8 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1 RAJWOBJTTGJROA-WZNAKSSCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00190 C26H45NO7S 14.9 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 WBWWGRHZICKQGZ-HZAMXZRMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +draft_45277_00192 C26H43NO6 15.6 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 RFDAIACWWDREDC-FRVQLJSFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +draft_45277_00193 C21H28O2 15.6 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 VRRHHTISESGZFN-RKFFNLMFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) +draft_45277_00195 C19H30O2 16.2 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 QGXBDMJGAMFCBF-HLUDHZFRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +draft_45277_00196 C22H27NO2 16.2 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 POZRVZJJTULAOH-LHZXLZLDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +draft_45277_00197 C26H45NO6S 16.3 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 AWDRATDZQPNJFN-VAYUFCLWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +draft_45277_00198 C24H38O4 16.4 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1 DXOCDBGWDZAYRQ-AURDAFMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +draft_45277_00202 C18H39NO2 18 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +draft_45277_00203 C24H40O4 18 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +draft_45277_00204 C30H46O4 18.9 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 MPDGHEJMBKOTSU-YKLVYJNSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +draft_45277_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- SHGAZHPCJJPHSC-XFYACQKRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00206 C30H50O2 20.2 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 XUARCIYIVXVTAE-ZAPOICBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +draft_45277_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ SHGAZHPCJJPHSC-YCNIQYBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-OVSJKPMPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +draft_45277_00210 C27H44O2 21.7 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 YIKKMWSQVKJCOP-ABXCMAEBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +draft_45277_00211 C27H44O 25 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 NYOXRYYXRWJDKP-GYKMGIIDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv b/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv new file mode 100644 index 000000000..6ac594a92 --- /dev/null +++ b/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv @@ -0,0 +1,7 @@ +id error +draft_45277_00109 5.897337793212231 +draft_45277_00140 5.756892635508652 +draft_45277_00143 4.203242360785684 +draft_45277_00155 4.57998427104475 +draft_45277_00169 4.839764805895033 +draft_45277_00211 4.890107896617881 diff --git a/processed_data/studies.tsv b/processed_data/studies.tsv index c2903b91b..ca974fce5 100644 --- a/processed_data/studies.tsv +++ b/processed_data/studies.tsv @@ -426,4 +426,4 @@ id name url pmid source method.type comment missing information authors mail 0428 ROASMI_62 10.3390/metabo9050085 Publication - Codesido RP Submitted by Fangyuan Sun flowrate Codesido, S., Randazzo, G.M., Lehmann, F., González-Ruiz, V., García, A., Xenarios, I., Liechti, R., Bridge, A., Boccard, J., Rudaz, S 0429 ROASMI_84 10.1021/acs.analchem.9b05765 Publication - Bonini RP Submitted by Fangyuan Sun Paolo Bonini, Tobias Kind, Hiroshi Tsugawa, Dinesh Kumar Barupal, Oliver Fiehn 0430 ROASMI_5 10.1016/j.foodchem.2012.08.062 Publication - De Paepe RP Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels -draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid.,submitted by:Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner diff --git a/raw_data/studies.tsv b/raw_data/studies.tsv index c2903b91b..ca974fce5 100644 --- a/raw_data/studies.tsv +++ b/raw_data/studies.tsv @@ -426,4 +426,4 @@ id name url pmid source method.type comment missing information authors mail 0428 ROASMI_62 10.3390/metabo9050085 Publication - Codesido RP Submitted by Fangyuan Sun flowrate Codesido, S., Randazzo, G.M., Lehmann, F., González-Ruiz, V., García, A., Xenarios, I., Liechti, R., Bridge, A., Boccard, J., Rudaz, S 0429 ROASMI_84 10.1021/acs.analchem.9b05765 Publication - Bonini RP Submitted by Fangyuan Sun Paolo Bonini, Tobias Kind, Hiroshi Tsugawa, Dinesh Kumar Barupal, Oliver Fiehn 0430 ROASMI_5 10.1016/j.foodchem.2012.08.062 Publication - De Paepe RP Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels -draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid.,submitted by:Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner From b161fa7033918c81264ab7ceb6df70e8d88cfe27 Mon Sep 17 00:00:00 2001 From: Github Actions Date: Mon, 18 Nov 2024 15:11:49 +0000 Subject: [PATCH 5/5] [no ci] set IDs for newly submitted datasets: 0433; previously draft_45277 --- .../0433_descriptors_canonical_success.tsv | 212 ++++++++++++++++++ .../0433_descriptors_isomeric_success.tsv | 115 ++++++++++ ...3_fingerprints_ecfp6_canonical_success.tsv | 212 ++++++++++++++++++ ...33_fingerprints_ecfp6_isomeric_success.tsv | 115 ++++++++++ ...3_fingerprints_maccs_canonical_success.tsv | 212 ++++++++++++++++++ ...33_fingerprints_maccs_isomeric_success.tsv | 115 ++++++++++ ...fingerprints_pubchem_canonical_success.tsv | 212 ++++++++++++++++++ ..._fingerprints_pubchem_isomeric_success.tsv | 115 ++++++++++ .../0433_gradient.tsv} | 0 processed_data/0433/0433_info.tsv | 2 + .../0433_metadata.tsv} | 2 +- .../0433_metadata.yaml} | 2 +- .../0433_report_canonical.pdf} | Bin .../0433_report_isomeric.pdf} | Bin .../0433/0433_rtdata_canonical_success.tsv | 212 ++++++++++++++++++ .../0433/0433_rtdata_isomeric_failed.tsv | 98 ++++++++ .../0433/0433_rtdata_isomeric_success.tsv | 115 ++++++++++ .../0433/0433_validation_qspr_outliers.tsv | 7 + ...ft_45277_descriptors_canonical_success.tsv | 212 ------------------ ...aft_45277_descriptors_isomeric_success.tsv | 115 ---------- ...7_fingerprints_ecfp6_canonical_success.tsv | 212 ------------------ ...77_fingerprints_ecfp6_isomeric_success.tsv | 115 ---------- ...7_fingerprints_maccs_canonical_success.tsv | 212 ------------------ ...77_fingerprints_maccs_isomeric_success.tsv | 115 ---------- ...fingerprints_pubchem_canonical_success.tsv | 212 ------------------ ..._fingerprints_pubchem_isomeric_success.tsv | 115 ---------- .../draft_45277/draft_45277_info.tsv | 2 - .../draft_45277_rtdata_canonical_success.tsv | 212 ------------------ .../draft_45277_rtdata_isomeric_failed.tsv | 98 -------- .../draft_45277_rtdata_isomeric_success.tsv | 115 ---------- .../draft_45277_validation_qspr_outliers.tsv | 7 - processed_data/studies.tsv | 2 +- .../0433_gradient.tsv} | 0 raw_data/0433/0433_info.tsv | 2 + .../0433_metadata.tsv} | 2 +- .../0433_metadata.yaml} | 2 +- raw_data/0433/0433_rtdata.tsv | 212 ++++++++++++++++++ .../0433_rtdata.tsv.old} | 0 raw_data/draft_45277/draft_45277_info.tsv | 2 - raw_data/draft_45277/draft_45277_rtdata.tsv | 212 ------------------ raw_data/studies.tsv | 2 +- 41 files changed, 1962 insertions(+), 1962 deletions(-) create mode 100644 processed_data/0433/0433_descriptors_canonical_success.tsv create mode 100644 processed_data/0433/0433_descriptors_isomeric_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_ecfp6_canonical_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_ecfp6_isomeric_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_maccs_canonical_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_maccs_isomeric_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_pubchem_canonical_success.tsv create mode 100644 processed_data/0433/0433_fingerprints_pubchem_isomeric_success.tsv rename processed_data/{draft_45277/draft_45277_gradient.tsv => 0433/0433_gradient.tsv} (100%) create mode 100644 processed_data/0433/0433_info.tsv rename processed_data/{draft_45277/draft_45277_metadata.tsv => 0433/0433_metadata.tsv} (90%) rename processed_data/{draft_45277/draft_45277_metadata.yaml => 0433/0433_metadata.yaml} (94%) rename processed_data/{draft_45277/draft_45277_report_canonical.pdf => 0433/0433_report_canonical.pdf} (100%) rename processed_data/{draft_45277/draft_45277_report_isomeric.pdf => 0433/0433_report_isomeric.pdf} (100%) create mode 100644 processed_data/0433/0433_rtdata_canonical_success.tsv create mode 100644 processed_data/0433/0433_rtdata_isomeric_failed.tsv create mode 100644 processed_data/0433/0433_rtdata_isomeric_success.tsv create mode 100644 processed_data/0433/0433_validation_qspr_outliers.tsv delete mode 100644 processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_descriptors_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_info.tsv delete mode 100644 processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv delete mode 100644 processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv delete mode 100644 processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv rename raw_data/{draft_45277/draft_45277_gradient.tsv => 0433/0433_gradient.tsv} (100%) create mode 100644 raw_data/0433/0433_info.tsv rename raw_data/{draft_45277/draft_45277_metadata.tsv => 0433/0433_metadata.tsv} (90%) rename raw_data/{draft_45277/draft_45277_metadata.yaml => 0433/0433_metadata.yaml} (96%) create mode 100644 raw_data/0433/0433_rtdata.tsv rename raw_data/{draft_45277/draft_45277_rtdata.tsv.old => 0433/0433_rtdata.tsv.old} (100%) delete mode 100644 raw_data/draft_45277/draft_45277_info.tsv delete mode 100644 raw_data/draft_45277/draft_45277_rtdata.tsv diff --git a/processed_data/0433/0433_descriptors_canonical_success.tsv b/processed_data/0433/0433_descriptors_canonical_success.tsv new file mode 100644 index 000000000..c8613133e --- /dev/null +++ b/processed_data/0433/0433_descriptors_canonical_success.tsv @@ -0,0 +1,212 @@ +id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 +0433_00001 11.996461355192546 15.998258892041632 -0.41987178406289943 0.08163862365492416 3.8393010800953498 6.258786191060367 1 -1.5940000000000003 105.13580494141051 0 4 1.5699999999999998 0 7 6 1 18 0 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19,56,65,89,134,139,146,153,172,192,252,269,311,313,319,326,330,338,374,379,388,405,422,436,443,459,461,464,467,481,486,492,508,524,525,539,558,564,566,580,609,625,626,629,678,690,727,728,755,783,791,805,807,816,887,919,959,960,968,974,975,1009 +0433_00083 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 +0433_00084 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 +0433_00085 28,134,256,298,317,370,405,422,479,486,511,516,542,580,640,662,672,691,705,750,776,787,820,828,905,935,948,960,968,989,998,1006 +0433_00086 15,134,201,204,226,233,237,245,508,577,662,1022 +0433_00087 32,57,96,102,134,153,199,220,221,234,264,266,278,328,347,349,387,393,405,469,499,508,537,580,588,614,626,640,659,692,708,719,725,734,763,793,824,850,948,954,968,1000 +0433_00088 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 +0433_00089 15,89,122,134,139,153,155,167,169,199,236,245,277,311,326,330,434,452,461,506,508,524,569,582,612,626,632,657,662,766,782,791,805,806,836,850,920,930,936,952,964,968,974,1019 +0433_00090 20,62,94,107,118,141,153,207,231,250,335,441,481,494,508,626,635,679,727,778,826,948,994,1017 +0433_00091 20,94,107,153,167,186,207,226,289,387,479,508,516,602,626,673,727,739,762,797,948,960,1006 +0433_00092 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 +0433_00093 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 +0433_00094 67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 +0433_00095 20,94,128,134,153,176,201,206,256,270,285,297,359,374,444,445,480,481,508,510,516,550,617,626,635,716,727,862,871,887,897,927,968 +0433_00096 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 +0433_00097 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 +0433_00098 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 +0433_00099 15,67,77,89,122,132,134,137,139,153,168,199,245,311,317,319,326,330,386,405,422,436,461,479,486,508,524,530,544,582,614,626,631,632,662,671,699,704,722,782,783,787,791,836,846,850,866,920,930,936,964,968,974,1019 +0433_00100 20,36,51,52,75,94,96,107,118,134,141,153,207,278,283,298,315,335,353,481,487,508,533,550,626,635,640,675,696,719,727,945,968,989 +0433_00101 15,64,67,89,120,122,129,132,134,139,153,163,168,199,245,309,311,319,326,330,337,386,405,422,461,481,486,506,508,524,530,582,609,615,626,631,632,662,669,671,782,783,791,792,823,836,850,860,868,887,889,920,930,936,964,968,974,1019 +0433_00102 4,15,19,32,56,65,89,124,134,139,146,163,172,192,238,252,269,288,319,326,369,383,405,422,436,453,461,464,481,486,508,524,525,539,540,558,566,580,598,625,626,629,678,690,701,711,719,728,755,783,815,816,887,905,908,919,936,952,959,960,968,974,975,979,1009 +0433_00103 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 +0433_00104 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 +0433_00105 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20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 +0433_00113 34,96,134,141,145,151,167,194,207,217,363,390,421,481,487,550,601,626,647,753,802,857,948,968 +0433_00114 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 +0433_00115 20,56,94,107,153,188,207,231,250,278,363,387,480,508,516,523,602,626,673,709,723,727,811,850,881,915,948,992,995,996,1015 +0433_00116 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 +0433_00117 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0433_00118 12,20,94,126,153,185,257,343,347,361,480,505,508,539,544,626,640,663,727,893,948,994 +0433_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0433_00120 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 +0433_00121 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 +0433_00122 15,20,79,80,89,93,94,107,118,121,123,134,137,141,153,159,172,185,207,225,231,245,250,264,270,301,360,366,374,381,392,422,441,479,480,481,493,497,508,516,528,530,547,553,562,626,635,643,647,660,662,679,709,722,727,734,743,773,778,789,887,891,913,952,981,1003,1008,1023 +0433_00123 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 +0433_00124 20,62,93,94,96,107,134,141,145,153,207,210,230,251,270,310,352,421,427,459,480,481,487,498,508,511,516,550,558,588,602,626,635,667,673,727,732,739,840,842,917,952,968,989 +0433_00125 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 +0433_00126 3,15,89,134,138,167,237,245,260,309,405,417,461,508,534,545,688,722,763,772,775,948,1022 +0433_00127 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 +0433_00128 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 +0433_00129 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 +0433_00130 20,52,64,94,107,118,134,141,153,199,207,260,289,322,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,635,654,662,727,762,778,797,812,833,849,896,921,948,951,968,989 +0433_00131 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 +0433_00132 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 +0433_00133 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 +0433_00134 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 +0433_00135 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 +0433_00136 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 +0433_00137 3,15,89,134,153,191,244,245,338,347,452,457,461,508,534,634,679,772,948,994,1022 +0433_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0433_00139 20,62,94,96,128,134,145,153,163,270,366,421,439,480,487,501,508,516,522,550,551,588,626,666,702,727,782,807,871,887,901,927,968 +0433_00140 1,15,17,40,73,85,89,92,129,134,164,182,222,226,337,339,353,369,381,415,423,444,446,461,476,503,511,515,534,540,550,552,606,626,640,676,750,759,783,831,836,837,936,947,968,998,999,1019,1022 +0433_00141 15,20,79,89,94,121,134,153,172,245,264,301,374,381,422,479,480,493,497,508,528,530,547,553,562,626,647,660,662,709,727,743,752,773,778,789,803,887,913,952,972,976,981,1003,1008,1023 +0433_00142 57,105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,266,292,310,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,524,525,532,538,559,582,585,588,596,607,615,616,626,647,658,662,668,692,704,710,746,757,763,775,821,841,892,914,919,934,948,954,968,981,1006,1018,1024 +0433_00143 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 +0433_00144 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 +0433_00145 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 +0433_00146 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 +0433_00147 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 +0433_00148 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 +0433_00149 8,44,65,89,91,96,134,139,145,153,163,172,179,192,199,207,311,319,326,327,330,369,374,381,385,403,405,421,422,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,678,680,694,709,719,747,783,791,824,880,887,907,919,936,949,959,968,971,974,975,1003 +0433_00150 107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 +0433_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 +0433_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 +0433_00153 64,65,96,134,141,153,173,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,701,714,747,762,778,786,797,812,867,893,896,968,989 +0433_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 +0433_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 +0433_00156 4,15,35,44,73,89,110,128,129,134,153,170,192,197,200,206,210,215,220,226,245,260,264,282,299,303,311,316,320,334,336,347,353,362,369,392,399,405,423,435,444,461,473,486,504,508,512,515,534,540,547,549,550,555,562,575,579,618,624,626,628,636,640,656,657,660,661,683,701,705,709,719,724,727,734,778,785,787,791,793,796,816,863,882,904,936,948,962,968,974,994,1023 +0433_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 +0433_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 +0433_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0433_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0433_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 +0433_00162 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 +0433_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 +0433_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 +0433_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 +0433_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 +0433_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 +0433_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 +0433_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 +0433_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 +0433_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 +0433_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 +0433_00173 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 +0433_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 +0433_00175 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 +0433_00176 15,20,44,56,58,89,115,134,138,160,220,245,274,302,307,364,454,473,508,512,540,649,660,666,762,871,934,948,968,971,1008 +0433_00177 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0433_00178 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 +0433_00179 1,15,19,20,21,25,26,89,107,117,134,148,214,222,236,245,255,256,267,269,282,285,308,315,338,342,343,351,357,399,401,427,492,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,762,772,819,836,840,841,857,898,936,948,968,995,996,1022 +0433_00180 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 +0433_00181 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 +0433_00182 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 +0433_00183 7,15,20,21,25,26,49,60,88,89,99,117,134,148,153,214,222,236,245,255,285,288,293,308,314,315,326,338,342,351,357,399,492,499,508,513,538,547,566,603,615,618,626,633,698,727,742,744,772,782,789,816,821,847,866,877,898,948,949,968,1021,1022 +0433_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0433_00185 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 +0433_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 +0433_00187 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 +0433_00188 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 +0433_00189 15,26,67,75,89,93,104,134,159,201,214,222,245,254,285,288,292,399,400,414,416,440,453,485,492,499,508,540,566,586,609,639,666,676,679,697,698,703,746,757,765,772,780,782,783,851,948,949,951,963,1022 +0433_00190 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 +0433_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 +0433_00192 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 +0433_00193 7,10,15,20,21,25,26,49,88,89,92,100,117,134,148,199,209,214,222,236,245,255,274,278,288,308,315,351,357,376,399,400,443,458,473,492,499,508,513,547,566,598,603,604,637,727,742,744,762,770,772,782,816,898,902,948,949,968,976,1022 +0433_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 +0433_00195 15,26,60,75,89,104,134,159,214,222,244,245,254,285,288,292,400,401,414,417,453,492,499,508,566,586,605,609,626,655,659,666,676,690,692,698,703,746,757,762,772,782,783,818,851,936,948,949,951,952,964,1022 +0433_00196 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 +0433_00197 15,20,26,44,45,60,80,89,92,99,146,153,159,161,207,222,229,231,236,243,244,270,285,314,343,360,366,371,379,401,414,417,453,479,489,492,499,508,516,530,566,605,609,613,618,621,623,626,655,659,670,674,686,690,726,727,758,762,769,772,793,795,802,806,808,818,851,873,883,936,948,949,952,964,970,971,983,1009,1022 +0433_00198 15,20,26,60,89,94,124,134,153,182,207,222,231,244,245,261,285,288,302,330,338,343,401,453,458,470,480,492,494,499,508,530,533,536,540,586,605,609,618,626,644,655,670,677,678,688,690,726,727,752,762,772,795,802,806,814,818,894,907,921,936,944,948,961,964,983 +0433_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 +0433_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 +0433_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 +0433_00202 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 +0433_00203 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 +0433_00204 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 +0433_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +0433_00206 14,15,26,27,35,60,80,89,101,134,135,139,153,157,163,174,176,179,187,193,214,222,260,274,282,285,289,299,321,326,333,377,384,394,457,473,482,488,495,499,518,536,540,572,595,611,616,626,636,654,656,746,747,763,769,772,775,780,786,791,818,843,852,916,920,936,948,951,968,1009,1014 +0433_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +0433_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 +0433_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 +0433_00210 13,15,18,25,26,49,60,79,89,101,119,124,134,151,153,169,182,184,188,193,207,214,219,222,231,245,258,285,288,327,340,343,351,400,470,492,494,499,508,513,515,540,547,575,586,618,626,690,696,726,727,729,752,772,778,793,795,802,806,814,818,823,874,883,904,936,944,948,961,968,992 +0433_00211 7,13,15,21,25,26,49,60,88,89,99,117,134,148,153,207,214,219,222,231,236,245,255,285,288,308,315,327,331,343,351,357,399,470,492,494,499,508,513,515,547,566,567,586,603,618,698,726,727,742,772,778,782,795,802,806,816,877,883,884,898,904,944,948,949,961,968,992,1022 diff --git a/processed_data/0433/0433_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/0433/0433_fingerprints_ecfp6_isomeric_success.tsv new file mode 100644 index 000000000..ddc28da47 --- /dev/null +++ b/processed_data/0433/0433_fingerprints_ecfp6_isomeric_success.tsv @@ -0,0 +1,115 @@ +id bits.on +0433_00003 20,56,77,94,107,134,141,153,207,225,231,270,417,424,436,458,480,481,508,511,516,531,621,626,655,700,727,738,739,743,764,776,778,888,896,907,913,917,920,984 +0433_00004 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 +0433_00005 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 +0433_00006 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 +0433_00007 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 +0433_00011 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 +0433_00012 20,94,107,141,153,207,254,481,508,560,626,671,727,776,789,948,994 +0433_00013 57,72,76,89,109,123,147,153,166,173,177,266,284,347,351,442,461,481,491,508,555,588,626,687,692,700,719,743,763,817,818,936,945,954,963,974,1008 +0433_00014 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 +0433_00016 57,64,67,76,89,109,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,245,266,304,309,319,337,347,351,387,401,405,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,692,719,722,743,763,783,792,860,868,874,887,889,936,954,968,974,980,997,1004 +0433_00020 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 +0433_00021 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 +0433_00023 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 +0433_00024 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 +0433_00026 15,153,207,268,300,323,326,390,533,538,562,576,580,626,638,701,775,918,944 +0433_00027 19,20,77,83,94,107,110,134,141,153,207,275,319,340,347,384,405,422,430,472,481,508,524,626,686,727,776,789,823,824,948,965,968,989 +0433_00028 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 +0433_00029 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 +0433_00031 20,45,92,94,107,141,146,153,207,217,223,231,236,240,255,481,485,508,609,626,727,743,776,789 +0433_00032 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 +0433_00033 57,84,138,142,153,207,267,292,311,320,326,347,390,429,430,474,508,513,540,576,600,626,700,718,734,763,779,833,877,911,919,921,926,932,948,954,955,994 +0433_00036 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 +0433_00037 15,153,207,323,326,390,533,538,562,576,626,701,702 +0433_00038 15,153,207,300,323,326,390,538,576,626,638,657,674,701,775,880,918,943,944 +0433_00039 15,153,207,300,323,326,390,452,495,538,576,626,701,775,781,918,1018 +0433_00041 20,94,105,107,141,153,207,217,231,261,327,480,481,508,530,583,626,684,727,752,776,789 +0433_00043 22,57,76,89,109,153,173,177,187,197,212,218,235,266,279,347,351,442,461,508,555,562,588,612,626,647,692,719,743,763,936,954,974,982 +0433_00044 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 +0433_00045 20,70,85,89,140,153,263,297,311,326,351,442,457,461,474,492,508,510,516,527,548,626,627,643,717,719,727,743,762,790,900,936,948,960,974 +0433_00046 3,20,70,72,85,89,153,166,263,297,311,326,351,441,442,461,474,492,508,516,527,626,627,643,717,719,727,743,762,790,936,942,948,960,974 +0433_00047 57,76,89,109,134,139,153,159,173,177,197,212,245,266,274,347,351,387,401,405,442,452,460,461,465,481,508,523,524,555,560,588,596,615,626,631,657,681,692,716,719,743,763,765,807,833,874,887,928,936,952,954,968,974,980,997 +0433_00048 8,15,20,26,89,94,153,178,207,216,243,263,323,326,390,393,413,429,457,461,474,492,508,516,570,576,594,626,691,701,727,750,758,760,762,770,819,829,833,837,848,855,936,948,960,981,1000,1008 +0433_00049 20,51,94,107,141,153,174,207,217,231,270,294,341,353,360,481,504,508,516,545,552,626,643,727,771,776,778,789,986 +0433_00051 19,20,94,107,134,141,153,207,213,247,319,326,387,395,405,481,486,508,524,576,626,686,705,727,741,776,789,925,947,948,968,986,989 +0433_00053 7,18,85,89,147,153,200,216,229,260,284,300,311,323,326,347,442,454,461,467,493,554,557,562,582,588,590,617,621,626,628,703,711,719,743,793,835,851,936,956,974 +0433_00054 20,94,107,141,153,207,254,343,437,481,508,524,626,702,727,948,994 +0433_00057 57,76,89,109,134,139,153,159,167,169,173,177,197,212,227,236,245,266,277,285,347,351,361,387,401,434,442,452,461,506,508,524,555,569,588,626,630,657,662,692,719,743,763,766,806,874,936,952,954,968,974,980,997 +0433_00059 20,94,134,160,177,195,252,304,366,387,395,405,445,469,479,508,510,551,611,626,662,727,787,850,968,973 +0433_00060 15,31,35,85,89,127,134,139,153,245,283,311,314,326,346,405,413,430,442,452,460,461,465,481,508,523,524,560,596,615,626,657,716,742,765,814,824,833,887,894,924,928,936,952,964,968,974,980 +0433_00062 20,94,107,141,153,186,207,387,481,508,533,626,727,776,789,1000,1006 +0433_00063 57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 +0433_00066 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 +0433_00072 15,50,57,64,67,70,89,109,120,127,128,129,131,132,134,139,153,163,168,173,245,266,283,309,314,319,337,347,405,413,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,687,692,743,763,783,791,792,814,816,824,853,860,868,887,889,932,936,954,964,968,974,980 +0433_00073 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 +0433_00077 29,34,134,153,167,207,227,279,390,474,487,515,516,527,550,586,626,640,647,658,659,667,676,781,792,802,845,867,904,940,948,968,998,1007 +0433_00078 15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 +0433_00079 20,41,94,107,141,153,207,228,254,326,365,481,490,508,626,727,802,835,875,948,994 +0433_00081 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 +0433_00084 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 +0433_00089 15,31,85,89,127,134,139,153,167,169,236,245,277,283,311,314,326,413,430,434,440,442,452,461,506,508,524,569,620,626,657,662,742,764,766,806,814,824,936,952,964,968,974,980 +0433_00090 20,62,94,107,141,153,206,207,217,231,481,508,529,545,626,727,771,776,778,789,826,948,994,1017 +0433_00091 20,56,94,107,153,186,207,387,403,508,516,626,647,655,706,727,739,762,797,863,948,960,1006 +0433_00093 64,67,85,89,120,129,132,134,139,145,153,159,163,168,197,209,212,245,304,309,311,319,326,337,351,387,390,401,405,422,442,461,481,486,506,508,524,582,615,626,631,662,669,710,719,722,743,783,792,860,868,887,889,936,968,974,1004 +0433_00094 67,77,85,89,132,134,137,139,145,153,159,168,197,209,212,245,304,311,315,317,319,326,351,387,390,401,405,422,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,710,719,743,783,787,804,836,866,936,968,974 +0433_00097 15,73,81,89,116,134,183,245,272,298,332,380,381,385,393,405,419,464,487,508,524,543,550,585,618,651,667,683,686,688,706,725,772,898,905,948,968,1022 +0433_00099 15,31,50,67,77,85,89,127,131,132,134,137,139,153,168,245,283,311,314,317,319,326,361,405,413,422,430,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,742,783,787,791,814,824,836,866,936,964,968,974,980,985 +0433_00101 15,31,50,64,67,70,85,89,120,127,129,131,132,134,139,153,163,168,245,283,309,311,314,319,326,337,405,413,422,430,442,461,481,486,506,508,524,582,615,626,631,662,669,742,783,791,792,814,824,853,860,868,887,889,936,964,968,974,980 +0433_00102 15,19,56,65,89,134,139,146,152,155,168,172,212,251,252,267,269,288,318,319,369,401,405,422,427,436,461,481,486,508,524,525,539,540,547,557,558,566,580,625,626,629,653,678,690,691,711,719,728,741,747,754,755,769,783,816,817,887,936,960,968,974,975,979,990,1009 +0433_00103 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 +0433_00104 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 +0433_00105 15,31,50,67,85,89,103,127,131,132,134,137,139,143,149,153,199,283,306,307,309,311,314,316,319,326,330,394,405,409,413,422,430,442,461,524,550,578,586,618,626,631,652,657,742,773,783,791,814,824,865,868,934,936,964,968,974,980,985 +0433_00107 15,31,85,89,127,134,139,153,185,220,245,283,301,303,311,314,326,340,379,413,430,442,461,477,506,508,524,533,569,575,582,626,638,649,662,671,675,742,806,814,824,874,918,936,948,964,968,974,980 +0433_00113 37,53,82,89,96,134,141,145,167,207,224,390,421,429,481,487,550,601,626,647,802,935,948,956,968 +0433_00115 20,37,43,56,69,94,107,153,188,207,231,278,330,337,363,387,508,516,536,581,626,655,727,811,850,881,915,948,992,996,1015 +0433_00116 20,94,118,144,145,153,207,270,313,326,360,390,423,467,480,482,502,508,516,530,535,541,554,626,669,681,688,727,752,763,857,888,917,948,977 +0433_00117 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 +0433_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 +0433_00121 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 +0433_00122 15,18,20,79,80,89,94,107,123,134,137,141,153,159,190,207,217,225,231,245,264,270,276,356,360,366,381,392,409,429,480,481,497,508,510,516,530,545,547,553,562,605,623,626,643,651,662,671,683,719,722,726,727,734,771,773,776,778,789,795,827,835,891,946,981,1003,1008 +0433_00124 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 +0433_00130 19,20,58,64,94,107,134,141,153,199,207,214,260,269,289,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,654,662,727,762,776,778,789,797,812,833,896,948,968,989,991 +0433_00133 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 +0433_00136 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 +0433_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 +0433_00140 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 +0433_00141 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 +0433_00142 19,36,37,57,105,119,131,134,153,207,211,219,220,240,245,253,262,266,274,292,324,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,563,582,585,588,596,607,615,616,626,647,658,662,668,691,692,701,710,746,757,758,763,775,841,919,934,948,954,968,1006,1018,1024 +0433_00145 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 +0433_00146 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 +0433_00147 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 +0433_00149 8,65,85,89,91,96,134,139,145,153,159,172,179,197,212,311,319,326,351,381,387,390,401,403,405,421,422,442,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,653,678,694,709,710,719,743,747,783,824,880,887,907,935,936,949,968,971,974,975,990,1003 +0433_00153 64,96,134,141,153,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,714,747,762,778,786,797,812,819,845,867,893,896,939,968,989 +0433_00156 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 +0433_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 +0433_00162 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 +0433_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 +0433_00173 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 +0433_00176 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 +0433_00178 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 +0433_00179 1,15,20,25,26,36,39,49,72,85,87,89,108,134,141,148,151,217,222,233,236,245,255,285,311,315,342,351,357,399,418,463,469,499,508,513,517,555,566,603,610,626,633,719,727,755,762,766,768,772,802,819,822,836,857,870,897,936,948,968,971,1019,1022 +0433_00180 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 +0433_00181 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 +0433_00182 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 +0433_00183 15,20,25,26,49,60,72,85,87,89,116,118,134,141,148,153,222,245,255,258,280,285,291,297,311,315,326,351,357,371,393,399,452,471,477,499,506,508,513,560,566,581,595,603,626,727,755,768,772,801,821,836,849,866,875,898,944,948,950,968,969,1019,1022 +0433_00185 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 +0433_00187 15,25,26,44,85,89,109,134,144,214,222,245,254,274,295,297,311,318,348,351,357,400,472,473,477,494,499,508,540,566,583,586,601,626,654,660,690,692,700,703,755,772,774,787,801,816,818,840,841,894,936,948,963,968,990,1022 +0433_00188 15,20,25,26,36,72,82,85,89,129,134,141,148,222,245,250,255,271,272,291,305,311,315,316,351,357,358,372,399,446,452,499,508,513,566,568,595,603,626,727,755,762,768,772,801,814,836,855,862,875,900,944,948,968,969,978,1019,1022 +0433_00189 15,26,49,67,85,89,93,103,109,134,147,222,245,254,274,285,294,297,343,348,399,400,424,448,454,472,477,499,508,540,566,586,601,609,632,679,703,739,765,772,780,787,801,841,851,879,908,948,963,969,1022 +0433_00190 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 +0433_00192 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 +0433_00193 15,20,25,26,72,85,89,92,134,141,148,222,245,255,274,276,284,287,291,311,315,341,351,357,399,418,443,452,458,472,473,499,508,513,566,567,593,595,603,604,623,727,755,762,768,772,801,804,836,841,853,875,915,944,948,963,968,969,1019,1022 +0433_00195 15,26,49,60,85,89,109,134,222,245,252,254,274,285,290,297,310,316,343,348,400,401,424,437,472,477,499,508,566,586,601,609,626,632,681,690,703,713,739,772,787,801,804,818,841,851,879,936,948,964,969,1022 +0433_00196 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 +0433_00197 4,5,15,20,26,45,49,60,76,80,85,87,89,92,99,108,118,146,153,159,163,207,222,228,231,236,243,252,270,281,285,290,314,316,326,340,351,352,360,366,401,402,408,424,437,479,482,499,508,516,524,530,566,609,626,657,690,713,727,753,759,772,777,802,808,818,851,860,879,936,948,964,969,970,976,987,999,1003,1009,1015,1022 +0433_00198 15,20,26,42,60,76,85,87,89,94,134,146,153,156,163,170,182,207,215,222,223,231,245,252,261,285,290,302,316,371,401,424,437,480,499,503,508,530,540,573,594,609,613,626,644,684,690,697,710,727,729,752,759,762,772,801,802,814,818,860,894,909,928,936,944,948,964,973,976,982 +0433_00202 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 +0433_00203 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 +0433_00204 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 +0433_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +0433_00206 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 +0433_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 +0433_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 +0433_00210 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 +0433_00211 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 diff --git a/processed_data/0433/0433_fingerprints_maccs_canonical_success.tsv b/processed_data/0433/0433_fingerprints_maccs_canonical_success.tsv new file mode 100644 index 000000000..221be99db --- /dev/null +++ b/processed_data/0433/0433_fingerprints_maccs_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +0433_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 +0433_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 +0433_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0433_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0433_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0433_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0433_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 +0433_00009 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 +0433_00010 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0433_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0433_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0433_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00015 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 +0433_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00017 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 +0433_00018 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0433_00019 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 +0433_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0433_00022 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0433_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0433_00025 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 +0433_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 +0433_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0433_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0433_00030 75,79,82,83,84,85,90,91,92,95,96,100,110,111,117,118,121,122,123,128,129,131,132,136,137,138,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,164,165 +0433_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 +0433_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0433_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0433_00034 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 +0433_00035 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 +0433_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00040 54,84,86,88,90,93,95,104,111,115,123,131,139,151,153,154,155,156,157,158,159,160,161,164 +0433_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0433_00042 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 +0433_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0433_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0433_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00050 74,85,86,93,122,141,148,149,158,160,161 +0433_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0433_00052 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 +0433_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0433_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0433_00055 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 +0433_00056 25,43,53,54,66,72,74,77,78,80,84,85,86,89,90,91,93,104,106,112,119,122,123,131,132,136,139,140,142,146,148,149,151,152,154,155,156,157,158,159,160,161,164,166 +0433_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00058 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 +0433_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 +0433_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00061 25,38,43,53,65,77,80,84,92,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 +0433_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0433_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00064 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 +0433_00065 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0433_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00067 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 +0433_00068 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 +0433_00069 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 +0433_00070 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0433_00071 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 +0433_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0433_00074 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 +0433_00075 54,72,82,84,91,100,104,111,113,127,131,139,143,144,147,150,151,152,153,155,157,158,159,161,162,163,164,165 +0433_00076 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 +0433_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0433_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00080 53,74,84,97,104,111,116,123,131,132,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00082 29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00083 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 +0433_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00085 38,54,65,77,79,80,83,93,96,98,105,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 +0433_00086 82,83,90,92,96,100,104,110,111,117,118,121,127,132,137,143,147,151,153,154,156,158,161,164,165 +0433_00087 29,43,48,65,69,89,90,91,95,97,98,102,106,109,112,113,121,124,126,127,130,131,136,137,139,140,143,144,146,148,150,152,153,154,155,156,157,159,160,161,162,163,164,165 +0433_00088 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 +0433_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0433_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0433_00092 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 +0433_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00095 54,82,84,92,95,100,104,110,117,123,131,132,133,135,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00096 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 +0433_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0433_00098 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 +0433_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00100 54,84,90,95,104,111,113,123,127,131,139,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 +0433_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0433_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00106 82,90,91,92,98,100,104,110,111,117,118,121,127,129,132,137,143,147,151,153,154,156,158,161,163,164,165 +0433_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00108 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0433_00109 29,48,49,67,73,81,88,102,106,109,112,114,124,126,128,130,138,146,148,149,153,155,157,159,160,164 +0433_00110 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 +0433_00111 38,65,74,77,79,80,83,85,86,93,96,98,105,120,121,122,133,135,137,142,148,149,151,156,158,160,161,162,163,165 +0433_00112 89,90,104,108,115,123,129,132,136,139,140,146,147,152,154,155,157,159,160,164 +0433_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0433_00114 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0433_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0433_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0433_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0433_00118 89,104,108,109,114,123,126,129,132,136,139,140,146,153,154,155,157,159,160,164 +0433_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0433_00120 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0433_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +0433_00123 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 +0433_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +0433_00125 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 +0433_00126 57,98,108,115,116,118,123,127,132,137,143,147,152,154,157,159,160,163,164,165 +0433_00127 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 +0433_00128 84,92,110,117,151,154,156,158,161,162,163,164,165 +0433_00129 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 +0433_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00131 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00132 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00134 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 +0433_00135 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 +0433_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00137 57,83,96,108,114,116,123,127,128,129,132,137,143,147,152,154,155,157,159,160,164,165 +0433_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0433_00139 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0433_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +0433_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00143 65,66,74,85,86,93,95,98,100,108,109,111,112,115,116,121,122,125,126,132,137,138,141,142,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 +0433_00144 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 +0433_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00148 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 +0433_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00150 65,82,83,90,91,93,96,104,105,109,113,121,126,127,131,132,137,139,143,147,151,152,153,155,156,157,159,160,161,162,163,164,165 +0433_00151 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0433_00152 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 +0433_00154 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00155 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0433_00157 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 +0433_00158 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0433_00160 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0433_00161 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 +0433_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0433_00163 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 +0433_00164 90,93,104,113,123,126,127,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 +0433_00165 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00166 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 +0433_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0433_00168 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00169 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 +0433_00170 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 +0433_00171 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00172 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 +0433_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00174 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00175 90,114,123,139,154,155,157,159,160,162,163,164,165 +0433_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +0433_00177 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0433_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0433_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0433_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00184 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0433_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0433_00186 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 +0433_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0433_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00191 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 +0433_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00194 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 +0433_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0433_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 +0433_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00199 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 +0433_00200 50,53,65,76,80,83,90,96,97,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,152,154,155,156,157,159,160,161,162,164,165 +0433_00201 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0433_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0433_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +0433_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 +0433_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +0433_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 +0433_00209 50,53,65,76,80,83,90,91,96,99,104,105,108,114,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 +0433_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/0433/0433_fingerprints_maccs_isomeric_success.tsv b/processed_data/0433/0433_fingerprints_maccs_isomeric_success.tsv new file mode 100644 index 000000000..c81695e05 --- /dev/null +++ b/processed_data/0433/0433_fingerprints_maccs_isomeric_success.tsv @@ -0,0 +1,115 @@ +id bits.on +0433_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 +0433_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 +0433_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0433_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 +0433_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 +0433_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0433_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 +0433_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 +0433_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 +0433_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 +0433_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 +0433_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 +0433_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 +0433_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 +0433_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 +0433_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 +0433_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 +0433_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 +0433_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 +0433_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 +0433_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 +0433_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 +0433_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 +0433_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 +0433_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 +0433_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 +0433_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 +0433_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 +0433_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 +0433_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 +0433_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 +0433_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 +0433_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 +0433_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 +0433_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 +0433_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 +0433_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 +0433_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 +0433_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 +0433_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +0433_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 +0433_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 +0433_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 +0433_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 +0433_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 +0433_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 +0433_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 +0433_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 +0433_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 +0433_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 +0433_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 +0433_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 +0433_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 +0433_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 +0433_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 +0433_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 +0433_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 +0433_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 +0433_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0433_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 +0433_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 +0433_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 +0433_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 +0433_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 +0433_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 +0433_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +0433_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 +0433_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 +0433_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 +0433_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 +0433_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/0433/0433_fingerprints_pubchem_canonical_success.tsv b/processed_data/0433/0433_fingerprints_pubchem_canonical_success.tsv new file mode 100644 index 000000000..b34dbc3ad --- /dev/null +++ b/processed_data/0433/0433_fingerprints_pubchem_canonical_success.tsv @@ -0,0 +1,212 @@ +id bits.on +0433_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 +0433_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 +0433_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +0433_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0433_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0433_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0433_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0433_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 +0433_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 +0433_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 +0433_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0433_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0433_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0433_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0433_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 +0433_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 +0433_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 +0433_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 +0433_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0433_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 +0433_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0433_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 +0433_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0433_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0433_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 +0433_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +0433_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0433_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 +0433_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 +0433_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0433_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0433_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 +0433_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0433_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 +0433_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0433_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0433_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0433_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0433_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0433_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0433_00050 10,15,284,286,366,375,391,392,541 +0433_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 +0433_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0433_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0433_00055 10,15,19,284,286,302,366,375,391,392,396,541 +0433_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 +0433_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0433_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 +0433_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0433_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0433_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 +0433_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0433_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0433_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 +0433_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0433_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0433_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 +0433_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 +0433_00070 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10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0433_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 +0433_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0433_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0433_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 +0433_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 +0433_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 +0433_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 +0433_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0433_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0433_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0433_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0433_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0433_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 +0433_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0433_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 +0433_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0433_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +0433_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 +0433_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0433_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 +0433_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 +0433_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 +0433_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0433_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 +0433_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0433_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 +0433_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 +0433_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0433_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 +0433_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 +0433_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 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10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 +0433_00167 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10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 +0433_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 +0433_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +0433_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 +0433_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0433_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0433_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +0433_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0433_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +0433_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 +0433_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 +0433_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0433_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/0433/0433_fingerprints_pubchem_isomeric_success.tsv b/processed_data/0433/0433_fingerprints_pubchem_isomeric_success.tsv new file mode 100644 index 000000000..e0860789a --- /dev/null +++ b/processed_data/0433/0433_fingerprints_pubchem_isomeric_success.tsv @@ -0,0 +1,115 @@ +id bits.on +0433_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 +0433_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 +0433_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 +0433_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 +0433_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0433_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 +0433_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0433_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 +0433_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 +0433_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 +0433_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 +0433_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 +0433_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 +0433_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 +0433_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 +0433_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 +0433_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 +0433_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 +0433_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 +0433_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 +0433_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 +0433_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0433_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 +0433_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 +0433_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 +0433_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 +0433_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 +0433_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 +0433_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 +0433_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 +0433_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 +0433_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 +0433_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 +0433_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0433_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 +0433_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 +0433_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0433_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0433_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 +0433_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 +0433_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0433_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 +0433_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 +0433_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 +0433_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0433_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 +0433_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 +0433_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 +0433_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 +0433_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 +0433_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 +0433_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 +0433_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 +0433_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 +0433_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 +0433_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 +0433_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 +0433_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0433_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 +0433_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 +0433_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 +0433_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 +0433_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 +0433_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 +0433_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0433_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 +0433_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 +0433_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 +0433_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 +0433_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 +0433_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 +0433_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 +0433_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 +0433_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 +0433_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 +0433_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 +0433_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0433_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 +0433_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0433_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 +0433_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 +0433_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0433_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 +0433_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0433_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 +0433_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 +0433_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 +0433_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 +0433_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 +0433_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 +0433_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 +0433_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 +0433_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +0433_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 +0433_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 +0433_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 +0433_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 +0433_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_gradient.tsv b/processed_data/0433/0433_gradient.tsv similarity index 100% rename from processed_data/draft_45277/draft_45277_gradient.tsv rename to processed_data/0433/0433_gradient.tsv diff --git a/processed_data/0433/0433_info.tsv b/processed_data/0433/0433_info.tsv new file mode 100644 index 000000000..a46235d2a --- /dev/null +++ b/processed_data/0433/0433_info.tsv @@ -0,0 +1,2 @@ +id authors name url comment +0433 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun diff --git a/processed_data/draft_45277/draft_45277_metadata.tsv b/processed_data/0433/0433_metadata.tsv similarity index 90% rename from processed_data/draft_45277/draft_45277_metadata.tsv rename to processed_data/0433/0433_metadata.tsv index f843c12ea..3ded15135 100644 --- a/processed_data/draft_45277/draft_45277_metadata.tsv +++ b/processed_data/0433/0433_metadata.tsv @@ -1,2 +1,2 @@ id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D -draft_45277 Merck Supelco Ascentis Express C18 L1 100 2.1 2.7 40 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 +0433 Merck Supelco Ascentis Express C18 L1 100 2.1 2.7 40 0.3 0.735 100 0 0 0 0 0 0 0 0 0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95 5 0 0 5 95 0 0 diff --git a/processed_data/draft_45277/draft_45277_metadata.yaml b/processed_data/0433/0433_metadata.yaml similarity index 94% rename from processed_data/draft_45277/draft_45277_metadata.yaml rename to processed_data/0433/0433_metadata.yaml index b54a4dddb..afd04eb21 100644 --- a/processed_data/draft_45277/draft_45277_metadata.yaml +++ b/processed_data/0433/0433_metadata.yaml @@ -1,4 +1,4 @@ -id: draft_45277 +id: '0433' column: name: Merck Supelco Ascentis Express C18 usp.code: L1 diff --git a/processed_data/draft_45277/draft_45277_report_canonical.pdf b/processed_data/0433/0433_report_canonical.pdf similarity index 100% rename from processed_data/draft_45277/draft_45277_report_canonical.pdf rename to processed_data/0433/0433_report_canonical.pdf diff --git a/processed_data/draft_45277/draft_45277_report_isomeric.pdf b/processed_data/0433/0433_report_isomeric.pdf similarity index 100% rename from processed_data/draft_45277/draft_45277_report_isomeric.pdf rename to processed_data/0433/0433_report_isomeric.pdf diff --git a/processed_data/0433/0433_rtdata_canonical_success.tsv b/processed_data/0433/0433_rtdata_canonical_success.tsv new file mode 100644 index 000000000..bfee0a9c1 --- /dev/null +++ b/processed_data/0433/0433_rtdata_canonical_success.tsv @@ -0,0 +1,212 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0433_00001 C4H11NO2 0.6 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0433_00002 C5H9N3 0.6 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) +0433_00003 C10H19N3O5 0.6 C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18) OAMLVOVXNKILLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0433_00004 C6H14N2O3 0.6 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00005 C6H11N3O 0.6 C1=C(NC=N1)CC(CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9) ZQISRDCJNBUVMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0433_00006 C5H12N2O2 0.6 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00007 C6H14N2O2 0.6 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00008 C2H7NO2S 0.7 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) +0433_00009 C4H9NO2 0.7 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0433_00010 C8H12N2O2 0.7 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) +0433_00011 C9H17NO4 0.7 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0433_00012 C4H9NO2 0.7 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00013 C6H14NO8P 0.7 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0433_00014 C7H14N2O4S 0.7 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00015 C7H8N2O 0.7 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) +0433_00016 C10H14N5O8P 0.7 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18) RQFCJASXJCIDSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0433_00017 C4H9NO2 0.7 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00018 C9H13NO3 0.7 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0433_00019 C5H11N3O2 0.7 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) +0433_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0433_00021 C5H11NO2 0.7 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00022 C5H11NO2 0.7 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) +0433_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00024 C9H14N4O3 0.7 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0433_00025 C3H7NO2 0.7 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00026 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00027 C7H11N3O2 0.7 CN1C=C(N=C1)CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) BRMWTNUJHUMWMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00028 C3H7NO3 0.7 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00029 C5H9NO2 0.7 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00030 C7H12N2O3 0.7 C1CC(N(C1)C(=O)CN)C(=O)O InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12) KZNQNBZMBZJQJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0433_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)C(C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10) VBOQYPQEPHKASR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00032 C6H9N3O2 0.7 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0433_00034 C5H11NO2 0.7 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00035 C2H7N3 0.7 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) +0433_00036 C4H9NO3 0.7 C(CO)C(C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00037 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00038 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00039 C5H12O5 0.7 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00040 C4H9NO2S 0.7 CSCC(C(=O)O)N InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) IDIDJDIHTAOVLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00041 C5H9NO4 0.7 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00042 C7H14N2O4 0.7 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00043 C6H13O9P 0.7 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0433_00044 C4H9NO3 0.7 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00045 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) +0433_00046 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) removed another duplicate entry +0433_00047 C9H14N3O8P 0.7 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) IERHLVCPSMICTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) +0433_00048 C11H19NO9 0.7 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) +0433_00049 C6H13N3O3 0.7 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00050 C3H9N 0.7 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N Organic 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(CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00082 C10H12N5O6P 1.2 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) +0433_00083 C8H11NO 1.2 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) +0433_00084 C6H13NO2 1.3 CC(C)CC(C(=O)O)N 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(CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) +0433_00087 C8H10NO6P 1.3 CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) NGVDGCNFYWLIFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) +0433_00088 C5H4N4 1.3 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) +0433_00089 C9H12N2O5 1.3 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15) MXHRCPNRJAMMIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0433_00090 C6H13NO2 1.4 CCCCC(C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) LRQKBLKVPFOOQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00091 C5H9NO3S 1.4 CC(=O)NC(CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9) PWKSKIMOESPYIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00092 C6H5NO3 1.4 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) +0433_00093 C10H13N5O5 1.5 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00094 C10H12N4O5 1.5 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00095 C9H10N2O3 1.6 C1=CC(=CC=C1C(=O)NCC(=O)O)N InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) HSMNQINEKMPTIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0433_00096 C10H12N2O 1.6 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0433_00097 C10H12N2O 1.6 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0433_00098 C9H13NO2 1.7 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) +0433_00099 C10H12N4O4 1.7 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) VGONTNSXDCQUGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0433_00100 C9H11NO3 1.7 C1=CC=C(C(=C1)CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) WRFPVMFCRNYQNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00101 C10H13N5O4 1.7 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0433_00102 C10H12N5O6P 1.8 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0433_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00104 C10H12N4O6 1.9 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00105 C12H13N5O3 2 C1C(C(OC1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2 XQQIMTUYVDUWKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry +0433_00106 C5H9NO 2.1 C1CCNC(=O)C1 InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) XUWHAWMETYGRKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) NA (NA) NA (NA) +0433_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0433_00108 C7H8N4O3 2.2 CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14) UARKDOLETOEBCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0433_00109 C4H10O3PS 2.3 CCOP(=S)([O-])OCC InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1 PKUWKAXTAVNIJR-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) +0433_00110 C6H8N2O2 2.3 CN1C=CC(=O)N(C1=O)C InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) +0433_00111 C7H9N5 2.4 CN(C)C1=NC=NC2=C1NC=N2 InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11) BVIAOQMSVZHOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) +0433_00112 C7H10O4 2.5 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) +0433_00113 C9H13NO 2.6 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0433_00114 C7H8N4O3 2.6 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0433_00115 C6H11NO3S 2.6 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00116 C9H17NO5 2.7 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) +0433_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0433_00118 C5H8O4 2.8 CCOC(=O)CC(=O)O InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) HGINADPHJQTSKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) +0433_00119 C13H22N4O3S 2.8 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0433_00120 C14H22N2O3 2.8 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) +0433_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0433_00122 C16H28N4O4S 3.3 C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24) BAQMYDQNMFBZNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0433_00123 C7H13NO3 3.4 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0433_00125 C10H12N2 3.4 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) +0433_00126 C6H10O2 3.5 CC1CCCC(=O)O1 InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 RZTOWFMDBDPERY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) +0433_00127 C7H12O3 3.6 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) +0433_00128 C7H7NO 3.6 C1=CC=C(C=C1)C(=O)N InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) +0433_00129 C8H6O4 3.8 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) +0433_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16) KVNPSKDDJARYKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0433_00131 C9H9NO3 3.9 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) +0433_00132 C12H14N2O2 4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0433_00133 C16H18O9 4 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0433_00134 C10H7NO2 4.1 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) +0433_00135 C8H10N4O3 4.1 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) +0433_00136 C11H15N5O3S 4.3 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0433_00137 C6H10O2 4.3 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) +0433_00138 C9H8O4 4.5 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0433_00139 C10H11NO3 4.6 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00140 C15H14O6 5.2 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0433_00141 C10H16N2O3S 5.3 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) YBJHBAHKTGYVGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0433_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29) FVTCRASFADXXNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +0433_00143 C17H22N2O 5.8 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) +0433_00144 C12H11N7 5.8 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) +0433_00145 C14H18N2O5 5.9 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0433_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0433_00147 C11H13NO3 6.4 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00148 C11H11NO3 6.4 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0433_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) SCNILGOVBBRMBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00150 C11H13NO2 7.1 COC1=CC2=C(C=C1)NC=C2CCO InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3 QLWKTGDEPLRFAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0433_00151 C8H14O4 7.2 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0433_00152 C13H16N2O2 7.4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0433_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)CC(CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2 UDQCRUSSQAXPJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0433_00154 C14H6O8 8.3 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) +0433_00155 C9H11NO2 8.4 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) +0433_00156 C28H34O15 8.7 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 QUQPHWDTPGMPEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0433_00157 C11H11NO2 9.2 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0433_00158 C16H21NO2 9.2 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0433_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14) PLVPPLCLBIEYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0433_00160 C9H16O4 9.3 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0433_00161 C17H21NO 9.5 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) +0433_00162 C18H25NO 9.5 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0433_00163 C8H7NO 9.8 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) +0433_00164 C10H12O3 9.9 COC1=CC=CC(=C1)CCC(=O)O InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) BJJQJLOZWBZEGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0433_00165 C15H10O4 9.9 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0433_00166 C17H19N3O3S 10.3 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) +0433_00167 C10H10O3 10.4 COC1=CC=C(C=C1)C=CC(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12) AFDXODALSZRGIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0433_00168 C15H10O6 10.8 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) +0433_00169 C27H38N2O4 10.8 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) +0433_00170 C15H14O5 10.9 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) +0433_00171 C15H10O5 11 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) +0433_00172 C19H24N2 11.4 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) +0433_00173 C21H30O5 11.4 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00174 C15H10O6 11.6 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) +0433_00175 C10H12O2 11.7 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0433_00176 C10H14O 12.5 CC1=CCC(CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 ULDHMXUKGWMISQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0433_00177 C11H20O4 12.6 C(CCCCC(=O)O)CCCCC(=O)O InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15) LWBHHRRTOZQPDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0433_00178 C21H30O4 12.8 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00179 C21H30O3 13.2 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3 BFZHCUBIASXHPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0433_00180 C14H14O3 13.4 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0433_00181 C19H26O2 13.5 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 AEMFNILZOJDQLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00182 C20H24O2 13.7 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3 BFPYWIDHMRZLRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0433_00183 C21H30O3 13.9 CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3 ZESRJSPZRDMNHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00184 C12H22O4 13.9 C(CCCCCC(=O)O)CCCCC(=O)O InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16) TVIDDXQYHWJXFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) +0433_00185 C22H28O3 14 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0433_00186 C12H24O3 14.2 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0433_00187 C19H28O2 14.5 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 FMGSKLZLMKYGDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00188 C21H30O3 14.5 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3 DBPWSSGDRRHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0433_00189 C19H28O2 14.8 CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3 RAJWOBJTTGJROA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00190 C26H45NO7S 14.9 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34) WBWWGRHZICKQGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0433_00191 C13H24O4 15 C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) DXNCZXXFRKPEPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) +0433_00192 C26H43NO6 15.6 CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33) RFDAIACWWDREDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0433_00193 C21H28O2 15.6 CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3 VRRHHTISESGZFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) +0433_00194 C13H18O2 16 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) +0433_00195 C19H30O2 16.2 CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3 QGXBDMJGAMFCBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00196 C22H27NO2 16.2 CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3 POZRVZJJTULAOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0433_00197 C26H45NO6S 16.3 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33) AWDRATDZQPNJFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0433_00198 C24H38O4 16.4 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28) DXOCDBGWDZAYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +0433_00199 C12H24O3 16.5 CCCCCCCCCC(CC(=O)O)O InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) MUCMKTPAZLSKTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) +0433_00200 C34H38N4O6 16.7 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44) KFKRXESVMDBTNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0433_00201 C36H38N4O8 17 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) VCCUOZSDXVZCSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0433_00202 C18H39NO2 18 CCCCCCCCCCCCCCCC(C(CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 OTKJDMGTUTTYMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0433_00203 C24H40O4 18 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) RUDATBOHQWOJDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0433_00204 C30H46O4 18.9 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0433_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00206 C30H50O2 20.2 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3 XUARCIYIVXVTAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0433_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 NCYCYZXNIZJOKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00209 C34H38N4O4 20.7 CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42) NCAJWYASAWUEBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) +0433_00210 C27H44O2 21.7 CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3 YIKKMWSQVKJCOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0433_00211 C27H44O 25 CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3 NYOXRYYXRWJDKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/0433/0433_rtdata_isomeric_failed.tsv b/processed_data/0433/0433_rtdata_isomeric_failed.tsv new file mode 100644 index 000000000..3860ef514 --- /dev/null +++ b/processed_data/0433/0433_rtdata_isomeric_failed.tsv @@ -0,0 +1,98 @@ +id name formula rt smiles.std status inchi.std inchikey.std +0433_00001 C4H11NO2 0.6 missing SMILES +0433_00002 C5H9N3 0.6 missing SMILES +0433_00008 C2H7NO2S 0.7 missing SMILES +0433_00009 C4H9NO2 0.7 missing SMILES +0433_00010 C8H12N2O2 0.7 missing SMILES +0433_00015 C7H8N2O 0.7 missing SMILES +0433_00017 C4H9NO2 0.7 missing SMILES +0433_00018 C9H13NO3 0.7 missing SMILES +0433_00019 C5H11N3O2 0.7 missing SMILES +0433_00022 C5H11NO2 0.7 missing SMILES +0433_00025 C3H7NO2 0.7 missing SMILES +0433_00030 C7H12N2O3 0.7 missing SMILES +0433_00034 C5H11NO2 0.7 missing SMILES +0433_00035 C2H7N3 0.7 missing SMILES +0433_00040 C4H9NO2S 0.7 missing SMILES +0433_00042 C7H14N2O4 0.7 missing SMILES +0433_00050 C3H9N 0.7 missing SMILES +0433_00052 C2H7NO3S 0.7 missing SMILES +0433_00055 C3H9NO 0.7 missing SMILES +0433_00056 C10H19N5O7 0.7 missing SMILES +0433_00058 C4H4N2O2 0.7 missing SMILES +0433_00061 C4H6N4O 0.7 missing SMILES +0433_00064 C5H5N5 0.8 missing SMILES +0433_00065 C4H7NO3 0.8 missing SMILES +0433_00067 C6H7N5 0.9 missing SMILES +0433_00068 C7H5NO4 0.9 missing SMILES +0433_00069 C6H5NO2 0.9 missing SMILES +0433_00070 C10H12N2O4 1 missing SMILES +0433_00071 C6H13NO2 1 missing SMILES +0433_00074 C5H11NO2 1 missing SMILES +0433_00075 C8H11NO2 1 missing SMILES +0433_00076 C6H5NO2 1 missing SMILES +0433_00080 C6H13NO2 1.2 missing SMILES +0433_00082 C10H12N5O6P 1.2 missing SMILES +0433_00083 C8H11NO 1.2 missing SMILES +0433_00085 C6H7N5 1.3 missing SMILES +0433_00086 C4H7NO 1.3 missing SMILES +0433_00087 C8H10NO6P 1.3 missing SMILES +0433_00088 C5H4N4 1.3 missing SMILES +0433_00092 C6H5NO3 1.4 missing SMILES +0433_00095 C9H10N2O3 1.6 missing SMILES +0433_00096 C10H12N2O 1.6 missing SMILES +0433_00098 C9H13NO2 1.7 missing SMILES +0433_00100 C9H11NO3 1.7 missing SMILES +0433_00106 C5H9NO 2.1 missing SMILES +0433_00108 C7H8N4O3 2.2 missing SMILES +0433_00109 C4H10O3PS 2.3 missing SMILES +0433_00110 C6H8N2O2 2.3 missing SMILES +0433_00111 C7H9N5 2.4 missing SMILES +0433_00112 C7H10O4 2.5 missing SMILES +0433_00114 C7H8N4O3 2.6 missing SMILES +0433_00118 C5H8O4 2.8 missing SMILES +0433_00120 C14H22N2O3 2.8 missing SMILES +0433_00123 C7H13NO3 3.4 missing SMILES +0433_00125 C10H12N2 3.4 missing SMILES +0433_00126 C6H10O2 3.5 missing SMILES +0433_00127 C7H12O3 3.6 missing SMILES +0433_00128 C7H7NO 3.6 missing SMILES +0433_00129 C8H6O4 3.8 missing SMILES +0433_00131 C9H9NO3 3.9 missing SMILES +0433_00132 C12H14N2O2 4 missing SMILES +0433_00134 C10H7NO2 4.1 missing SMILES +0433_00135 C8H10N4O3 4.1 missing SMILES +0433_00137 C6H10O2 4.3 missing SMILES +0433_00139 C10H11NO3 4.6 missing SMILES +0433_00143 C17H22N2O 5.8 missing SMILES +0433_00144 C12H11N7 5.8 missing SMILES +0433_00148 C11H11NO3 6.4 missing SMILES +0433_00150 C11H13NO2 7.1 missing SMILES +0433_00151 C8H14O4 7.2 missing SMILES +0433_00152 C13H16N2O2 7.4 missing SMILES +0433_00154 C14H6O8 8.3 missing SMILES +0433_00155 C9H11NO2 8.4 missing SMILES +0433_00157 C11H11NO2 9.2 missing SMILES +0433_00158 C16H21NO2 9.2 missing SMILES +0433_00160 C9H16O4 9.3 missing SMILES +0433_00161 C17H21NO 9.5 missing SMILES +0433_00163 C8H7NO 9.8 missing SMILES +0433_00164 C10H12O3 9.9 missing SMILES +0433_00165 C15H10O4 9.9 missing SMILES +0433_00166 C17H19N3O3S 10.3 missing SMILES +0433_00168 C15H10O6 10.8 missing SMILES +0433_00169 C27H38N2O4 10.8 missing SMILES +0433_00170 C15H14O5 10.9 missing SMILES +0433_00171 C15H10O5 11 missing SMILES +0433_00172 C19H24N2 11.4 missing SMILES +0433_00174 C15H10O6 11.6 missing SMILES +0433_00175 C10H12O2 11.7 missing SMILES +0433_00177 C11H20O4 12.6 missing SMILES +0433_00184 C12H22O4 13.9 missing SMILES +0433_00186 C12H24O3 14.2 missing SMILES +0433_00191 C13H24O4 15 missing SMILES +0433_00194 C13H18O2 16 missing SMILES +0433_00199 C12H24O3 16.5 missing SMILES +0433_00200 C34H38N4O6 16.7 missing SMILES +0433_00201 C36H38N4O8 17 missing SMILES +0433_00209 C34H38N4O4 20.7 missing SMILES diff --git a/processed_data/0433/0433_rtdata_isomeric_success.tsv b/processed_data/0433/0433_rtdata_isomeric_success.tsv new file mode 100644 index 000000000..d3397205d --- /dev/null +++ b/processed_data/0433/0433_rtdata_isomeric_success.tsv @@ -0,0 +1,115 @@ +id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment +0433_00003 C10H19N3O5 0.6 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 OAMLVOVXNKILLQ-BQBZGAKWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) +0433_00004 C6H14N2O3 0.6 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00005 C6H11N3O 0.6 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0433_00006 C5H12N2O2 0.6 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00007 C6H14N2O2 0.6 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00011 C9H17NO4 0.7 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) +0433_00012 C4H9NO2 0.7 CC[C@@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 QWCKQJZIFLGMSD-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00013 C6H14NO8P 0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 XHMJOUIAFHJHBW-UKFBFLRUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) +0433_00014 C7H14N2O4S 0.7 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ILRYLPWNYFXEMH-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00016 C10H14N5O8P 0.7 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0433_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 UDMBCSSLTHHNCD-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) +0433_00021 C5H11NO2 0.7 CC(C)[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00024 C9H14N4O3 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) +0433_00026 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 FBPFZTCFMRRESA-JGWLITMVSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00027 C7H11N3O2 0.7 CN1C=C(N=C1)C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 BRMWTNUJHUMWMS-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00028 C3H7NO3 0.7 C([C@@H](C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 MTCFGRXMJLQNBG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00029 C5H9NO2 0.7 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)[C@@H](C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 VBOQYPQEPHKASR-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00032 C6H9N3O2 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) +0433_00036 C4H9NO3 0.7 C(CO)[C@@H](C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00037 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00038 C6H14O6 0.7 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00039 C5H12O5 0.7 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) +0433_00041 C5H9NO4 0.7 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00043 C6H13O9P 0.7 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds 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(CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00097 C10H12N2O 1.6 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) +0433_00099 C10H12N4O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 VGONTNSXDCQUGY-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0433_00101 C10H13N5O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 YKBGVTZYEHREMT-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) +0433_00102 C10H12N5O6P 1.8 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) +0433_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00104 C10H12N4O6 1.9 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1 UBORTCNDUKBEOP-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00105 C12H13N5O3 2 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1 XQQIMTUYVDUWKJ-DJLDLDEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry +0433_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) +0433_00113 C9H13NO 2.6 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) +0433_00115 C6H11NO3S 2.6 CSCC[C@@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 PYUSHNKNPOHWEZ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00116 C9H17NO5 2.7 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) +0433_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) +0433_00119 C13H22N4O3S 2.8 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) +0433_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) +0433_00122 C16H28N4O4S 3.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 BAQMYDQNMFBZNA-MNXVOIDGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0433_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 KVNPSKDDJARYKK-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) +0433_00133 C16H18O9 4 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) +0433_00136 C11H15N5O3S 4.3 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) +0433_00138 C9H8O4 4.5 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) +0433_00140 C15H14O6 5.2 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) +0433_00141 C10H16N2O3S 5.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) +0433_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 FVTCRASFADXXNN-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) +0433_00145 C14H18N2O5 5.9 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) +0433_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) +0433_00147 C11H13NO3 6.4 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) +0433_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1 SCNILGOVBBRMBK-SDBHATRESA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) +0433_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1 UDQCRUSSQAXPJY-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) +0433_00156 C28H34O15 8.7 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 QUQPHWDTPGMPEX-QJBIFVCTSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) +0433_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ PLVPPLCLBIEYEA-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) +0433_00162 C18H25NO 9.5 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) +0433_00167 C10H10O3 10.4 COC1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ AFDXODALSZRGIH-QPJJXVBHSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) +0433_00173 C21H30O5 11.4 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00176 C10H14O 12.5 CC1=CC[C@@H](CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 ULDHMXUKGWMISQ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) +0433_00178 C21H30O4 12.8 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00179 C21H30O3 13.2 CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1 BFZHCUBIASXHPK-ODYOLWGQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0433_00180 C14H14O3 13.4 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) +0433_00181 C19H26O2 13.5 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 AEMFNILZOJDQLW-QAGGRKNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00182 C20H24O2 13.7 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 BFPYWIDHMRZLRN-SLHNCBLASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) +0433_00183 C21H30O3 13.9 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 ZESRJSPZRDMNHY-YFWFAHHUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) +0433_00185 C22H28O3 14 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) +0433_00187 C19H28O2 14.5 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 FMGSKLZLMKYGDP-USOAJAOKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00188 C21H30O3 14.5 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 DBPWSSGDRRHUNT-CEGNMAFCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) +0433_00189 C19H28O2 14.8 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1 RAJWOBJTTGJROA-WZNAKSSCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00190 C26H45NO7S 14.9 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 WBWWGRHZICKQGZ-HZAMXZRMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) +0433_00192 C26H43NO6 15.6 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 RFDAIACWWDREDC-FRVQLJSFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) +0433_00193 C21H28O2 15.6 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 VRRHHTISESGZFN-RKFFNLMFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) +0433_00195 C19H30O2 16.2 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 QGXBDMJGAMFCBF-HLUDHZFRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) +0433_00196 C22H27NO2 16.2 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 POZRVZJJTULAOH-LHZXLZLDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) +0433_00197 C26H45NO6S 16.3 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 AWDRATDZQPNJFN-VAYUFCLWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) +0433_00198 C24H38O4 16.4 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1 DXOCDBGWDZAYRQ-AURDAFMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) +0433_00202 C18H39NO2 18 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) +0433_00203 C24H40O4 18 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) +0433_00204 C30H46O4 18.9 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 MPDGHEJMBKOTSU-YKLVYJNSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0433_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- SHGAZHPCJJPHSC-XFYACQKRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00206 C30H50O2 20.2 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 XUARCIYIVXVTAE-ZAPOICBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) +0433_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ SHGAZHPCJJPHSC-YCNIQYBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-OVSJKPMPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) +0433_00210 C27H44O2 21.7 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 YIKKMWSQVKJCOP-ABXCMAEBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) +0433_00211 C27H44O 25 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 NYOXRYYXRWJDKP-GYKMGIIDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/0433/0433_validation_qspr_outliers.tsv b/processed_data/0433/0433_validation_qspr_outliers.tsv new file mode 100644 index 000000000..4afaf05da --- /dev/null +++ b/processed_data/0433/0433_validation_qspr_outliers.tsv @@ -0,0 +1,7 @@ +id error +0433_00109 5.897337793212231 +0433_00140 5.756892635508652 +0433_00143 4.203242360785684 +0433_00155 4.57998427104475 +0433_00169 4.839764805895033 +0433_00211 4.890107896617881 diff --git a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv b/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv deleted file mode 100644 index 894e1e9bd..000000000 --- a/processed_data/draft_45277/draft_45277_descriptors_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id Wlambda1.unity Wlambda2.unity Wlambda3.unity Wnu1.unity Wnu2.unity Wgamma1.unity Wgamma2.unity Wgamma3.unity Weta1.unity Weta2.unity Weta3.unity WT.unity WA.unity WV.unity WK.unity WG.unity WD.unity BCUTw.1l BCUTw.1h BCUTc.1l BCUTc.1h BCUTp.1l BCUTp.1h Fsp3 XLogP MW LipinskiFailures nRotB MLogP nAtomP nAtomLC nB nBase nAtom nAromBond naAromAtom ALogP ALogp2 AMR nAcid nSmallRings nAromRings nRingBlocks nAromBlocks nRings3 nRings4 nRings5 nRings6 nRings7 nRings8 nRings9 tpsaEfficiency Zagreb WPATH WPOL WTPT.1 WTPT.2 WTPT.3 WTPT.4 WTPT.5 VAdjMat VABC TopoPSA topoShape geomShape PetitjeanNumber MDEC.11 MDEC.12 MDEC.13 MDEC.14 MDEC.22 MDEC.23 MDEC.24 MDEC.33 MDEC.34 MDEC.44 MDEO.11 MDEO.12 MDEO.22 MDEN.11 MDEN.12 MDEN.13 MDEN.22 MDEN.23 MDEN.33 khs.sLi khs.ssBe khs.ssssBe khs.ssBH khs.sssB khs.ssssB khs.sCH3 khs.dCH2 khs.ssCH2 khs.tCH khs.dsCH khs.aaCH khs.sssCH khs.ddC khs.tsC khs.dssC khs.aasC khs.aaaC khs.ssssC khs.sNH3 khs.sNH2 khs.ssNH2 khs.dNH khs.ssNH khs.aaNH khs.tN khs.sssNH khs.dsN khs.aaN khs.sssN khs.ddsN khs.aasN khs.ssssN khs.sOH khs.dO khs.ssO khs.aaO khs.sF khs.sSiH3 khs.ssSiH2 khs.sssSiH khs.ssssSi khs.sPH2 khs.ssPH khs.sssP khs.dsssP khs.sssssP khs.sSH khs.dS khs.ssS khs.aaS khs.dssS khs.ddssS khs.sCl khs.sGeH3 khs.ssGeH2 khs.sssGeH khs.ssssGe khs.sAsH2 khs.ssAsH khs.sssAs khs.sssdAs khs.sssssAs khs.sSeH khs.dSe khs.ssSe khs.aaSe khs.dssSe khs.ddssSe khs.sBr khs.sSnH3 khs.ssSnH2 khs.sssSnH khs.ssssSn khs.sI khs.sPbH3 khs.ssPbH2 khs.sssPbH khs.ssssPb Kier1 Kier2 Kier3 HybRatio fragC FMF ECCEN SP.0 SP.1 SP.2 SP.3 SP.4 SP.5 SP.6 SP.7 VP.0 VP.1 VP.2 VP.3 VP.4 VP.5 VP.6 VP.7 SPC.4 SPC.5 SPC.6 VPC.4 VPC.5 VPC.6 SC.3 SC.4 SC.5 SC.6 VC.3 VC.4 VC.5 VC.6 SCH.3 SCH.4 SCH.5 SCH.6 SCH.7 VCH.3 VCH.4 VCH.5 VCH.6 VCH.7 C1SP1 C2SP1 C1SP2 C2SP2 C3SP2 C1SP3 C2SP3 C3SP3 C4SP3 ATSp1 ATSp2 ATSp3 ATSp4 ATSp5 ATSm1 ATSm2 ATSm3 ATSm4 ATSm5 ATSc1 ATSc2 ATSc3 ATSc4 ATSc5 nHBDon nHBAcc PPSA.1 PPSA.2 PPSA.3 PNSA.1 PNSA.2 PNSA.3 DPSA.1 DPSA.2 DPSA.3 FPSA.1 FPSA.2 FPSA.3 FNSA.1 FNSA.2 FNSA.3 WPSA.1 WPSA.2 WPSA.3 WNSA.1 WNSA.2 WNSA.3 RPCG RNCG RPCS RNCS THSA TPSA RHSA RPSA bpol apol MOMI.X MOMI.Y MOMI.Z MOMI.XY MOMI.XZ MOMI.YZ MOMI.R LOBMAX LOBMIN GRAV.1 GRAV.2 GRAV.3 GRAVH.1 GRAVH.2 GRAVH.3 GRAV.4 GRAV.5 GRAV.6 -draft_45277_00001 11.996461355192546 15.998258892041632 -0.41987178406289943 0.08163862365492416 3.8393010800953498 6.258786191060367 1 -1.5940000000000003 105.13580494141051 0 4 1.5699999999999998 0 7 6 1 18 0 0 -1.2945999999999998 1.6759891599999994 27.278000000000002 0 0 0 0 0 0 0 0 0 0 0 0 0.499529027207709 22 56 4 12.83378877709787 1.8333983967282672 7.6560921676911455 4.802538777097871 2.853553390593274 3.584962500721156 52.489999999999995 1 0.5 0 0 0 0 2.94168275343288 0 0 0 0 0 0.16666666666666669 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 6 6 1 247.03 0 54 5.535533905932738 3.414213562373095 2.060660171779821 1.2071067811865475 0.6767766952966369 0.35355339059327373 0.17677669529663687 0 4.222854315746106 2.3395623132202235 1.1972135954999579 0.5771601883432527 0.283113883008419 0.11180339887498948 0.025 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 203.79731861962904 185.95326534863295 153.65892562304697 115.01928062109384 76.75360482324223 8.908918372358372 6.99654782062602 5.99654782062602 5.106923194133232 3.6641839542651304 0.2534908277991738 -0.09113948584075277 -0.12470055885936486 0.14345571617328765 -0.014243855848875027 3 3 12.685276999999997 17.078723 -draft_45277_00002 11.9935980164575 14.00950897769699 -0.36339908439106294 0.07306421892059435 4.835589675100741 7.7395060240610345 0.4 -0.748 111.14525588948014 0 2 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63,67,94,134,143,199,317,319,360,363,405,422,458,479,515,517,524,550,576,600,614,662,666,675,686,693,787,948,968,982,984,1017 -draft_45277_00068 20,68,94,134,211,255,313,321,353,405,430,456,487,508,549,550,580,585,605,626,628,630,725,727,928,968,981,1007 -draft_45277_00069 20,47,74,94,96,134,392,405,437,456,487,508,550,580,585,605,626,670,681,727,839,855,968 -draft_45277_00070 20,68,83,94,107,109,114,118,132,134,141,153,207,211,231,240,279,283,304,353,481,487,508,511,534,545,550,563,587,626,635,640,726,727,781,825,859,887,898,968,1022 -draft_45277_00071 20,77,94,153,391,424,436,480,481,497,508,530,556,592,626,727,752,778,803,864,913,976 -draft_45277_00072 15,54,57,64,67,89,120,122,129,132,134,139,153,161,163,168,245,266,309,319,337,347,386,405,422,446,452,461,481,486,506,508,524,530,555,582,584,588,609,615,626,631,662,669,671,692,693,743,763,783,784,791,792,823,836,850,860,868,887,889,920,930,936,954,964,968,974,1019 -draft_45277_00073 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20,26,94,110,134,141,142,153,207,241,333,480,481,508,511,626,727,802,948,968 -draft_45277_00081 20,52,94,107,141,153,207,236,254,406,454,465,481,508,544,626,727,802,868,948,994 -draft_45277_00082 19,56,65,89,134,139,146,153,172,192,252,269,311,313,319,326,330,338,374,379,388,405,422,436,443,459,461,464,467,481,486,492,508,524,525,539,558,564,566,580,609,625,626,629,678,690,727,728,755,783,791,805,807,816,887,919,959,960,968,974,975,1009 -draft_45277_00083 49,77,134,153,178,181,270,281,356,481,550,620,626,640,676,733,749,786,817,913,947,968,970 -draft_45277_00084 20,39,49,94,107,118,141,153,207,297,481,508,527,626,635,727,802,852,948,949 -draft_45277_00085 28,134,256,298,317,370,405,422,479,486,511,516,542,580,640,662,672,691,705,750,776,787,820,828,905,935,948,960,968,989,998,1006 -draft_45277_00086 15,134,201,204,226,233,237,245,508,577,662,1022 -draft_45277_00087 32,57,96,102,134,153,199,220,221,234,264,266,278,328,347,349,387,393,405,469,499,508,537,580,588,614,626,640,659,692,708,719,725,734,763,793,824,850,948,954,968,1000 -draft_45277_00088 85,134,268,317,366,385,393,405,408,422,479,486,511,580,581,662,691,741,772,787,796,797,905,968,994 -draft_45277_00089 15,89,122,134,139,153,155,167,169,199,236,245,277,311,326,330,434,452,461,506,508,524,569,582,612,626,632,657,662,766,782,791,805,806,836,850,920,930,936,952,964,968,974,1019 -draft_45277_00090 20,62,94,107,118,141,153,207,231,250,335,441,481,494,508,626,635,679,727,778,826,948,994,1017 -draft_45277_00091 20,94,107,153,167,186,207,226,289,387,479,508,516,602,626,673,727,739,762,797,948,960,1006 -draft_45277_00092 6,20,94,108,134,146,194,245,289,420,436,443,452,456,479,498,508,523,626,662,727,731,766,799,896,968 -draft_45277_00093 64,67,89,120,129,132,134,139,153,163,168,199,207,244,245,309,311,319,326,327,330,337,369,374,405,422,461,481,486,506,508,524,532,582,615,626,631,638,662,669,680,719,720,783,791,792,797,860,868,876,887,889,919,936,968,974 -draft_45277_00094 67,77,89,132,134,137,139,153,163,168,199,207,244,245,311,317,319,326,327,330,369,374,405,422,436,461,479,486,508,524,544,582,614,626,631,638,662,680,699,704,719,720,783,787,791,797,831,836,866,919,936,963,968,974 -draft_45277_00095 20,94,128,134,153,176,201,206,256,270,285,297,359,374,444,445,480,481,508,510,516,550,617,626,635,716,727,862,871,887,897,927,968 -draft_45277_00096 29,50,77,134,142,153,293,354,356,372,383,465,479,481,515,522,541,550,615,626,640,654,662,676,762,778,786,797,812,813,833,849,893,896,913,940,947,968,974 -draft_45277_00097 15,73,81,89,115,116,126,134,149,245,272,332,351,380,385,391,393,405,419,454,482,487,508,524,550,585,683,686,706,725,743,772,898,905,948,968,1022 -draft_45277_00098 4,77,134,145,153,175,181,201,226,270,281,337,347,353,356,369,408,481,515,549,550,571,626,640,666,705,706,711,778,786,858,913,948,968 -draft_45277_00099 15,67,77,89,122,132,134,137,139,153,168,199,245,311,317,319,326,330,386,405,422,436,461,479,486,508,524,530,544,582,614,626,631,632,662,671,699,704,722,782,783,787,791,836,846,850,866,920,930,936,964,968,974,1019 -draft_45277_00100 20,36,51,52,75,94,96,107,118,134,141,153,207,278,283,298,315,335,353,481,487,508,533,550,626,635,640,675,696,719,727,945,968,989 -draft_45277_00101 15,64,67,89,120,122,129,132,134,139,153,163,168,199,245,309,311,319,326,330,337,386,405,422,461,481,486,506,508,524,530,582,609,615,626,631,632,662,669,671,782,783,791,792,823,836,850,860,868,887,889,920,930,936,964,968,974,1019 -draft_45277_00102 4,15,19,32,56,65,89,124,134,139,146,163,172,192,238,252,269,288,319,326,369,383,405,422,436,453,461,464,481,486,508,524,525,539,540,558,566,580,598,625,626,629,678,690,701,711,719,728,755,783,815,816,887,905,908,919,936,952,959,960,968,974,975,979,1009 -draft_45277_00103 19,44,56,65,89,124,134,139,153,163,172,192,199,207,311,319,326,327,330,369,374,405,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,887,919,936,959,960,968,974,975 -draft_45277_00104 89,96,103,132,134,135,139,153,163,164,184,199,207,223,245,307,311,319,326,327,330,337,368,369,374,405,422,461,506,508,524,582,585,592,626,631,638,662,680,696,698,719,727,783,791,867,919,936,943,968,974,981,990,1007 -draft_45277_00105 15,67,89,103,122,132,134,137,139,143,149,153,199,306,307,309,311,316,319,326,330,386,394,405,409,422,461,524,530,550,578,586,618,626,631,632,652,657,671,698,722,773,782,783,791,836,850,865,920,930,934,936,964,968,974,1019 -draft_45277_00106 15,60,134,201,204,226,233,237,245,295,404,508,523,662,665,933,983,1022 -draft_45277_00107 15,89,122,134,139,153,173,185,199,220,245,311,326,330,340,370,379,461,506,508,524,533,538,569,575,580,582,626,632,649,662,671,675,782,791,806,836,841,850,918,920,930,936,948,964,968,974,1019 -draft_45277_00108 15,34,41,61,88,134,151,188,204,212,245,274,298,335,374,506,508,524,585,598,603,662,686,696,757,779,806,923,948,984 -draft_45277_00109 88,102,138,153,217,256,347,411,504,505,763,820,877,883,948,954,994 -draft_45277_00110 134,245,264,266,416,452,464,491,508,524,528,576,585,623,638,657,686,769,877,948,955,968,986,987 -draft_45277_00111 117,134,144,265,292,317,370,405,422,479,486,511,580,613,626,655,662,670,691,705,750,787,828,882,905,948,958,960,968,981,989,1006 -draft_45277_00112 20,21,94,118,130,153,249,257,358,466,480,508,530,548,626,677,727,752,762,774,900,948 -draft_45277_00113 34,96,134,141,145,151,167,194,207,217,363,390,421,481,487,550,601,626,647,753,802,857,948,968 -draft_45277_00114 78,134,151,223,238,243,245,266,274,311,321,404,506,508,510,516,524,585,603,657,662,686,696,754,859,867,923,933,948,981,984 -draft_45277_00115 20,56,94,107,153,188,207,231,250,278,363,387,480,508,516,523,602,626,673,709,723,727,811,850,881,915,948,992,995,996,1015 -draft_45277_00116 20,94,144,145,153,198,207,270,313,326,353,360,390,434,480,493,503,508,516,529,530,535,541,554,626,669,681,727,752,766,857,886,917,948,977 -draft_45277_00117 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 -draft_45277_00118 12,20,94,126,153,185,257,343,347,361,480,505,508,539,544,626,640,663,727,893,948,994 -draft_45277_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 -draft_45277_00120 20,45,51,53,134,153,181,206,207,227,235,260,265,270,278,281,288,292,341,347,390,392,429,440,446,481,508,516,522,550,589,626,649,702,727,728,779,790,800,802,812,820,874,943,948,968,1019 -draft_45277_00121 20,52,64,94,96,107,118,134,141,153,182,207,272,372,383,389,407,479,481,487,503,508,550,603,626,635,654,662,714,727,762,778,786,797,812,849,893,896,921,951,968,989 -draft_45277_00122 15,20,79,80,89,93,94,107,118,121,123,134,137,141,153,159,172,185,207,225,231,245,250,264,270,301,360,366,374,381,392,422,441,479,480,481,493,497,508,516,528,530,547,553,562,626,635,643,647,660,662,679,709,722,727,734,743,773,778,789,887,891,913,952,981,1003,1008,1023 -draft_45277_00123 20,49,94,128,153,179,207,270,349,366,439,480,501,508,511,516,523,598,626,727,802,871,885,900,927,948 -draft_45277_00124 20,62,93,94,96,107,134,141,145,153,207,210,230,251,270,310,352,421,427,459,480,481,487,498,508,511,516,550,558,588,602,626,635,667,673,727,732,739,840,842,917,952,968,989 -draft_45277_00125 77,96,134,142,153,272,356,372,383,389,458,465,479,481,487,503,522,550,603,654,662,714,762,778,786,797,812,813,893,896,913,940,968 -draft_45277_00126 3,15,89,134,138,167,237,245,260,309,405,417,461,508,534,545,688,722,763,772,775,948,1022 -draft_45277_00127 15,20,35,58,89,94,179,364,454,456,508,600,626,677,727,742,772,818,863,934,936 -draft_45277_00128 20,96,123,134,145,298,341,421,432,449,481,487,508,550,727,773,897,898,968 -draft_45277_00129 20,31,68,94,96,134,211,237,366,456,487,508,550,626,727,847,928,968 -draft_45277_00130 20,52,64,94,107,118,134,141,153,199,207,260,289,322,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,635,654,662,727,762,778,797,812,833,849,896,921,948,951,968,989 -draft_45277_00131 20,94,96,128,134,138,145,153,206,256,270,297,298,359,374,421,445,480,487,508,510,516,550,626,727,818,871,897,898,927,968 -draft_45277_00132 20,29,50,104,134,153,155,257,270,272,354,360,372,383,425,479,508,515,516,522,541,550,595,615,626,633,640,654,662,676,727,762,778,786,797,812,813,833,843,849,893,896,940,947,948,960,968,974 -draft_45277_00133 15,20,21,26,27,73,89,94,120,134,141,147,148,213,226,304,313,347,353,369,371,381,430,476,490,508,515,538,543,547,550,551,570,598,599,600,626,640,675,712,717,719,727,735,737,762,768,777,819,822,825,836,850,855,856,888,910,924,936,940,968 -draft_45277_00134 20,47,63,94,96,134,177,183,200,219,370,405,456,476,487,494,508,550,577,606,613,625,626,702,727,753,824,831,841,876,935,962,968,1012 -draft_45277_00135 7,15,41,78,131,134,225,238,245,262,266,311,404,412,506,508,524,549,558,585,603,657,662,686,696,789,803,806,940,948,969,1011 -draft_45277_00136 6,14,19,44,56,65,89,124,134,139,153,163,172,192,244,281,306,319,369,374,405,415,422,436,461,464,481,486,524,525,558,566,580,625,626,629,638,678,680,690,719,728,755,783,791,881,887,915,919,936,948,959,960,968,974,975,1015,1017 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57,105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,266,292,310,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,524,525,532,538,559,582,585,588,596,607,615,616,626,647,658,662,668,692,704,710,746,757,763,775,821,841,892,914,919,934,948,954,968,981,1006,1018,1024 -draft_45277_00143 15,96,134,144,145,153,176,214,280,347,392,405,421,430,480,487,521,523,547,550,580,585,605,611,655,670,678,718,741,778,784,802,813,844,847,892,924,948,968,977,983,1001,1006 -draft_45277_00144 94,96,134,145,182,207,213,231,249,251,278,286,289,308,314,335,395,396,405,421,481,487,496,514,522,525,529,550,613,623,652,678,713,714,750,887,906,968,981,987,999 -draft_45277_00145 20,60,62,93,94,96,134,141,145,153,207,210,230,251,265,270,300,347,352,417,421,427,459,479,480,481,487,508,511,516,517,549,550,558,588,626,635,667,673,727,739,840,863,916,917,948,952,968,989,999 -draft_45277_00146 105,119,131,134,153,166,184,207,211,220,221,240,245,253,262,310,326,367,390,394,399,400,403,405,411,423,467,489,495,506,508,515,524,525,532,538,576,582,585,596,607,615,616,626,647,658,662,668,697,704,710,746,841,874,892,919,928,934,948,968,1006,1018,1024 -draft_45277_00147 20,62,94,96,107,134,145,153,167,207,210,230,251,270,310,407,421,487,508,516,550,558,588,602,626,673,727,739,762,781,797,842,948,960,968,989 -draft_45277_00148 20,35,64,94,96,107,134,153,155,196,205,207,272,372,383,389,390,407,479,487,503,508,531,550,582,603,626,654,662,714,727,762,778,786,797,812,893,896,968,985,989 -draft_45277_00149 8,44,65,89,91,96,134,139,145,153,163,172,179,192,199,207,311,319,326,327,330,369,374,381,385,403,405,421,422,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,678,680,694,709,719,747,783,791,824,880,887,907,919,936,949,959,968,971,974,975,1003 -draft_45277_00150 107,134,153,199,260,326,330,333,342,347,372,383,408,421,479,505,515,522,541,549,550,591,626,654,662,666,675,704,737,762,778,786,797,812,813,833,896,940,948,968 -draft_45277_00151 20,94,153,391,480,497,508,530,556,626,727,752,778,803,918,976 -draft_45277_00152 20,104,107,134,153,155,199,257,260,270,272,330,333,347,360,372,383,421,425,479,505,508,515,516,522,541,549,550,591,595,633,654,662,704,727,762,778,786,797,812,813,833,843,896,940,948,960,968 -draft_45277_00153 64,65,96,134,141,153,173,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,701,714,747,762,778,786,797,812,867,893,896,968,989 -draft_45277_00154 42,134,163,173,177,188,245,328,353,361,461,505,508,515,563,575,577,626,638,640,651,654,656,683,747,748,752,769,774,858,968 -draft_45277_00155 20,134,151,153,176,201,219,347,394,481,505,508,544,550,617,635,663,665,699,716,727,736,862,878,887,897,945,948,968,994 -draft_45277_00156 4,15,35,44,73,89,110,128,129,134,153,170,192,197,200,206,210,215,220,226,245,260,264,282,299,303,311,316,320,334,336,347,353,362,369,392,399,405,423,435,444,461,473,486,504,508,512,515,534,540,547,549,550,555,562,575,579,618,624,626,628,636,640,656,657,660,661,683,701,705,709,719,724,727,734,778,785,787,791,793,796,816,863,882,904,936,948,962,968,974,994,1023 -draft_45277_00157 20,94,96,99,134,153,158,272,372,383,389,457,479,480,487,503,508,522,530,550,603,626,654,662,714,727,752,762,777,778,786,797,812,813,881,893,896,940,968 -draft_45277_00158 15,51,53,63,67,80,96,117,134,153,155,181,206,207,227,229,235,265,292,346,347,390,392,408,487,516,550,577,580,616,626,649,657,705,725,739,764,779,781,790,800,802,813,897,928,935,947,948,968,1019 -draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 -draft_45277_00160 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00161 61,96,134,144,145,153,160,167,207,233,302,315,347,363,373,418,421,430,487,523,550,601,645,647,655,670,685,688,844,847,925,948,968 -draft_45277_00162 1,11,14,15,24,26,40,60,85,89,94,104,118,134,166,167,168,175,195,220,222,235,237,260,261,292,312,316,337,347,421,445,473,492,496,501,505,515,524,540,549,550,589,596,618,666,686,687,751,763,772,778,792,812,883,903,948,968 -draft_45277_00163 96,134,159,251,272,298,319,383,389,479,487,503,536,550,626,640,647,654,662,714,762,786,797,896,897,968 -draft_45277_00164 12,20,21,51,77,80,94,109,134,153,209,260,270,305,347,403,421,457,480,487,505,508,515,530,549,550,588,626,633,643,711,727,752,778,781,786,948,968 -draft_45277_00165 15,29,33,83,114,126,134,204,245,256,272,290,335,364,461,499,508,515,532,548,550,620,626,640,654,663,676,694,717,733,756,759,782,801,827,917,925,927,936,947,950,968,1006 -draft_45277_00166 14,34,48,63,116,129,134,153,186,220,260,267,286,299,330,339,347,350,356,367,393,405,421,437,451,458,464,505,506,508,515,542,549,550,560,580,585,596,615,650,662,664,669,681,710,724,744,778,787,797,805,812,819,848,889,924,928,929,939,947,948,968 -draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 -draft_45277_00168 9,15,17,30,134,159,223,226,243,245,335,353,359,361,369,381,438,446,461,476,508,513,515,529,550,554,570,573,626,640,661,676,683,736,748,750,759,766,772,827,836,899,935,936,947,968,970,978,997 -draft_45277_00169 2,4,74,112,123,134,144,151,153,182,207,214,228,255,268,270,281,288,306,307,320,327,335,347,377,378,420,430,482,515,522,549,550,568,572,647,670,700,705,706,707,709,711,738,778,786,802,835,844,863,871,884,909,916,941,948,968,990,999 -draft_45277_00170 12,17,20,49,101,117,134,141,153,178,216,270,281,282,302,339,353,508,515,530,550,563,620,626,640,657,676,727,733,743,786,911,927,947,951,968,970,1020 -draft_45277_00171 15,16,17,33,83,89,114,134,245,256,290,335,353,364,394,435,461,499,508,515,523,529,550,560,620,626,640,661,663,676,683,717,733,750,759,801,826,827,874,918,925,936,947,950,968 -draft_45277_00172 1,15,67,96,103,134,144,153,219,254,262,309,310,354,482,487,498,507,513,524,550,612,655,658,670,734,748,778,797,844,847,923,928,948,962,968,969,1006,1022 -draft_45277_00173 5,15,19,20,21,25,26,89,107,117,134,148,153,165,214,222,245,255,267,269,285,288,308,311,315,326,343,351,357,361,399,401,408,450,490,492,499,503,508,513,517,558,566,580,603,614,626,647,656,727,742,744,772,819,836,840,855,898,900,926,936,948,968,996,1014,1022 -draft_45277_00174 15,16,17,26,93,98,134,245,326,335,350,353,379,438,459,461,499,500,508,515,529,550,620,626,640,661,676,683,733,748,750,759,780,797,798,827,835,918,922,935,936,947,968,1006,1007 -draft_45277_00175 20,94,96,107,132,134,145,153,167,207,248,254,419,421,455,487,508,512,550,601,626,628,647,727,887,948,968,994,1000 -draft_45277_00176 15,20,44,56,58,89,115,134,138,160,220,245,274,302,307,364,454,473,508,512,540,649,660,666,762,871,934,948,968,971,1008 -draft_45277_00177 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00178 5,7,14,15,20,21,25,26,45,49,88,89,117,134,148,153,165,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,408,490,492,499,508,513,547,566,603,614,626,647,656,671,727,742,772,782,816,825,855,898,926,930,948,949,968,1014,1022,1024 -draft_45277_00179 1,15,19,20,21,25,26,89,107,117,134,148,214,222,236,245,255,256,267,269,282,285,308,315,338,342,343,351,357,399,401,427,492,499,506,508,510,513,517,558,566,603,617,618,626,633,698,727,742,762,772,819,836,840,841,857,898,936,948,968,995,996,1022 -draft_45277_00180 20,22,75,94,107,115,123,126,134,207,260,263,347,349,350,378,421,505,508,515,517,549,550,577,606,626,647,651,708,727,735,778,802,812,820,822,849,948,962,968,1001 -draft_45277_00181 7,15,21,25,26,49,75,88,89,104,117,134,148,214,222,236,245,255,288,292,308,315,351,357,399,400,492,499,508,513,547,566,586,603,666,676,703,737,742,757,772,782,783,816,898,948,949,951,968,976,1022 -draft_45277_00182 1,14,15,20,26,29,51,68,89,101,134,140,158,161,209,216,222,240,251,267,276,288,315,325,336,350,448,453,467,492,493,499,515,522,550,566,567,577,601,626,640,656,676,716,733,769,772,830,850,855,879,908,909,947,948,968,984,1008,1009,1011,1014,1022 -draft_45277_00183 7,15,20,21,25,26,49,60,88,89,99,117,134,148,153,214,222,236,245,255,285,288,293,308,314,315,326,338,342,351,357,399,492,499,508,513,538,547,566,603,615,618,626,633,698,727,742,744,772,782,789,816,821,847,866,877,898,948,949,968,1021,1022 -draft_45277_00184 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00185 3,10,14,15,23,26,36,89,97,134,140,148,157,177,211,214,222,237,239,245,246,265,283,288,301,308,318,320,321,357,363,395,399,412,429,452,461,492,499,508,513,532,534,558,567,614,648,772,787,875,878,898,909,946,948,949,963,968,969,1014,1015,1022 -draft_45277_00186 20,88,94,153,326,391,411,480,497,508,530,556,626,662,666,727,752,778,803,918,942,976 -draft_45277_00187 13,15,25,26,44,53,75,89,104,115,134,144,184,214,222,245,269,274,280,288,292,351,400,458,473,492,499,508,540,547,566,586,626,666,690,696,703,723,757,772,782,783,793,799,818,822,874,936,948,951,968,976,1022 -draft_45277_00188 7,14,15,20,21,25,26,45,49,88,89,117,134,148,158,214,222,236,245,255,285,288,300,308,315,326,351,357,363,399,475,492,499,508,513,547,566,567,568,603,626,647,656,671,727,742,762,772,776,782,816,825,855,898,948,949,968,982,1014,1022 -draft_45277_00189 15,26,67,75,89,93,104,134,159,201,214,222,245,254,285,288,292,399,400,414,416,440,453,485,492,499,508,540,566,586,609,639,666,676,679,697,698,703,746,757,765,772,780,782,783,851,948,949,951,963,1022 -draft_45277_00190 15,20,26,44,45,58,60,77,80,89,92,99,136,146,153,159,161,173,175,207,222,229,231,236,243,244,270,276,285,314,318,332,343,360,366,371,382,401,453,479,480,492,499,508,516,530,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,808,818,836,883,922,933,936,941,948,957,964,970,971,983,1009 -draft_45277_00191 20,94,153,391,480,497,508,530,556,626,662,727,752,778,803,918,976 -draft_45277_00192 15,20,26,44,58,60,77,89,94,128,136,153,159,161,173,175,207,222,229,231,243,244,270,276,278,285,318,332,343,366,371,382,401,439,453,480,492,499,501,508,516,530,584,605,609,618,621,626,655,670,686,690,726,727,746,758,762,769,772,795,802,806,818,836,871,883,922,927,933,936,941,948,957,964,971,983,1009 -draft_45277_00193 7,10,15,20,21,25,26,49,88,89,92,100,117,134,148,199,209,214,222,236,245,255,274,278,288,308,315,351,357,376,399,400,443,458,473,492,499,508,513,547,566,598,603,604,637,727,742,744,762,770,772,782,816,898,902,948,949,968,976,1022 -draft_45277_00194 20,24,49,94,107,134,139,153,197,207,263,270,281,308,350,378,508,517,550,558,588,611,626,647,651,727,744,790,802,948,968,989 -draft_45277_00195 15,26,60,75,89,104,134,159,214,222,244,245,254,285,288,292,400,401,414,417,453,492,499,508,566,586,605,609,626,655,659,666,676,690,692,698,703,746,757,762,772,782,783,818,851,936,948,949,951,952,964,1022 -draft_45277_00196 14,15,17,25,26,38,39,53,89,101,117,121,134,140,161,209,214,216,222,240,255,258,267,282,288,315,354,373,405,448,461,492,499,513,562,566,577,601,610,622,626,656,671,732,742,770,772,782,801,816,825,855,862,909,921,934,939,944,948,949,968,969,973,984,1009,1014,1022 -draft_45277_00197 15,20,26,44,45,60,80,89,92,99,146,153,159,161,207,222,229,231,236,243,244,270,285,314,343,360,366,371,379,401,414,417,453,479,489,492,499,508,516,530,566,605,609,613,618,621,623,626,655,659,670,674,686,690,726,727,758,762,769,772,793,795,802,806,808,818,851,873,883,936,948,949,952,964,970,971,983,1009,1022 -draft_45277_00198 15,20,26,60,89,94,124,134,153,182,207,222,231,244,245,261,285,288,302,330,338,343,401,453,458,470,480,492,494,499,508,530,533,536,540,586,605,609,618,626,644,655,670,677,678,688,690,726,727,752,762,772,795,802,806,814,818,894,907,921,936,944,948,961,964,983 -draft_45277_00199 13,20,62,94,134,153,175,207,225,231,254,282,283,312,390,399,431,436,480,508,511,556,626,662,727,755,778,779,781,826,948,994 -draft_45277_00200 20,21,32,94,95,116,120,122,133,134,148,153,185,191,207,209,218,220,227,332,337,343,345,353,367,390,405,431,438,457,459,461,480,493,506,508,513,518,523,529,530,547,594,615,626,638,662,685,689,704,727,732,752,756,764,769,786,802,832,835,846,880,883,929,934,936,939,948,968,975,976,991,994,1000,1008 -draft_45277_00201 2,4,20,21,33,80,94,134,153,165,185,191,194,204,220,223,227,294,332,360,405,421,438,455,457,461,480,487,493,506,508,513,518,519,529,530,593,594,615,626,634,638,660,662,685,689,727,752,756,786,802,835,846,847,849,855,880,901,915,936,948,968,976,978,991,993,994 -draft_45277_00202 62,105,111,141,142,153,207,225,231,283,326,360,390,399,420,481,496,556,576,626,662,704,755,778,781,794,826,870,917,948,994 -draft_45277_00203 15,20,21,26,58,60,89,94,95,153,207,216,222,231,237,244,261,285,288,330,332,343,382,388,401,453,470,480,492,494,497,499,508,530,586,605,609,618,626,633,655,670,677,688,690,691,726,727,746,752,758,762,772,795,802,806,818,836,933,936,948,961,964,983 -draft_45277_00204 3,14,15,20,26,35,60,89,94,134,135,167,169,179,184,185,193,214,222,238,244,245,285,287,289,321,384,422,423,499,508,513,526,540,556,570,609,626,636,640,654,656,689,696,698,710,711,727,733,769,772,786,790,791,805,819,838,852,855,885,916,920,922,934,936,948,965,968,978,998,1009,1014 -draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00206 14,15,26,27,35,60,80,89,101,134,135,139,153,157,163,174,176,179,187,193,214,222,260,274,282,285,289,299,321,326,333,377,384,394,457,473,482,488,495,499,518,536,540,572,595,611,616,626,636,654,656,746,747,763,769,772,775,780,786,791,818,843,852,916,920,936,948,951,968,1009,1014 -draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 -draft_45277_00209 2,20,21,32,33,34,80,94,95,122,133,134,148,153,185,191,194,204,205,220,227,332,337,360,367,405,438,457,459,461,480,485,493,506,508,513,518,529,530,590,594,615,626,638,660,662,685,689,708,727,732,752,756,776,786,791,799,802,816,832,835,846,847,849,880,915,936,948,968,973,976,991,994 -draft_45277_00210 13,15,18,25,26,49,60,79,89,101,119,124,134,151,153,169,182,184,188,193,207,214,219,222,231,245,258,285,288,327,340,343,351,400,470,492,494,499,508,513,515,540,547,575,586,618,626,690,696,726,727,729,752,772,778,793,795,802,806,814,818,823,874,883,904,936,944,948,961,968,992 -draft_45277_00211 7,13,15,21,25,26,49,60,88,89,99,117,134,148,153,207,214,219,222,231,236,245,255,285,288,308,315,327,331,343,351,357,399,470,492,494,499,508,513,515,547,566,567,586,603,618,698,726,727,742,772,778,782,795,802,806,816,877,883,884,898,904,944,948,949,961,968,992,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv deleted file mode 100644 index b4545ab7a..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_ecfp6_isomeric_success.tsv +++ /dev/null @@ -1,115 +0,0 @@ -id bits.on -draft_45277_00003 20,56,77,94,107,134,141,153,207,225,231,270,417,424,436,458,480,481,508,511,516,531,621,626,655,700,727,738,739,743,764,776,778,888,896,907,913,917,920,984 -draft_45277_00004 20,77,94,107,141,153,166,207,217,221,231,301,334,390,481,508,626,727,776,779,789,849,861,969,1020 -draft_45277_00005 88,117,134,141,153,195,207,326,365,387,395,405,423,479,481,557,576,625,626,662,787,819,866,867,960,968,989 -draft_45277_00006 20,77,94,107,141,153,207,217,231,235,436,481,508,545,626,688,727,771,776,778,789,877,913 -draft_45277_00007 20,77,94,107,141,153,207,217,225,231,409,424,436,458,481,508,545,626,727,771,776,778,789,913,929 -draft_45277_00011 20,128,138,153,171,207,224,272,280,347,387,434,497,508,511,526,575,627,654,700,727,733,762,827,833,886,919,948,993,1019 -draft_45277_00012 20,94,107,141,153,207,254,481,508,560,626,671,727,776,789,948,994 -draft_45277_00013 57,72,76,89,109,123,147,153,166,173,177,266,284,347,351,442,461,481,491,508,555,588,626,687,692,700,719,743,763,817,818,936,945,954,963,974,1008 -draft_45277_00014 20,52,69,94,107,126,141,153,206,207,217,231,242,310,363,379,409,481,508,540,626,682,727,776,789,915,923,930,969 -draft_45277_00016 57,64,67,76,89,109,120,129,132,134,139,145,153,159,163,168,173,177,197,209,212,245,266,304,309,319,337,347,351,387,401,405,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,692,719,722,743,763,783,792,860,868,874,887,889,936,954,968,974,980,997,1004 -draft_45277_00020 19,56,57,65,76,89,109,134,139,153,155,159,172,173,177,197,212,266,319,347,351,387,401,405,422,436,442,461,481,486,508,524,525,555,558,566,580,588,625,626,629,653,678,690,692,719,728,743,755,763,783,874,887,935,936,954,960,968,974,975,980,990,997 -draft_45277_00021 20,94,107,141,207,228,241,365,481,508,626,727,802,828,948,963 -draft_45277_00023 4,35,50,63,67,85,89,94,127,132,134,137,139,145,153,159,175,197,209,212,304,311,316,319,326,351,352,387,390,401,405,422,442,461,524,576,626,631,675,686,710,719,743,772,783,801,804,814,924,936,948,968,974,982 -draft_45277_00024 5,20,21,22,56,77,88,94,107,117,134,153,195,207,281,338,366,387,395,405,468,479,481,508,516,530,611,626,655,662,668,727,739,757,787,806,829,866,913,950,968,989 -draft_45277_00026 15,153,207,268,300,323,326,390,533,538,562,576,580,626,638,701,775,918,944 -draft_45277_00027 19,20,77,83,94,107,110,134,141,153,207,275,319,340,347,384,405,422,430,472,481,508,524,626,686,727,776,789,823,824,948,965,968,989 -draft_45277_00028 20,94,107,141,153,207,326,455,481,508,576,626,727,776,789,963 -draft_45277_00029 15,20,32,79,89,94,199,233,237,411,438,508,626,662,677,727,772,924 -draft_45277_00031 20,45,92,94,107,141,146,153,207,217,223,231,236,240,255,481,485,508,609,626,727,743,776,789 -draft_45277_00032 19,20,65,88,94,107,117,127,134,141,153,195,207,387,395,405,479,481,508,562,626,662,727,776,787,789,866,968,989,1022 -draft_45277_00033 57,84,138,142,153,207,267,292,311,320,326,347,390,429,430,474,508,513,540,576,600,626,700,718,734,763,779,833,877,911,919,921,926,932,948,954,955,994 -draft_45277_00036 20,94,107,141,153,207,217,231,326,348,481,508,566,626,666,727,776,789,890 -draft_45277_00037 15,153,207,323,326,390,533,538,562,576,626,701,702 -draft_45277_00038 15,153,207,300,323,326,390,538,576,626,638,657,674,701,775,880,918,943,944 -draft_45277_00039 15,153,207,300,323,326,390,452,495,538,576,626,701,775,781,918,1018 -draft_45277_00041 20,94,105,107,141,153,207,217,231,261,327,480,481,508,530,583,626,684,727,752,776,789 -draft_45277_00043 22,57,76,89,109,153,173,177,187,197,212,218,235,266,279,347,351,442,461,508,555,562,588,612,626,647,692,719,743,763,936,954,974,982 -draft_45277_00044 20,94,107,141,207,228,365,390,481,500,508,626,715,727,802,948,952 -draft_45277_00045 20,70,85,89,140,153,263,297,311,326,351,442,457,461,474,492,508,510,516,527,548,626,627,643,717,719,727,743,762,790,900,936,948,960,974 -draft_45277_00046 3,20,70,72,85,89,153,166,263,297,311,326,351,441,442,461,474,492,508,516,527,626,627,643,717,719,727,743,762,790,936,942,948,960,974 -draft_45277_00047 57,76,89,109,134,139,153,159,173,177,197,212,245,266,274,347,351,387,401,405,442,452,460,461,465,481,508,523,524,555,560,588,596,615,626,631,657,681,692,716,719,743,763,765,807,833,874,887,928,936,952,954,968,974,980,997 -draft_45277_00048 8,15,20,26,89,94,153,178,207,216,243,263,323,326,390,393,413,429,457,461,474,492,508,516,570,576,594,626,691,701,727,750,758,760,762,770,819,829,833,837,848,855,936,948,960,981,1000,1008 -draft_45277_00049 20,51,94,107,141,153,174,207,217,231,270,294,341,353,360,481,504,508,516,545,552,626,643,727,771,776,778,789,986 -draft_45277_00051 19,20,94,107,134,141,153,207,213,247,319,326,387,395,405,481,486,508,524,576,626,686,705,727,741,776,789,925,947,948,968,986,989 -draft_45277_00053 7,18,85,89,147,153,200,216,229,260,284,300,311,323,326,347,442,454,461,467,493,554,557,562,582,588,590,617,621,626,628,703,711,719,743,793,835,851,936,956,974 -draft_45277_00054 20,94,107,141,153,207,254,343,437,481,508,524,626,702,727,948,994 -draft_45277_00057 57,76,89,109,134,139,153,159,167,169,173,177,197,212,227,236,245,266,277,285,347,351,361,387,401,434,442,452,461,506,508,524,555,569,588,626,630,657,662,692,719,743,763,766,806,874,936,952,954,968,974,980,997 -draft_45277_00059 20,94,134,160,177,195,252,304,366,387,395,405,445,469,479,508,510,551,611,626,662,727,787,850,968,973 -draft_45277_00060 15,31,35,85,89,127,134,139,153,245,283,311,314,326,346,405,413,430,442,452,460,461,465,481,508,523,524,560,596,615,626,657,716,742,765,814,824,833,887,894,924,928,936,952,964,968,974,980 -draft_45277_00062 20,94,107,141,153,186,207,387,481,508,533,626,727,776,789,1000,1006 -draft_45277_00063 57,67,76,77,89,109,132,134,137,139,145,153,159,168,173,177,197,209,212,245,266,304,315,317,319,347,351,387,401,405,422,436,442,461,479,486,508,524,544,555,582,588,614,626,631,662,692,699,704,719,743,763,783,787,804,836,866,874,936,954,968,974,980,997 -draft_45277_00066 20,56,94,105,107,128,129,141,153,186,207,217,231,257,270,357,365,366,387,480,481,508,516,530,583,626,674,692,706,727,739,757,776,789,812,829,834,871,917,927,947,952,1006 -draft_45277_00072 15,50,57,64,67,70,89,109,120,127,128,129,131,132,134,139,153,163,168,173,245,266,283,309,314,319,337,347,405,413,422,442,461,481,486,506,508,524,555,582,588,615,626,631,662,669,687,692,743,763,783,791,792,814,816,824,853,860,868,887,889,932,936,954,964,968,974,980 -draft_45277_00073 19,20,40,94,107,134,141,153,207,270,281,481,482,508,528,550,558,620,626,640,676,727,733,747,776,789,819,947,968,970,989 -draft_45277_00077 29,34,134,153,167,207,227,279,390,474,487,515,516,527,550,586,626,640,647,658,659,667,676,781,792,802,845,867,904,940,948,968,998,1007 -draft_45277_00078 15,57,89,109,127,128,134,139,153,173,185,220,245,266,283,301,303,314,340,347,379,413,442,461,477,506,508,524,533,555,569,575,582,588,626,638,649,662,671,675,687,692,743,763,806,814,816,824,874,918,932,936,948,954,964,968,974,980 -draft_45277_00079 20,41,94,107,141,153,207,228,254,326,365,481,490,508,626,727,802,835,875,948,994 -draft_45277_00081 20,84,94,107,141,145,153,207,228,242,254,294,365,481,508,598,626,727,802,948,994 -draft_45277_00084 20,39,49,94,107,141,153,171,207,266,481,508,527,545,626,727,776,789,802,948 -draft_45277_00089 15,31,85,89,127,134,139,153,167,169,236,245,277,283,311,314,326,413,430,434,440,442,452,461,506,508,524,569,620,626,657,662,742,764,766,806,814,824,936,952,964,968,974,980 -draft_45277_00090 20,62,94,107,141,153,206,207,217,231,481,508,529,545,626,727,771,776,778,789,826,948,994,1017 -draft_45277_00091 20,56,94,107,153,186,207,387,403,508,516,626,647,655,706,727,739,762,797,863,948,960,1006 -draft_45277_00093 64,67,85,89,120,129,132,134,139,145,153,159,163,168,197,209,212,245,304,309,311,319,326,337,351,387,390,401,405,422,442,461,481,486,506,508,524,582,615,626,631,662,669,710,719,722,743,783,792,860,868,887,889,936,968,974,1004 -draft_45277_00094 67,77,85,89,132,134,137,139,145,153,159,168,197,209,212,245,304,311,315,317,319,326,351,387,390,401,405,422,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,710,719,743,783,787,804,836,866,936,968,974 -draft_45277_00097 15,73,81,89,116,134,183,245,272,298,332,380,381,385,393,405,419,464,487,508,524,543,550,585,618,651,667,683,686,688,706,725,772,898,905,948,968,1022 -draft_45277_00099 15,31,50,67,77,85,89,127,131,132,134,137,139,153,168,245,283,311,314,317,319,326,361,405,413,422,430,436,442,461,479,486,508,524,544,582,614,626,631,662,699,704,742,783,787,791,814,824,836,866,936,964,968,974,980,985 -draft_45277_00101 15,31,50,64,67,70,85,89,120,127,129,131,132,134,139,153,163,168,245,283,309,311,314,319,326,337,405,413,422,430,442,461,481,486,506,508,524,582,615,626,631,662,669,742,783,791,792,814,824,853,860,868,887,889,936,964,968,974,980 -draft_45277_00102 15,19,56,65,89,134,139,146,152,155,168,172,212,251,252,267,269,288,318,319,369,401,405,422,427,436,461,481,486,508,524,525,539,540,547,557,558,566,580,625,626,629,653,678,690,691,711,719,728,741,747,754,755,769,783,816,817,887,936,960,968,974,975,979,990,1009 -draft_45277_00103 19,56,65,85,89,134,139,153,155,159,172,197,212,311,319,326,351,387,390,401,405,422,436,442,461,481,486,524,525,558,566,580,625,626,629,653,678,690,710,719,728,743,755,783,887,935,936,960,968,974,975,990 -draft_45277_00104 85,89,96,103,125,132,134,139,153,159,164,197,212,223,245,307,311,319,326,337,351,368,387,388,390,401,405,422,442,461,506,508,524,582,585,626,631,645,662,696,710,719,727,731,743,783,848,867,936,968,974,981,990,1007 -draft_45277_00105 15,31,50,67,85,89,103,127,131,132,134,137,139,143,149,153,199,283,306,307,309,311,314,316,319,326,330,394,405,409,413,422,430,442,461,524,550,578,586,618,626,631,652,657,742,773,783,791,814,824,865,868,934,936,964,968,974,980,985 -draft_45277_00107 15,31,85,89,127,134,139,153,185,220,245,283,301,303,311,314,326,340,379,413,430,442,461,477,506,508,524,533,569,575,582,626,638,649,662,671,675,742,806,814,824,874,918,936,948,964,968,974,980 -draft_45277_00113 37,53,82,89,96,134,141,145,167,207,224,390,421,429,481,487,550,601,626,647,802,935,948,956,968 -draft_45277_00115 20,37,43,56,69,94,107,153,188,207,231,278,330,337,363,387,508,516,536,581,626,655,727,811,850,881,915,948,992,996,1015 -draft_45277_00116 20,94,118,144,145,153,207,270,313,326,360,390,423,467,480,482,502,508,516,530,535,541,554,626,669,681,688,727,752,763,857,888,917,948,977 -draft_45277_00117 3,20,27,69,134,146,153,191,197,236,249,259,274,341,363,369,400,405,424,428,430,454,469,481,485,488,508,530,570,593,608,614,615,619,651,756,773,780,799,808,812,840,874,883,898,899,915,943,968,983,985,1017 -draft_45277_00119 20,69,101,102,103,114,134,138,144,153,158,207,249,263,270,353,360,363,372,373,384,404,453,461,465,476,497,508,514,516,552,570,581,593,629,657,662,670,685,706,713,746,748,809,837,847,850,881,915,948,968,983,984,989,998,1012 -draft_45277_00121 19,20,58,64,94,96,107,134,141,153,207,214,269,272,372,383,389,407,479,481,487,503,508,550,603,615,626,654,662,714,727,762,776,778,786,789,797,812,893,896,968,989 -draft_45277_00122 15,18,20,79,80,89,94,107,123,134,137,141,153,159,190,207,217,225,231,245,264,270,276,356,360,366,381,392,409,429,480,481,497,508,510,516,530,545,547,553,562,605,623,626,643,651,662,671,683,719,722,726,727,734,771,773,776,778,789,795,827,835,891,946,981,1003,1008 -draft_45277_00124 20,56,62,94,96,107,134,141,145,153,207,230,270,276,301,421,480,481,487,508,511,516,531,550,558,588,626,655,700,727,731,739,743,776,820,888,907,917,920,950,968,989,992 -draft_45277_00130 19,20,58,64,94,107,134,141,153,199,207,214,260,269,289,330,333,347,372,383,421,479,481,505,508,515,522,541,549,550,591,626,654,662,727,762,776,778,789,797,812,833,896,948,968,989,991 -draft_45277_00133 15,20,21,26,39,73,89,94,97,134,141,147,148,161,174,187,193,213,226,227,298,304,347,353,369,371,381,430,476,490,508,515,550,551,570,589,598,599,626,640,675,712,717,719,727,735,737,762,768,800,819,825,850,855,898,936,968,987,1010 -draft_45277_00136 19,56,65,89,134,139,153,155,159,167,172,197,212,244,319,351,387,401,405,422,436,442,461,481,486,524,525,558,566,580,621,625,626,629,653,658,678,690,711,719,728,755,783,785,791,881,887,915,935,936,948,960,968,974,975,990,1015,1017 -draft_45277_00138 20,21,94,134,141,148,177,188,226,268,304,353,369,371,381,430,469,476,508,510,515,550,551,598,626,640,712,727,735,825,850,968 -draft_45277_00140 15,17,39,40,73,89,129,134,182,226,228,231,252,331,337,353,365,367,369,381,415,444,461,465,476,503,511,515,534,540,550,552,564,594,626,640,667,676,719,726,728,750,759,888,936,947,951,968,1019 -draft_45277_00141 15,18,20,79,89,94,134,153,190,245,264,356,381,429,480,497,508,510,530,547,553,562,605,623,626,651,662,671,683,719,726,727,752,773,778,789,795,803,827,835,946,972,976,981,1008 -draft_45277_00142 19,36,37,57,105,119,131,134,153,207,211,219,220,240,245,253,262,266,274,292,324,347,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,563,582,585,588,596,607,615,616,626,647,658,662,668,691,692,701,710,746,757,758,763,775,841,919,934,948,954,968,1006,1018,1024 -draft_45277_00145 20,56,60,62,94,96,133,134,141,145,153,207,230,266,270,300,347,370,421,480,481,487,508,511,516,531,546,549,550,558,588,626,700,727,731,739,743,751,776,820,847,863,888,907,917,920,948,968,989 -draft_45277_00146 15,36,105,119,131,134,153,207,211,219,220,240,245,253,262,323,324,326,367,390,394,399,400,403,405,411,423,467,489,506,508,515,522,524,532,538,576,582,585,596,607,615,616,626,647,658,662,668,691,701,710,746,771,775,841,919,934,948,968,1003,1006,1018,1024 -draft_45277_00147 20,56,62,94,96,107,134,145,153,207,230,270,421,487,508,516,550,558,588,626,647,655,727,731,739,741,762,797,820,948,950,960,968,978,989,992 -draft_45277_00149 8,65,85,89,91,96,134,139,145,153,159,172,179,197,212,311,319,326,351,381,387,390,401,403,405,421,422,442,451,461,481,487,516,524,530,531,550,566,613,626,629,638,648,653,678,694,709,710,719,743,747,783,824,880,887,907,935,936,949,968,971,974,975,990,1003 -draft_45277_00153 64,96,134,141,153,207,272,326,365,372,383,389,407,479,481,487,503,550,576,603,626,653,654,662,714,747,762,778,786,797,812,819,845,867,893,896,939,968,989 -draft_45277_00156 4,15,23,44,58,73,89,93,128,129,134,153,175,177,197,200,220,241,245,247,260,264,279,290,298,300,303,316,320,321,322,334,337,344,347,351,353,423,442,444,446,456,461,463,471,483,486,493,504,508,511,515,532,533,534,540,549,550,555,557,562,618,626,635,640,651,661,683,686,691,700,705,709,719,720,778,785,787,793,796,808,864,927,936,948,962,968,974,994,1015,1023 -draft_45277_00159 20,39,94,96,134,177,272,304,324,383,389,402,427,439,469,479,487,503,508,510,550,551,626,654,662,713,714,727,762,786,797,798,803,824,850,871,896,909,938,968 -draft_45277_00162 1,11,14,15,26,40,44,52,79,89,94,104,134,167,168,175,222,237,260,261,312,316,337,347,373,421,442,473,481,495,496,505,515,524,540,549,550,561,631,666,686,687,712,746,749,772,778,792,801,805,812,816,850,912,948,960,968,1016 -draft_45277_00167 20,94,134,141,177,188,213,260,261,304,347,469,505,508,510,549,550,551,626,666,712,720,727,741,778,812,825,850,948,968,980,1013 -draft_45277_00173 15,20,25,26,36,61,72,85,89,102,129,134,139,141,148,153,205,211,222,233,245,255,305,315,326,350,351,357,358,399,408,413,469,499,508,513,517,523,527,566,603,610,626,640,681,704,727,730,755,766,768,772,774,790,801,819,822,836,852,855,862,898,926,936,948,968,1009,1019,1022 -draft_45277_00176 15,20,44,56,58,81,89,115,134,160,220,245,270,274,302,364,454,473,508,512,540,649,660,666,708,762,871,934,948,968,977 -draft_45277_00178 15,20,25,26,36,61,72,82,85,89,129,134,139,141,148,153,222,245,250,255,291,305,311,315,316,326,343,351,357,358,399,408,446,452,499,508,513,566,595,603,626,681,727,755,768,772,801,836,852,855,862,875,888,898,900,926,944,948,968,969,978,1019,1022 -draft_45277_00179 1,15,20,25,26,36,39,49,72,85,87,89,108,134,141,148,151,217,222,233,236,245,255,285,311,315,342,351,357,399,418,463,469,499,508,513,517,555,566,603,610,626,633,719,727,755,762,766,768,772,802,819,822,836,857,870,897,936,948,968,971,1019,1022 -draft_45277_00180 20,21,94,107,115,123,126,134,136,207,257,260,307,347,349,350,421,505,508,515,549,550,553,555,577,606,626,647,651,708,727,735,778,802,812,820,849,879,948,968 -draft_45277_00181 15,25,26,72,85,89,109,134,141,148,222,245,254,255,291,297,311,315,343,348,351,357,399,400,452,472,477,499,508,513,566,586,595,601,603,703,728,755,768,772,787,801,836,841,875,944,948,963,968,969,1019,1022 -draft_45277_00182 1,15,26,29,55,68,85,89,92,134,180,189,222,240,251,257,267,276,305,315,316,325,341,358,362,398,415,430,467,491,499,515,550,566,574,596,621,626,634,636,640,648,650,676,733,769,772,801,811,830,855,866,879,908,909,913,939,947,948,968,1009,1022 -draft_45277_00183 15,20,25,26,49,60,72,85,87,89,116,118,134,141,148,153,222,245,255,258,280,285,291,297,311,315,326,351,357,371,393,399,452,471,477,499,506,508,513,560,566,581,595,603,626,727,755,768,772,801,821,836,849,866,875,898,944,948,950,968,969,1019,1022 -draft_45277_00185 3,12,14,15,26,72,85,89,92,124,134,135,148,162,211,222,239,245,249,254,283,316,318,321,324,334,357,358,396,399,452,461,499,508,513,532,533,534,558,587,642,661,724,755,769,772,778,787,801,812,875,936,948,963,968,969,987,1015,1019,1022 -draft_45277_00187 15,25,26,44,85,89,109,134,144,214,222,245,254,274,295,297,311,318,348,351,357,400,472,473,477,494,499,508,540,566,583,586,601,626,654,660,690,692,700,703,755,772,774,787,801,816,818,840,841,894,936,948,963,968,990,1022 -draft_45277_00188 15,20,25,26,36,72,82,85,89,129,134,141,148,222,245,250,255,271,272,291,305,311,315,316,351,357,358,372,399,446,452,499,508,513,566,568,595,603,626,727,755,762,768,772,801,814,836,855,862,875,900,944,948,968,969,978,1019,1022 -draft_45277_00189 15,26,49,67,85,89,93,103,109,134,147,222,245,254,274,285,294,297,343,348,399,400,424,448,454,472,477,499,508,540,566,586,601,609,632,679,703,739,765,772,780,787,801,841,851,879,908,948,963,969,1022 -draft_45277_00190 4,5,15,20,26,35,39,45,49,60,64,76,80,85,87,89,92,99,118,120,146,152,153,159,163,170,180,207,222,228,231,236,243,252,270,281,285,290,314,316,326,351,360,366,368,370,391,401,408,420,424,437,479,499,508,516,524,530,552,594,602,609,626,664,690,726,727,753,758,759,772,802,808,818,860,936,948,949,964,970,976,999,1009 -draft_45277_00192 4,5,15,20,26,35,39,49,60,64,76,85,87,89,94,118,120,128,152,153,159,163,170,180,207,222,228,231,252,270,278,281,285,290,316,326,351,366,368,370,391,401,408,420,424,437,439,480,499,501,508,516,524,530,552,584,594,602,609,626,664,690,726,727,753,758,759,772,802,818,860,871,927,936,948,949,964,976,999,1009 -draft_45277_00193 15,20,25,26,72,85,89,92,134,141,148,222,245,255,274,276,284,287,291,311,315,341,351,357,399,418,443,452,458,472,473,499,508,513,566,567,593,595,603,604,623,727,755,762,768,772,801,804,836,841,853,875,915,944,948,963,968,969,1019,1022 -draft_45277_00195 15,26,49,60,85,89,109,134,222,245,252,254,274,285,290,297,310,316,343,348,400,401,424,437,472,477,499,508,566,586,601,609,626,632,681,690,703,713,739,772,787,801,804,818,841,851,879,936,948,964,969,1022 -draft_45277_00196 15,17,25,26,39,82,85,89,121,134,180,222,240,255,258,267,282,301,305,311,315,316,328,341,354,358,362,383,405,430,446,461,499,513,566,574,581,593,595,596,622,626,636,732,755,768,772,801,819,836,855,862,863,866,909,913,921,934,944,948,964,968,969,973,1009,1012,1022 -draft_45277_00197 4,5,15,20,26,45,49,60,76,80,85,87,89,92,99,108,118,146,153,159,163,207,222,228,231,236,243,252,270,281,285,290,314,316,326,340,351,352,360,366,401,402,408,424,437,479,482,499,508,516,524,530,566,609,626,657,690,713,727,753,759,772,777,802,808,818,851,860,879,936,948,964,969,970,976,987,999,1003,1009,1015,1022 -draft_45277_00198 15,20,26,42,60,76,85,87,89,94,134,146,153,156,163,170,182,207,215,222,223,231,245,252,261,285,290,302,316,371,401,424,437,480,499,503,508,530,540,573,594,609,613,626,644,684,690,697,710,727,729,752,759,762,772,801,802,814,818,860,894,909,928,936,944,948,964,973,976,982 -draft_45277_00202 34,62,141,153,207,225,231,283,285,313,326,387,390,394,399,481,556,576,626,662,674,679,701,755,778,781,826,877,948,994 -draft_45277_00203 15,20,26,39,60,71,76,85,87,89,94,120,153,163,170,182,207,215,222,223,231,252,261,285,290,316,370,391,398,401,424,437,480,491,499,503,508,530,580,594,602,609,614,626,664,690,697,710,726,727,752,758,759,772,801,802,818,860,909,915,936,948,964,967,972,976 -draft_45277_00204 3,5,11,15,20,26,28,35,60,80,89,94,109,134,167,184,193,213,214,222,224,245,246,272,285,297,311,365,396,405,419,435,491,499,508,513,531,540,552,556,570,582,626,636,651,656,682,687,691,696,723,725,727,733,743,765,772,812,819,838,876,916,934,936,941,948,964,965,968,969,991,998 -draft_45277_00205 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00206 5,15,26,27,35,56,60,80,89,101,103,116,123,134,139,153,184,193,213,222,224,246,256,260,274,285,297,311,326,351,365,419,430,432,448,458,473,480,481,482,499,502,526,536,552,556,583,585,586,597,611,616,626,651,656,682,696,699,700,715,747,752,758,772,775,780,799,812,916,936,948,968 -draft_45277_00207 15,16,20,25,26,50,62,92,94,109,134,136,141,148,163,171,211,220,222,237,304,353,451,469,484,486,499,502,508,514,526,531,539,551,576,598,603,626,645,652,727,750,762,772,801,803,850,904,948,951,1022 -draft_45277_00208 15,16,20,25,26,36,52,62,92,94,109,134,136,141,148,163,171,211,220,222,237,278,304,345,353,451,484,499,508,514,515,526,531,539,551,576,603,627,645,652,717,762,772,801,803,850,948,951,1022 -draft_45277_00210 13,15,25,26,42,49,60,76,85,87,89,119,134,153,169,207,215,222,223,231,237,245,285,295,312,318,351,356,357,377,415,499,503,508,513,515,540,573,583,594,626,660,663,680,690,755,759,760,772,778,801,802,814,818,841,860,890,904,909,928,936,948,956,964,968,976,992,998 -draft_45277_00211 13,15,25,26,49,60,72,76,85,87,89,134,141,148,153,205,207,215,222,223,231,245,255,285,291,311,312,315,351,356,357,399,452,477,499,503,508,513,515,566,594,595,603,613,755,759,768,772,778,801,802,836,849,860,875,890,904,909,944,948,964,968,969,976,992,1019,1022 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv deleted file mode 100644 index ac7397ccf..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_maccs_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 54,82,86,91,95,100,104,109,111,118,128,129,131,132,138,139,147,151,153,155,157,158,159,161,164 -draft_45277_00002 53,65,77,79,80,82,83,84,90,96,100,104,111,120,121,131,137,142,147,151,153,155,156,158,161,162,165 -draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 -draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 -draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00008 40,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,111,124,130,131,132,138,139,147,148,151,153,155,158,159,161,164 -draft_45277_00009 82,84,90,91,100,104,111,118,123,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00010 53,65,82,84,90,91,95,97,98,100,108,109,113,121,127,129,131,137,138,139,142,143,144,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 -draft_45277_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 -draft_45277_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00015 65,80,92,93,97,98,110,117,121,137,142,151,154,156,158,160,161,162,163,164,165 -draft_45277_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00017 74,85,86,93,95,100,104,115,122,123,132,139,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00018 54,72,82,84,93,95,100,104,113,126,127,131,132,139,143,144,146,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00019 25,43,77,78,84,90,91,100,104,106,111,118,119,123,131,132,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 -draft_45277_00022 82,84,90,91,100,104,111,118,123,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 -draft_45277_00025 54,82,86,93,95,100,104,115,123,131,132,139,151,153,154,155,157,158,159,160,161,164 -draft_45277_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 -draft_45277_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 -draft_45277_00030 75,79,82,83,84,85,90,91,92,95,96,100,110,111,117,118,121,122,123,128,129,131,132,136,137,138,139,142,146,147,148,150,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 -draft_45277_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 -draft_45277_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 -draft_45277_00034 30,49,74,85,86,93,95,100,112,115,122,123,132,141,148,149,153,154,155,157,158,159,160,161,164 -draft_45277_00035 25,43,77,78,84,93,106,119,131,142,151,156,158,160,161 -draft_45277_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00040 54,84,86,88,90,93,95,104,111,115,123,131,139,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00042 54,84,90,91,95,104,111,118,123,131,136,139,140,142,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 -draft_45277_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 -draft_45277_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00050 74,85,86,93,122,141,148,149,158,160,161 -draft_45277_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00052 39,40,48,51,53,55,58,60,61,67,69,73,82,84,88,90,97,100,102,104,106,111,112,124,130,131,132,136,138,139,146,147,148,151,153,155,158,159,161,164 -draft_45277_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 -draft_45277_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00055 13,24,30,49,71,74,85,86,93,94,102,112,122,124,141,148,149,158,160,161,164 -draft_45277_00056 25,43,53,54,66,72,74,77,78,80,84,85,86,89,90,91,93,104,106,112,119,122,123,131,132,136,139,140,142,146,148,149,151,152,154,155,156,157,158,159,160,161,164,166 -draft_45277_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00058 37,43,53,65,77,80,89,92,97,98,106,110,113,117,120,121,127,131,136,137,142,143,151,154,156,159,161,162,163,164,165 -draft_45277_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 -draft_45277_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00061 25,38,43,53,65,77,80,84,92,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 -draft_45277_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 -draft_45277_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00064 38,54,65,77,79,80,83,84,96,98,105,120,121,131,133,135,137,142,151,156,158,161,162,163,165 -draft_45277_00065 54,82,92,95,100,104,110,116,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00067 38,54,65,75,77,78,79,80,83,85,93,96,98,105,119,120,121,122,131,133,135,137,142,148,151,156,158,160,161,162,163,165 -draft_45277_00068 65,95,97,98,121,123,131,136,137,139,140,144,146,150,154,156,157,159,161,162,163,164,165 -draft_45277_00069 65,95,98,121,123,137,139,154,156,157,159,161,162,163,164,165 -draft_45277_00070 54,84,90,91,95,97,104,111,113,123,127,131,132,133,135,136,139,140,142,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00071 82,84,90,91,100,104,111,118,123,128,129,131,132,139,147,151,153,154,155,157,158,159,161,164 -draft_45277_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00074 54,66,74,93,95,112,123,131,139,141,149,151,154,156,157,158,159,160,161,164 -draft_45277_00075 54,72,82,84,91,100,104,111,113,127,131,139,143,144,147,150,151,152,153,155,157,158,159,161,162,163,164,165 -draft_45277_00076 65,97,98,121,123,137,139,154,157,159,161,162,163,164,165 -draft_45277_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00080 53,74,84,97,104,111,116,123,131,132,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00082 29,38,48,57,62,65,69,72,75,77,79,80,82,83,84,85,89,92,95,96,97,98,101,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,146,148,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00083 82,84,100,104,111,113,127,131,139,143,147,151,152,153,155,157,158,161,162,163,164,165 -draft_45277_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00085 38,54,65,77,79,80,83,93,96,98,105,120,121,131,133,135,137,142,151,156,158,160,161,162,163,165 -draft_45277_00086 82,83,90,92,96,100,104,110,111,117,118,121,127,132,137,143,147,151,153,154,156,158,161,164,165 -draft_45277_00087 29,43,48,65,69,89,90,91,95,97,98,102,106,109,112,113,121,124,126,127,130,131,136,137,139,140,143,144,146,148,150,152,153,154,155,156,157,159,160,161,162,163,164,165 -draft_45277_00088 38,65,77,79,80,83,96,98,105,120,121,137,142,151,156,161,162,163,165 -draft_45277_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 -draft_45277_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00092 53,65,92,97,98,110,113,117,121,123,127,131,136,137,139,143,146,151,154,156,157,159,161,162,163,164,165 -draft_45277_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00095 54,82,84,92,95,100,104,110,117,123,131,132,133,135,136,139,142,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00096 65,82,83,84,90,91,96,100,104,105,111,113,121,127,131,137,139,142,143,147,151,152,153,155,156,157,158,161,162,163,164,165 -draft_45277_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 -draft_45277_00098 72,82,84,93,100,104,111,113,126,127,131,139,143,144,147,150,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00100 54,84,90,95,104,111,113,123,127,131,139,143,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 -draft_45277_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00106 82,90,91,92,98,100,104,110,111,117,118,121,127,129,132,137,143,147,151,153,154,156,158,161,163,164,165 -draft_45277_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00108 37,38,53,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00109 29,48,49,67,73,81,88,102,106,109,112,114,124,126,128,130,138,146,148,149,153,155,157,159,160,164 -draft_45277_00110 37,65,75,77,80,85,89,92,93,97,98,106,110,113,117,120,121,122,127,136,137,142,143,144,148,149,150,154,156,158,159,160,161,162,163,164,165 -draft_45277_00111 38,65,74,77,79,80,83,85,86,93,96,98,105,120,121,122,133,135,137,142,148,149,151,156,158,160,161,162,163,165 -draft_45277_00112 89,90,104,108,115,123,129,132,136,139,140,146,147,152,154,155,157,159,160,164 -draft_45277_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 -draft_45277_00114 37,38,43,54,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,131,136,137,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 -draft_45277_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 -draft_45277_00118 89,104,108,109,114,123,126,129,132,136,139,140,146,153,154,155,157,159,160,164 -draft_45277_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 -draft_45277_00120 54,72,74,82,84,90,92,95,97,100,104,109,110,111,113,116,117,126,127,131,132,138,139,142,143,146,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00123 54,74,82,92,95,100,104,110,111,115,117,123,129,131,132,136,139,146,149,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00125 65,82,83,84,90,91,96,100,104,105,111,121,131,137,142,147,151,153,155,156,158,161,162,163,165 -draft_45277_00126 57,98,108,115,116,118,123,127,132,137,143,147,152,154,157,159,160,163,164,165 -draft_45277_00127 90,91,104,118,123,127,129,131,132,139,143,146,147,152,154,157,159,163,164,165 -draft_45277_00128 84,92,110,117,151,154,156,158,161,162,163,164,165 -draft_45277_00129 123,131,136,139,140,144,146,150,154,157,159,162,163,164,165 -draft_45277_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00131 54,82,92,95,100,104,110,117,123,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00132 65,82,83,90,91,92,96,100,104,105,108,110,111,113,116,117,121,127,131,137,139,142,143,147,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00134 65,95,98,105,121,123,125,137,139,145,154,156,157,159,161,162,163,164,165 -draft_45277_00135 37,38,65,75,77,79,80,83,85,89,92,93,95,96,97,98,105,106,110,113,117,120,121,122,127,136,137,141,142,143,144,146,148,149,150,151,154,156,158,159,160,161,162,163,164,165 -draft_45277_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00137 57,83,96,108,114,116,123,127,128,129,132,137,143,147,152,154,155,157,159,160,164,165 -draft_45277_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 -draft_45277_00139 54,82,92,95,100,104,110,111,117,123,129,131,132,136,139,146,151,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 -draft_45277_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00143 65,66,74,85,86,93,95,98,100,108,109,111,112,115,116,121,122,125,126,132,137,138,141,142,145,147,148,149,152,153,155,156,157,158,160,161,162,163,164,165 -draft_45277_00144 25,38,53,62,65,77,79,80,84,98,105,106,120,121,125,131,133,135,137,142,144,145,150,151,156,158,161,162,163,165 -draft_45277_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00148 54,65,72,83,90,91,96,104,105,121,123,131,132,137,139,146,151,152,154,155,156,157,159,161,162,163,164,165 -draft_45277_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00150 65,82,83,90,91,93,96,104,105,109,113,121,126,127,131,132,137,139,143,147,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00151 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00152 65,82,83,90,91,92,93,96,100,104,105,108,110,111,113,116,117,121,126,127,131,137,142,143,147,149,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 -draft_45277_00154 54,57,72,89,98,105,113,120,123,125,127,131,136,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00155 84,109,114,123,126,133,135,151,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 -draft_45277_00157 65,83,90,91,96,104,105,121,123,131,132,137,139,147,151,154,155,156,157,159,161,162,163,164,165 -draft_45277_00158 54,72,74,82,90,95,97,100,104,105,109,113,116,125,126,127,131,132,138,139,143,145,149,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 -draft_45277_00160 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00161 74,85,86,93,95,100,109,111,115,116,122,125,126,132,138,145,147,148,149,152,153,155,157,158,160,161,162,163,164,165 -draft_45277_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 -draft_45277_00163 53,54,65,83,95,96,97,105,113,121,127,131,137,139,143,151,152,156,157,161,162,163,164,165 -draft_45277_00164 90,93,104,113,123,126,127,132,139,143,146,147,152,154,155,157,159,160,162,163,164,165 -draft_45277_00165 57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00166 47,51,59,60,61,64,65,67,73,77,79,81,83,88,90,93,95,96,97,98,102,105,106,111,113,116,120,121,124,125,126,127,132,137,141,142,143,144,145,146,148,149,150,151,152,153,155,156,157,159,160,161,162,163,164,165 -draft_45277_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 -draft_45277_00168 53,54,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00169 41,66,72,74,85,86,93,100,108,111,112,113,115,116,118,122,125,126,127,128,129,138,140,141,142,143,144,145,146,147,148,149,150,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00170 53,89,91,113,125,127,131,132,139,140,143,144,145,146,147,150,152,154,155,157,159,162,163,164,165 -draft_45277_00171 53,57,62,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00172 19,74,75,80,85,86,93,100,105,108,111,115,116,118,121,122,125,128,135,137,138,142,144,145,147,148,149,153,155,156,158,160,161,162,163,165 -draft_45277_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00174 53,57,62,72,89,98,105,113,125,127,131,137,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00175 90,114,123,139,154,155,157,159,160,162,163,164,165 -draft_45277_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 -draft_45277_00177 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 -draft_45277_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 -draft_45277_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00184 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 -draft_45277_00186 82,90,91,104,109,118,123,128,129,131,132,139,146,147,153,154,155,157,159,164 -draft_45277_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00191 90,91,104,118,123,128,129,131,132,136,139,140,146,147,154,155,157,159,164 -draft_45277_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00194 74,115,123,139,141,149,154,155,157,159,160,162,163,164,165 -draft_45277_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 -draft_45277_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00199 53,89,90,91,104,108,114,115,116,118,123,128,129,131,132,139,146,147,152,154,155,157,159,160,164 -draft_45277_00200 50,53,65,76,80,83,90,96,97,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,152,154,155,156,157,159,160,161,162,164,165 -draft_45277_00201 50,53,65,76,80,83,90,91,96,99,104,105,108,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 -draft_45277_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 -draft_45277_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 -draft_45277_00209 50,53,65,76,80,83,90,91,96,99,104,105,108,114,116,118,120,121,123,131,132,136,137,139,140,141,142,144,146,147,149,150,151,154,155,156,157,159,160,161,162,164,165 -draft_45277_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv deleted file mode 100644 index 0005eef26..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_maccs_isomeric_success.tsv +++ /dev/null @@ -1,115 +0,0 @@ -id bits.on -draft_45277_00003 53,54,79,82,84,90,91,92,95,97,100,104,110,111,117,118,123,129,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00004 54,82,84,90,91,95,100,104,111,123,129,131,132,139,142,146,147,151,152,153,154,155,156,157,158,159,161,164 -draft_45277_00005 53,54,65,77,79,80,82,83,84,90,91,95,96,104,109,111,120,121,131,137,139,142,151,153,155,156,157,158,161,162,164,165 -draft_45277_00006 54,82,84,90,91,95,100,104,111,118,123,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00007 54,82,84,90,91,95,100,104,111,118,123,129,131,139,142,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00011 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 -draft_45277_00012 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00013 29,43,48,53,54,57,69,72,84,89,90,91,95,97,98,102,106,109,112,123,124,126,127,130,131,132,133,137,139,140,143,146,148,150,151,152,153,155,156,157,158,159,161,163,164,165 -draft_45277_00014 54,84,86,88,90,91,95,104,111,123,129,131,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00016 25,29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00020 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,126,127,130,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00021 54,74,84,95,123,131,139,149,151,154,156,157,158,159,160,161,164 -draft_45277_00023 38,53,54,57,62,65,72,75,77,78,79,80,82,83,85,89,90,91,92,93,95,96,97,98,105,109,110,117,119,120,121,122,127,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00024 53,54,65,77,79,80,82,83,84,90,92,95,96,97,100,104,110,111,117,120,121,123,128,131,132,136,137,139,142,146,147,151,153,154,155,156,157,158,159,161,162,164,165 -draft_45277_00026 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00027 54,65,75,77,79,80,83,84,85,90,93,95,96,104,108,111,120,121,122,123,131,137,139,142,148,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00028 53,54,82,84,89,90,95,104,109,111,123,131,139,146,151,153,154,155,156,157,158,159,161,164 -draft_45277_00029 54,82,83,90,91,95,96,100,104,111,118,121,123,131,137,139,147,151,153,154,156,157,158,159,161,164,165 -draft_45277_00031 39,40,48,51,54,55,58,60,61,67,69,73,84,88,90,91,95,102,104,106,111,112,123,124,130,131,132,136,139,140,146,147,148,151,153,154,155,156,157,158,159,161,164 -draft_45277_00032 53,54,65,77,79,80,83,84,90,95,96,104,111,120,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,164,165 -draft_45277_00033 29,30,48,49,54,72,74,82,85,86,89,90,93,95,100,102,104,106,109,111,112,115,116,122,124,126,128,130,131,132,138,139,140,141,146,147,148,149,152,153,155,157,158,159,160,161,164 -draft_45277_00036 53,54,82,84,90,91,95,97,104,109,111,123,131,132,139,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00037 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00038 53,54,72,82,89,90,91,104,109,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00039 53,54,72,82,89,90,91,104,109,128,131,132,138,139,140,146,152,153,155,157,159,164 -draft_45277_00041 54,84,90,91,95,104,111,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,161,164 -draft_45277_00043 29,43,48,53,54,57,69,72,89,90,91,98,102,106,109,112,123,124,126,127,130,131,132,137,139,140,143,146,148,150,152,153,155,157,159,163,164,165 -draft_45277_00044 53,54,84,89,95,123,131,139,146,151,152,154,156,157,158,159,160,161,164 -draft_45277_00045 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00046 53,54,57,72,82,89,90,91,92,95,97,98,109,110,117,123,127,131,132,133,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00047 29,37,38,43,48,54,57,62,65,69,72,75,77,80,83,84,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,135,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00048 53,54,57,72,82,89,90,92,95,97,98,104,109,110,112,117,123,127,131,132,133,136,137,139,140,143,146,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00049 37,43,54,77,82,84,90,91,95,100,104,106,110,111,117,118,123,131,136,139,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00051 54,65,75,77,79,80,83,84,85,90,93,95,96,104,111,116,120,121,122,123,131,137,139,142,144,148,150,151,154,155,156,157,158,159,160,161,162,164,165 -draft_45277_00053 53,54,57,72,82,89,90,91,98,109,120,123,126,127,131,132,137,138,139,140,143,145,146,150,152,153,155,157,159,163,164,165 -draft_45277_00054 54,84,90,95,104,111,114,123,131,139,151,154,155,156,157,158,159,160,161,164 -draft_45277_00057 29,37,43,48,54,57,62,65,69,72,75,77,80,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00059 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 -draft_45277_00060 37,38,53,57,62,65,72,75,77,80,82,83,84,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00062 53,54,82,84,88,90,95,104,111,123,131,139,151,153,154,155,156,157,158,159,161,164 -draft_45277_00063 29,38,43,48,54,57,62,65,69,72,75,77,79,80,83,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,113,117,120,121,122,124,126,127,130,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00066 53,54,79,82,84,88,90,91,92,95,100,104,110,111,117,123,128,131,132,136,138,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 -draft_45277_00072 25,29,38,43,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,92,95,96,97,98,102,104,105,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,135,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00073 54,84,90,95,104,111,113,123,127,131,139,143,146,151,152,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00077 54,82,86,93,95,100,104,113,115,127,131,132,139,143,151,152,153,155,157,158,159,160,161,162,163,164,165 -draft_45277_00078 29,37,43,48,57,62,65,69,72,75,77,80,83,85,89,90,91,92,96,97,98,102,104,106,109,110,111,112,113,117,120,121,122,124,126,127,128,129,130,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00079 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00081 54,84,90,91,95,114,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00084 54,74,84,90,95,104,111,115,123,131,139,149,151,154,155,156,157,158,159,160,161,164 -draft_45277_00089 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00090 54,84,90,91,95,104,111,114,115,116,118,123,131,139,147,151,154,155,156,157,158,159,160,161,164 -draft_45277_00091 53,54,82,88,90,92,95,104,108,110,111,117,123,131,136,139,146,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00093 25,38,43,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00094 38,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,109,110,113,117,120,121,122,127,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00097 62,65,75,80,83,85,92,93,96,98,108,110,111,116,117,120,121,122,127,132,137,142,143,147,148,150,154,156,158,160,161,162,163,164,165 -draft_45277_00099 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,104,105,109,110,111,113,117,120,121,122,127,128,129,131,132,133,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00101 25,38,43,53,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,104,105,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00102 29,38,48,57,62,65,69,72,75,77,79,80,83,84,85,89,90,91,92,95,96,97,98,102,105,106,109,110,112,117,120,121,122,124,127,130,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,156,157,158,159,161,162,163,164,165 -draft_45277_00103 38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,109,110,117,120,121,122,127,131,132,133,135,137,139,140,142,143,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00104 37,38,43,53,54,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,95,96,97,98,105,106,109,110,113,117,120,121,122,127,131,132,133,136,137,139,140,142,143,146,148,150,151,152,153,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00105 38,53,57,62,65,72,75,77,79,80,82,83,85,89,90,91,92,96,97,98,104,105,109,110,111,117,120,121,122,127,128,129,131,132,133,137,139,142,143,146,148,150,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00107 37,53,57,62,65,72,75,77,80,82,83,85,89,90,91,92,96,97,98,104,106,109,110,111,113,117,120,121,122,127,128,129,131,132,133,136,137,139,140,142,143,144,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00113 54,84,95,131,139,151,152,156,157,158,160,161,162,163,164,165 -draft_45277_00115 54,86,88,90,91,93,95,104,110,111,115,116,117,123,131,136,139,146,147,151,153,154,155,156,157,158,159,160,161,164 -draft_45277_00116 53,54,66,72,74,82,89,90,91,92,95,97,100,104,109,110,111,112,115,117,123,131,132,136,138,139,140,146,147,149,151,152,153,154,155,156,157,158,159,160,161,164 -draft_45277_00117 25,33,36,38,43,47,53,55,58,60,61,65,67,69,73,77,78,80,81,83,84,86,88,90,91,94,96,97,102,104,106,111,112,117,119,120,121,124,129,130,131,133,135,136,137,138,142,147,148,151,153,155,156,158,159,161,162,164,165 -draft_45277_00119 21,24,38,43,45,49,56,57,63,70,71,74,76,77,79,82,83,85,86,88,90,91,93,94,95,96,97,99,100,102,104,108,111,115,119,122,124,128,129,130,131,132,137,138,141,142,146,147,148,149,151,152,153,155,156,158,159,160,161,162,164,165 -draft_45277_00121 54,65,83,84,90,91,95,96,104,105,111,121,123,131,137,139,142,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00122 36,37,43,54,77,79,81,82,83,84,88,90,91,92,95,96,100,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,138,139,140,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00124 53,54,79,84,90,92,95,97,104,110,111,117,123,131,132,136,139,140,142,146,151,154,155,156,157,158,159,161,162,163,164,165 -draft_45277_00130 54,65,83,84,90,91,93,95,96,104,105,111,113,121,123,126,127,131,137,139,142,143,146,151,152,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00133 53,54,66,72,89,90,91,99,104,112,113,123,126,127,131,132,136,139,140,143,144,145,146,150,152,154,157,159,162,163,164,165 -draft_45277_00136 38,54,57,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,105,110,115,117,120,121,122,127,131,132,133,135,137,139,142,143,146,148,150,151,152,153,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00138 54,72,99,113,123,127,131,139,140,143,144,146,150,152,154,157,159,162,163,164,165 -draft_45277_00140 53,54,57,62,72,89,90,98,104,105,113,125,127,131,132,137,139,140,143,144,145,146,150,152,157,159,162,163,164,165 -draft_45277_00141 36,37,43,54,77,79,81,83,88,90,91,96,101,104,105,106,110,111,117,118,120,121,123,127,128,129,131,132,136,137,139,142,143,146,147,151,153,154,155,156,157,158,159,161,164,165 -draft_45277_00142 29,37,38,43,48,53,54,65,69,72,75,77,79,80,85,89,90,91,92,95,97,98,100,102,104,105,106,109,110,112,113,117,120,121,122,124,126,127,128,130,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00145 53,54,79,84,90,92,93,95,97,104,108,110,111,117,123,126,131,132,136,139,140,142,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00146 37,38,53,54,65,72,75,77,79,80,82,85,89,90,91,92,95,97,98,100,104,105,106,109,110,113,117,120,121,122,127,128,131,132,136,137,138,139,140,142,143,144,145,146,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00147 54,90,92,95,104,108,110,111,117,123,131,136,139,146,151,154,155,156,157,158,159,160,161,162,163,164,165 -draft_45277_00149 25,38,53,54,57,62,65,72,75,77,79,80,82,83,84,85,89,90,91,92,95,96,97,98,105,106,109,110,117,120,121,122,125,127,131,132,133,135,137,139,140,142,143,145,146,148,150,151,152,153,155,156,157,158,159,161,162,163,164,165 -draft_45277_00153 54,65,82,83,84,90,91,95,96,104,105,109,111,121,131,137,139,142,151,153,155,156,157,158,161,162,163,164,165 -draft_45277_00156 53,54,57,62,72,89,90,91,93,98,105,109,113,120,123,125,126,127,131,132,137,139,140,143,144,145,146,149,150,152,153,154,155,157,159,160,162,163,164,165 -draft_45277_00159 65,83,96,99,105,121,123,131,137,139,151,154,156,157,159,161,162,163,164,165 -draft_45277_00162 66,75,85,86,93,98,100,101,105,108,111,112,113,115,116,118,121,122,126,127,128,129,137,143,144,145,147,148,149,152,153,156,157,158,160,161,162,163,164,165 -draft_45277_00167 93,99,113,123,126,127,139,143,146,152,154,157,159,160,162,163,164,165 -draft_45277_00173 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00176 34,50,76,99,116,127,132,143,149,150,152,154,160,163,164,165 -draft_45277_00178 26,50,53,66,72,76,82,89,90,91,96,99,104,105,108,109,112,115,116,118,127,128,129,131,132,136,139,140,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00179 26,50,66,76,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00180 93,105,113,123,125,126,127,139,143,145,146,149,152,154,157,159,160,162,163,164,165 -draft_45277_00181 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00182 17,66,90,91,96,104,105,108,112,113,115,116,118,127,128,129,131,132,139,143,144,145,147,150,152,157,159,160,162,163,164,165 -draft_45277_00183 26,50,66,72,76,82,91,96,99,105,108,109,112,115,116,118,127,128,129,132,136,139,143,145,146,147,149,150,152,153,154,155,157,159,160,163,164,165 -draft_45277_00185 26,50,57,66,76,83,96,99,105,108,112,115,116,118,123,127,128,129,132,136,137,143,145,146,147,149,152,154,157,159,160,163,164,165 -draft_45277_00187 26,50,66,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00188 26,50,66,72,76,90,91,96,99,104,105,108,112,115,116,118,127,128,129,132,136,139,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00189 66,96,105,108,112,115,116,118,127,128,129,132,136,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00190 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00192 54,66,82,90,91,92,95,96,100,104,105,108,110,111,112,115,116,117,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00193 26,50,66,76,96,99,105,108,112,115,116,118,127,128,129,132,136,141,143,145,147,149,150,152,154,159,160,163,164,165 -draft_45277_00195 66,90,91,96,104,105,108,112,115,116,118,127,128,129,132,139,143,145,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00196 17,26,50,57,65,66,71,76,83,90,91,94,96,97,99,102,104,105,108,112,115,116,118,120,121,124,127,128,129,132,137,139,143,144,145,147,149,150,152,157,159,160,161,162,163,164,165 -draft_45277_00197 39,40,48,51,53,55,58,60,61,66,67,69,73,82,88,90,91,92,96,97,100,102,104,105,106,108,110,111,112,115,116,117,118,124,127,128,129,130,131,132,136,138,139,140,141,143,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,163,164,165 -draft_45277_00198 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00202 53,54,82,84,89,90,91,95,104,108,109,111,114,115,116,118,128,129,131,132,139,147,151,152,153,155,156,157,158,159,160,161,164 -draft_45277_00203 66,90,91,96,104,105,108,112,115,116,118,123,127,128,129,131,132,139,140,141,143,145,146,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00204 26,50,66,74,76,90,91,99,104,105,108,112,115,116,118,123,127,128,129,131,132,136,139,140,141,143,145,146,147,149,150,152,154,157,159,160,163,164,165 -draft_45277_00205 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00206 26,50,66,74,76,82,90,91,99,104,105,108,109,112,115,116,118,127,128,129,131,132,139,141,143,145,147,149,150,152,153,155,157,159,160,163,164,165 -draft_45277_00207 50,66,74,76,99,108,112,115,116,118,123,139,141,147,149,150,154,157,159,160,163,164,165 -draft_45277_00208 50,66,74,76,99,108,112,115,116,118,141,147,149,150,154,160,163,164,165 -draft_45277_00210 26,50,66,74,76,90,96,99,104,105,108,112,115,116,118,127,128,129,132,139,141,143,145,147,149,150,152,154,155,157,159,160,163,164,165 -draft_45277_00211 26,50,66,74,76,96,99,105,108,112,115,116,118,127,128,129,132,141,143,145,147,149,150,152,154,155,160,163,164,165 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv deleted file mode 100644 index 8bc22f761..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id bits.on -draft_45277_00001 10,11,15,19,20,284,285,286,287,300,309,345,346,347,352,353,366,367,391,393,394,407,529,541,567,572,644,657,660 -draft_45277_00002 10,11,15,16,144,146,147,256,257,284,285,286,300,333,341,345,346,352,356,358,359,366,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,570,571,573,586,593,594,597,600,608,612,614,637,644,655,658,666,675 -draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 -draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 -draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 -draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00008 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,466,529,644 -draft_45277_00009 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,593,618,638,644,683,686 -draft_45277_00010 10,11,12,15,16,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,394,397,404,407,417,419,431,432,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,507,521,522,524,525,529,531,539,540,541,542,544,546,549,550,553,556,557,565,567,571,572,574,575,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,652,656,657,658,660,661,665,666,668,669,678,679,680,681,682,683,684,690,692,703,704,709,710,711,713 -draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 -draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 -draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 -draft_45277_00015 10,11,15,16,19,179,181,182,256,257,284,285,286,287,300,333,334,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,393,394,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,529,531,536,539,540,541,546,547,550,553,554,556,557,565,571,577,578,579,580,581,583,585,586,593,594,596,598,600,601,604,608,609,614,619,624,625,629,634,635,641,647,657,658,661,665,666,669,672,673,674,678,679,684,685,696,709,710 -draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00017 10,11,15,19,20,284,285,286,287,309,345,346,352,353,366,375,381,391,392,407,421,441,444,453,537,541,567,603,660 -draft_45277_00018 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,682,684,689,690,691,692,697,699,700,702,709,710,711,715,736,762,778,799,825 -draft_45277_00019 10,11,15,16,19,20,284,285,286,287,300,309,333,345,346,352,353,366,376,381,391,394,407,419,421,441,444,451,453,454,488,536,580,593,618,638,683,686 -draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 -draft_45277_00022 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 -draft_45277_00025 10,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,441,444,453,529,537,541,567,603,660 -draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 -draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 -draft_45277_00030 10,11,15,16,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,392,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,646,647,657,660,681,684,685,692,696,703 -draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 -draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 -draft_45277_00034 10,11,15,19,20,284,285,286,287,345,346,352,353,366,375,381,391,392,421,441,444,453,537,541,567,603,660 -draft_45277_00035 10,15,16,284,286,300,366,375,376,391,394,419,451,454,488 -draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 -draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 -draft_45277_00040 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,394,407,413,421,441,444,453,508,529,536,537,567,587,618,644 -draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 -draft_45277_00042 10,11,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,689,690,693,699,705 -draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 -draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 -draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 -draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 -draft_45277_00050 10,15,284,286,366,375,391,392,541 -draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00052 10,15,19,20,34,284,285,286,294,300,309,345,346,350,352,354,366,369,394,409,415,458,459,460,466,529,644 -draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 -draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00055 10,15,19,284,286,302,366,375,391,392,396,541 -draft_45277_00056 10,11,12,15,16,17,19,20,21,284,285,286,287,300,309,333,334,338,342,345,353,366,375,376,381,391,392,394,407,419,421,441,444,451,453,454,463,488,489,520,536,538,541,561,568,580,582,583,618,638,640,643,664,681,682,685,687,688,691,694,695,709,711 -draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 -draft_45277_00058 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,300,333,345,346,352,353,356,359,366,371,372,373,374,376,377,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,529,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,644,646,647,648,651,655,658,673,674,675 -draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 -draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00061 10,11,15,16,17,19,179,181,182,256,257,284,285,286,287,300,333,345,352,353,356,359,371,372,376,377,379,380,382,385,388,390,391,393,394,397,400,401,404,417,419,421,435,439,440,442,443,444,447,450,451,452,454,465,473,483,485,488,489,494,496,503,505,507,520,524,528,531,536,539,540,546,547,550,554,556,561,573,581,586,594,597,602,614,622,625,629,637,644,648,655,658,674,675 -draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 -draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00064 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00065 10,11,15,19,20,284,285,286,287,300,309,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,537,541,567,603,644,646,647,657,660 -draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 -draft_45277_00067 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00068 10,11,15,19,20,21,179,181,182,256,257,284,285,286,287,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,660,661,665,666,668,669,672,673,674,678,679,680,681,682,684,685,687,688,690,692,693,696,703,709,710,711 -draft_45277_00069 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,341,345,346,352,353,356,358,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,453,454,462,465,471,473,483,491,492,494,495,496,503,507,517,521,522,524,525,531,536,537,539,540,541,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,690,693 -draft_45277_00070 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,377,378,381,382,383,385,394,407,417,421,431,433,435,438,441,442,444,447,450,453,465,471,491,494,499,517,521,525,529,536,537,542,543,544,546,549,550,553,554,557,565,567,571,574,575,579,580,581,583,585,588,591,593,596,598,600,601,604,607,608,609,618,619,620,624,625,634,635,638,641,642,644,652,656,661,665,666,668,669,672,673,674,678,679,680,681,684,685,687,688,689,690,693,697,699,700,705,709,710,711,736,759,764,799,822,827 -draft_45277_00071 10,11,15,19,20,284,285,286,287,300,309,333,345,346,352,353,366,381,394,407,421,441,444,453,529,536,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 -draft_45277_00074 10,11,15,19,20,284,285,286,287,300,309,333,334,337,341,345,352,353,366,375,381,391,393,394,407,421,441,444,453,529,536,537,541,567,603,618,644,660 -draft_45277_00075 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,545,549,553,557,565,568,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,632,635,638,641,642,644,652,656,661,664,665,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00076 10,11,15,19,20,179,181,182,256,257,284,285,286,287,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,385,388,391,397,404,407,417,419,421,431,435,436,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,696,703,709,710 -draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 -draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00080 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,580,581,583,618,638,639,644,681,685,709,710 -draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00082 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,158,161,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00083 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,371,372,382,383,385,394,407,417,431,435,442,447,471,491,499,517,521,525,529,542,543,549,553,557,565,571,574,575,579,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,689,690,697,709,710,711,715,778 -draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 -draft_45277_00085 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00086 10,11,15,19,144,146,147,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,593,614,644,646,647,657,686 -draft_45277_00087 10,11,12,15,19,20,21,31,179,181,182,256,257,284,285,286,287,309,315,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,373,374,375,377,382,383,385,388,391,397,404,407,408,412,417,419,421,426,431,432,436,437,438,442,443,444,446,447,448,449,450,454,457,462,465,471,473,483,491,492,494,496,498,499,507,521,522,524,525,531,536,539,540,541,542,544,546,549,550,553,554,556,557,565,567,571,574,575,578,579,580,582,583,585,586,588,591,593,596,598,600,601,604,607,608,609,614,618,619,620,624,626,629,634,635,638,639,641,642,643,652,656,657,658,660,661,665,666,668,669,672,678,679,680,681,682,683,684,685,686,687,690,692,703,704,709,710,711,713 -draft_45277_00088 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,345,346,352,356,358,359,360,366,371,373,374,376,377,378,379,380,385,387,388,389,390,391,393,394,397,400,401,404,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,489,492,496,500,503,505,507,520,522,524,528,529,531,539,540,541,546,547,548,550,556,561,570,573,577,586,594,597,602,612,614,622,629,637,644,655,658,675 -draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 -draft_45277_00092 10,11,15,19,20,179,181,182,256,257,284,285,286,287,300,309,333,334,345,346,352,353,356,357,359,366,371,372,373,374,377,381,382,385,388,391,393,394,397,400,401,404,407,417,419,421,431,435,436,440,441,442,443,444,446,447,448,450,452,453,454,465,471,473,483,491,492,494,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,549,550,553,554,556,557,565,571,574,575,577,578,579,580,581,583,585,586,593,596,598,600,601,604,608,609,614,618,619,620,624,625,629,634,635,638,639,641,642,644,646,647,656,657,658,661,665,666,668,669,672,673,674,678,679,681,684,685,692,694,695,696,703,709,710 -draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00095 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,366,371,372,377,378,381,385,391,393,394,407,417,421,431,435,438,440,441,442,444,447,450,452,453,465,471,491,494,503,517,521,525,529,536,537,541,546,547,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,601,603,604,608,609,614,619,624,629,634,635,641,644,646,647,657,660,661,665,666,669,672,673,678,679,680,684,685,689,693,696,705,708,709,710,711,717,780 -draft_45277_00096 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 -draft_45277_00098 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,542,543,545,549,553,557,565,566,568,571,574,575,579,583,585,590,591,593,595,596,600,604,605,607,608,609,618,619,620,627,631,632,635,638,641,642,644,652,656,661,663,664,665,667,668,669,678,679,680,681,684,689,690,692,697,699,700,709,710,711,715,736,762,778,799,825 -draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00100 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,683,684,685,689,690,691,693,694,697,699,702,705,706,709,710,711,757,820 -draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00106 10,11,15,19,179,181,182,284,285,286,287,300,333,345,346,352,353,366,391,393,394,421,440,444,452,529,536,541,580,583,593,614,644,646,647,657,684,685,696 -draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00108 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00109 10,11,19,20,31,34,284,285,287,315,345,347,353,367,375,408,412 -draft_45277_00110 10,11,15,16,19,20,179,181,182,256,257,284,285,286,287,333,345,346,352,353,356,359,366,371,372,373,374,375,376,377,380,382,385,388,390,391,392,397,398,404,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,492,494,496,503,505,507,517,520,522,524,531,536,539,540,541,546,547,550,554,556,561,573,577,581,586,594,597,602,614,622,625,629,637,646,647,648,651,655,658,673,674,675 -draft_45277_00111 10,11,15,16,17,144,146,147,179,181,182,256,257,258,259,284,285,286,300,333,341,352,356,358,359,360,366,374,375,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,400,401,404,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,528,529,531,539,541,546,548,550,556,561,570,573,586,594,597,602,612,614,622,629,637,655,658,675 -draft_45277_00112 10,11,19,20,21,284,285,287,309,333,342,345,353,375,381,407,421,433,441,444,453,536,580,583,589,618,638,680,681,685,687,688,689,690,693,699,705 -draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 -draft_45277_00114 10,11,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 -draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 -draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 -draft_45277_00118 10,11,19,20,21,284,285,287,309,333,345,347,353,367,375,381,406,407,421,441,444,453,536,582,589,615,618,640,643 -draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 -draft_45277_00120 10,11,12,15,16,19,20,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,406,407,417,421,431,435,440,442,444,447,452,471,477,491,499,517,521,525,529,536,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,580,583,585,590,593,595,596,598,600,604,605,607,608,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,684,685,689,690,693,697,705,709,710,711,715,778 -draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 -draft_45277_00123 10,11,15,19,20,284,285,286,287,300,309,333,334,336,345,346,352,353,366,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,580,593,603,614,644,646,647,657,660,709 -draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00125 10,11,12,15,16,144,146,147,179,180,256,257,258,284,285,286,300,333,334,341,345,346,352,356,357,358,359,366,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,571,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,629,634,635,641,644,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00126 10,11,19,20,179,182,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,690,693,694,706 -draft_45277_00127 10,11,19,20,179,180,284,285,287,309,333,334,336,340,342,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,694,699,702,705,706,709,710,711,778 -draft_45277_00128 10,11,15,19,179,180,256,284,285,286,287,300,333,334,345,352,353,356,357,371,372,385,394,417,421,431,435,440,442,444,447,452,465,471,491,494,517,521,525,536,550,553,554,557,565,571,579,580,583,585,593,596,598,600,604,608,609,619,624,634,635,641,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00129 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,345,353,356,357,371,372,381,385,407,417,421,431,435,441,442,444,447,453,471,491,494,517,521,525,536,549,553,554,557,565,571,574,575,579,580,583,585,596,598,600,604,609,618,619,620,624,635,638,641,642,656,661,665,668,669,672,673,678,679,680,681,682,685,687,688,689,690,693,697,699,705,709,710,711,713,756,819 -draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 -draft_45277_00131 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,465,471,491,494,517,521,525,529,536,537,541,550,553,554,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,624,629,634,635,641,646,647,657,660,661,665,669,672,673,678,679,680,684,685,689,693,705,709,710,711 -draft_45277_00132 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,571,574,575,577,578,579,583,585,586,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,668,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 -draft_45277_00134 10,11,12,15,19,20,179,180,181,182,186,256,257,258,284,285,286,287,309,333,334,341,345,352,353,356,357,358,359,371,372,377,378,381,385,386,387,388,391,397,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,462,465,471,473,483,491,494,495,496,503,507,517,521,524,525,531,536,537,539,540,546,547,549,550,553,554,556,557,565,567,571,574,575,577,578,579,580,583,585,586,593,596,598,600,601,603,604,608,609,614,618,619,620,624,629,634,635,638,641,642,656,657,658,660,661,665,666,668,669,672,673,678,679,680,681,684,685,689,690,693,697,699,700,705,709,710,711,759,822 -draft_45277_00135 10,11,12,15,16,17,19,20,144,146,147,179,181,182,256,257,258,259,284,285,286,287,300,333,341,352,353,356,358,359,360,366,375,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,417,419,421,432,438,439,440,442,443,444,450,451,452,454,465,473,483,485,486,488,489,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,570,573,581,586,594,597,602,603,612,614,622,625,629,637,646,647,648,651,655,658,674,675 -draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 -draft_45277_00137 10,11,19,20,144,147,284,285,287,333,340,342,345,347,353,367,375,381,406,421,441,444,453,536,580,583,615,638,680,681,685,687,690,693 -draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 -draft_45277_00139 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,598,600,603,604,608,609,614,619,635,641,644,646,647,657,660,661,665,669,678,679,680,684,685,689,693,697,705,709,710,711 -draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 -draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00143 10,11,12,13,15,16,19,179,180,181,182,186,256,257,258,284,285,286,287,333,334,338,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,385,388,391,392,397,404,406,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,539,540,541,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,593,595,596,600,601,604,605,608,609,614,615,616,619,620,629,634,635,638,641,642,656,657,658,660,661,665,666,667,669,678,679,680,681,684,689,690,697,698,699,709,710,711,713 -draft_45277_00144 10,11,12,15,16,17,179,180,181,182,186,188,189,193,256,257,258,259,260,284,285,286,300,333,334,341,345,352,356,357,358,359,360,371,372,376,377,378,379,380,385,387,388,389,390,391,394,397,404,417,419,431,432,435,438,439,442,443,447,450,451,454,465,471,473,483,485,486,488,491,496,500,505,507,517,520,521,524,525,531,539,546,548,550,553,556,557,561,565,570,571,573,577,578,579,583,585,586,593,594,596,597,600,602,604,608,609,612,614,619,622,629,634,635,637,641,655,657,658,661,665,666,669,675,678,679,680,684,689,697,709,710,711 -draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 -draft_45277_00148 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,463,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,538,539,540,541,546,547,550,553,556,557,565,568,571,572,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,642,644,656,657,658,661,664,665,666,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,704,705,709,710,711,713,759,822 -draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 -draft_45277_00150 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,572,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,704,709,710,711,713,722,736,759,785,799,822 -draft_45277_00151 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00152 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,333,334,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,406,417,419,421,431,432,435,436,438,440,442,443,444,446,447,448,450,452,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,546,547,549,550,553,556,557,565,566,571,574,575,577,578,579,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,619,620,627,629,634,635,638,641,642,644,646,647,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,689,690,692,697,698,699,700,703,709,710,711,713,722,736,759,785,799,822 -draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 -draft_45277_00154 10,11,12,19,20,21,22,179,180,182,186,187,189,193,200,256,257,258,259,260,262,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,386,406,407,410,417,421,431,433,435,441,442,444,447,453,463,471,477,491,494,499,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,590,591,595,596,598,604,605,607,609,615,618,619,620,621,623,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,688,689,690,691,693,694,695,697,698,699,700,701,702,705,706,707,709,710,711,713,715,736,741,756,757,762,778,799,804,819,820,825 -draft_45277_00155 10,11,12,15,19,20,179,180,256,284,285,286,287,300,333,334,341,345,347,352,353,356,357,367,371,372,375,377,378,381,385,394,406,417,421,431,435,438,441,442,444,447,450,453,465,471,491,494,503,517,521,525,536,546,547,549,550,553,554,557,565,571,574,575,579,580,583,585,593,595,596,598,600,601,604,605,608,609,615,619,620,624,634,635,638,641,642,644,656,661,665,666,667,669,672,673,678,679,680,681,684,685,689,690,692,693,696,699,704,705,708,709,710,711,717,780 -draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00157 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00158 10,11,12,13,15,19,20,179,180,186,187,256,258,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,386,391,393,394,406,407,417,431,435,442,447,471,477,491,499,517,521,525,529,541,542,543,549,553,557,565,566,567,568,571,572,574,575,579,583,585,590,595,596,600,604,605,607,609,614,615,619,620,621,627,633,635,638,639,641,642,644,652,656,657,660,661,663,664,665,667,669,678,679,680,681,689,690,697,699,700,709,710,711,713,736,756,757,799,819,820 -draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00160 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00161 10,11,12,13,15,19,179,180,186,187,256,258,284,285,286,287,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,385,391,392,406,417,431,435,442,447,471,491,517,521,525,541,549,553,557,565,567,571,574,575,579,583,585,595,596,600,604,605,609,615,616,619,620,635,638,641,642,656,660,661,665,667,669,678,679,680,681,689,690,697,698,699,709,710,711 -draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 -draft_45277_00163 10,11,12,15,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,342,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,382,383,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,462,465,471,473,483,491,492,496,498,499,503,507,517,521,522,524,525,528,529,531,539,540,541,542,543,544,546,547,549,550,553,556,557,565,567,571,574,575,577,578,579,583,585,586,588,591,593,596,600,601,604,607,608,609,614,618,619,620,629,634,635,638,639,641,642,644,652,653,656,657,658,660,661,665,666,668,669,678,679,680,681,684,689,690,697,699,709,710,711,759,822 -draft_45277_00164 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,699,700,705,709,710,711,736,799 -draft_45277_00165 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00166 10,11,12,13,15,16,19,20,34,144,146,147,179,180,181,182,186,256,257,258,259,260,284,285,286,287,294,300,333,334,341,342,345,346,350,352,353,354,356,357,358,359,366,367,369,371,372,373,374,375,376,377,378,380,382,383,385,387,388,390,391,393,394,397,400,401,404,406,413,415,417,419,431,432,435,436,438,442,443,446,447,448,450,451,454,458,465,466,469,471,473,474,476,477,479,483,485,486,488,489,490,491,492,496,499,500,503,505,507,508,517,520,521,522,524,525,528,531,539,540,541,542,543,546,547,548,549,550,553,556,557,561,565,566,570,571,573,574,575,577,578,579,583,585,586,587,590,593,595,596,597,600,601,604,605,607,608,609,612,614,619,620,627,629,634,635,637,638,639,641,642,644,652,653,655,656,657,658,661,665,666,667,669,675,678,679,680,681,683,684,690,692,703,704,709,710,711,722,743,771,785,806,834 -draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 -draft_45277_00168 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,632,633,635,638,640,641,642,643,652,654,656,661,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00169 10,11,12,13,15,16,19,20,21,179,180,186,187,256,258,284,285,286,287,333,334,335,336,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,420,430,431,435,442,447,471,477,491,499,517,521,525,541,542,543,545,549,553,557,565,566,568,569,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,631,635,638,641,642,652,656,657,661,663,665,667,669,677,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,712,713,715,736,762,778,799,825 -draft_45277_00170 10,11,12,19,20,21,179,180,186,187,256,258,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,407,417,421,431,433,435,442,444,447,471,491,494,499,517,521,525,536,542,543,549,553,554,557,565,571,574,575,576,579,580,582,583,585,591,596,598,600,604,607,609,618,619,620,624,626,635,638,640,641,642,643,652,654,656,661,665,668,669,672,678,679,680,681,685,689,690,691,693,694,697,698,699,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00171 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,347,353,356,357,367,371,372,382,383,385,386,406,407,410,417,421,431,433,435,437,442,444,447,449,471,477,491,494,499,517,521,525,536,542,543,549,553,554,557,565,566,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,633,635,638,640,641,642,643,652,654,656,661,665,667,668,669,672,673,678,679,680,681,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,713,715,741,757,778,804,820 -draft_45277_00172 10,11,12,13,15,16,179,180,186,187,214,219,220,256,258,284,285,286,333,334,341,345,346,352,356,357,366,371,372,375,377,378,385,391,392,417,431,435,438,442,447,450,465,471,491,496,503,517,521,525,541,546,547,550,553,557,565,571,578,579,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,657,658,661,665,666,669,678,679,680,684,689,697,698,709,710,711,759,822 -draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 -draft_45277_00174 10,11,12,19,20,21,179,180,182,186,187,193,256,257,258,260,284,285,287,309,333,334,342,345,353,356,357,371,372,382,383,385,386,406,407,410,417,421,431,433,435,442,444,447,463,471,477,491,494,499,517,521,525,536,538,542,543,545,549,553,554,557,565,566,568,571,574,575,576,579,580,582,583,585,589,590,591,595,596,598,600,604,605,607,609,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,697,698,699,701,702,705,706,709,710,711,715,741,757,778,804,820 -draft_45277_00175 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713 -draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 -draft_45277_00177 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 -draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 -draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 -draft_45277_00184 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00186 10,11,12,19,20,284,285,287,309,333,345,347,353,367,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 -draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00191 10,11,12,19,20,21,284,285,287,309,333,345,353,381,407,421,441,444,453,536,580,583,618,638,680,681,685,689,690,693,697,699,705 -draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 -draft_45277_00194 10,11,12,19,20,179,180,256,284,285,287,309,333,334,336,345,353,356,357,371,372,375,381,385,407,417,421,431,435,441,442,444,447,453,471,491,517,521,525,536,553,557,565,571,579,580,583,585,596,598,600,604,609,618,619,635,638,641,642,656,661,665,669,678,679,680,681,685,689,690,693,697,698,699,705,709,710,711,713,714,777 -draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 -draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 -draft_45277_00199 10,11,12,19,20,284,285,287,309,333,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,582,583,618,638,640,643,680,681,685,689,690,693,697,699,705 -draft_45277_00200 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,340,341,342,345,347,352,353,356,357,358,359,367,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,549,550,553,556,557,565,571,572,574,575,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,620,622,629,634,635,638,639,641,642,644,656,657,658,661,665,666,668,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00201 10,11,12,13,14,15,16,17,19,20,21,22,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,704,705,708,709,710,711,713 -draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 -draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 -draft_45277_00209 10,11,12,13,14,15,16,17,19,20,21,144,146,147,149,150,151,153,154,156,157,158,165,256,257,258,259,260,261,284,285,286,287,300,309,333,334,341,345,352,353,356,357,358,359,371,372,375,377,378,381,385,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,438,441,442,443,444,447,450,453,454,465,471,473,483,491,496,503,507,521,524,525,528,531,536,539,540,546,547,550,553,556,557,565,571,578,579,580,583,585,586,593,594,596,601,602,604,608,609,614,618,619,622,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,703,704,705,708,709,710,711,713 -draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 -draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv deleted file mode 100644 index be2c5b8dd..000000000 --- a/processed_data/draft_45277/draft_45277_fingerprints_pubchem_isomeric_success.tsv +++ /dev/null @@ -1,115 +0,0 @@ -id bits.on -draft_45277_00003 10,11,12,15,16,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,570,580,581,583,593,603,612,614,618,638,639,644,646,647,657,660,680,681,683,684,685,686,687,688,690,693 -draft_45277_00004 10,11,15,16,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,583,593,618,638,644,680,681,683,684,685,690,691,693,694,702,706 -draft_45277_00005 10,11,15,16,19,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,347,352,353,356,358,359,366,367,371,373,374,376,377,380,388,390,391,393,394,397,400,401,404,407,417,419,432,436,438,442,443,446,447,448,450,451,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,539,540,541,546,547,548,557,561,567,570,571,572,573,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,692,703 -draft_45277_00006 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,684,685,692,696 -draft_45277_00007 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00011 10,11,12,15,19,20,21,284,285,286,287,333,340,342,345,346,347,352,353,366,367,375,381,391,392,406,421,441,444,453,536,541,567,580,582,593,614,615,616,638,640,643,660,683,686 -draft_45277_00012 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00013 10,11,15,19,20,21,22,31,179,182,284,285,286,287,300,309,315,333,339,340,341,342,345,346,347,348,352,353,366,367,368,381,394,406,407,408,412,426,457,529,564,567,568,572,583,593,615,616,618,638,639,640,644,662,663,664,680,681,682,683,684,690,691,692,702,704 -draft_45277_00014 10,11,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,413,421,441,444,453,508,529,536,537,567,580,587,618,638,644,659 -draft_45277_00016 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00020 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00021 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644,709 -draft_45277_00023 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,489,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00024 10,11,12,15,16,17,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,440,441,442,443,444,446,447,448,450,451,452,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,581,583,586,593,594,596,597,600,603,608,609,612,614,618,637,638,641,644,646,647,655,657,658,660,666,675,681,683,684,685,686,692,696,703 -draft_45277_00026 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00027 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00028 10,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,582,618,640,643,644 -draft_45277_00029 10,11,15,19,20,144,146,147,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,391,393,394,407,421,441,444,453,529,536,537,541,567,580,583,593,603,614,618,638,644,657,660,681,684,685,692,696 -draft_45277_00031 10,11,15,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,409,415,421,441,444,453,458,459,460,466,529,536,537,567,580,618,638,644 -draft_45277_00032 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,489,491,492,496,500,503,505,507,520,522,524,528,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00033 10,11,12,15,19,20,21,31,284,285,286,287,309,315,333,340,342,345,346,347,352,353,366,367,375,391,392,407,408,412,426,457,541,567,568,572,618,640,660,664 -draft_45277_00036 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,347,352,353,366,367,381,394,407,421,441,444,453,529,536,537,567,572,580,618,638,639,644,682,687 -draft_45277_00037 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00038 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,680,681,682,690,691,702 -draft_45277_00039 10,11,19,20,21,284,285,287,309,333,340,342,345,347,353,367,407,568,572,583,618,638,640,664,681,682,691 -draft_45277_00041 10,11,15,19,20,21,284,285,286,287,300,309,333,339,341,345,346,352,353,366,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,683,685,686,691,694,695 -draft_45277_00043 10,11,19,20,21,22,31,179,182,284,285,287,309,315,333,340,342,345,347,348,353,367,368,381,406,407,408,412,426,457,564,568,572,583,615,618,638,640,662,663,664,680,681,682,690,691,702 -draft_45277_00044 10,11,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,394,407,421,441,444,453,529,536,537,567,572,580,582,618,638,640,643,644 -draft_45277_00045 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00046 10,11,12,15,19,20,21,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,348,352,353,366,367,368,375,381,391,393,394,406,407,421,440,444,452,529,541,564,567,568,572,583,593,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,690,691,692,702,703,704 -draft_45277_00047 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,408,412,417,419,421,426,435,436,439,442,443,446,447,448,450,451,452,454,457,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,567,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00048 10,11,12,15,19,20,21,22,179,182,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,381,391,393,394,406,407,421,440,441,444,452,453,463,529,536,538,541,564,567,568,572,580,583,593,606,614,615,616,618,638,639,640,644,646,647,657,660,662,663,664,680,681,682,683,684,685,687,689,690,691,692,693,696,697,699,702,703,704,705,708 -draft_45277_00049 10,11,15,16,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,376,381,391,393,394,407,421,441,444,452,453,529,536,537,541,561,567,580,583,593,614,618,638,644,646,647,655,681,684,685,692,696,703 -draft_45277_00051 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,339,341,345,346,352,353,356,358,359,366,371,373,374,375,376,377,380,381,388,390,391,392,394,397,398,404,407,417,419,421,432,436,438,441,442,443,444,446,447,448,450,451,453,454,473,483,485,486,488,491,492,496,500,503,505,507,520,522,524,529,536,537,539,540,541,546,547,548,557,561,567,570,571,573,580,583,586,593,594,596,597,600,608,609,612,614,618,637,638,641,644,655,658,666,675,681,683,684,685,686,692,696,703 -draft_45277_00053 10,11,12,19,20,21,22,179,182,186,189,284,285,287,309,333,340,342,345,347,348,353,367,368,381,406,407,564,568,572,583,611,615,618,638,640,662,663,664,680,681,682,690,691,701,702 -draft_45277_00054 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,618,638,644 -draft_45277_00057 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,435,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,567,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,660,663,664,673,674,675,681,682,683,684,691,692,703 -draft_45277_00059 10,11,15,16,19,20,144,146,147,256,257,284,285,286,287,300,309,333,341,345,346,352,353,356,358,359,366,371,373,374,376,377,380,381,388,390,391,393,394,397,400,401,404,407,417,419,421,432,435,436,438,441,442,443,444,446,447,448,450,451,453,454,465,471,473,483,485,486,488,489,491,492,496,500,503,505,507,517,520,521,522,524,525,528,529,539,540,541,546,547,548,554,556,557,561,565,570,573,574,585,586,597,600,612,614,620,637,644,655,658,661,665,668,672,673,675,678,679 -draft_45277_00060 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,379,380,385,388,390,391,392,394,397,398,404,406,407,417,419,421,435,436,439,442,443,446,447,448,450,451,452,454,465,473,483,485,488,492,496,503,505,507,517,520,522,524,531,539,540,541,546,547,550,556,561,568,572,573,577,583,586,593,594,597,602,613,614,615,618,622,629,637,638,639,640,644,646,647,648,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00062 10,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,394,407,414,421,441,444,453,529,536,537,567,618,644 -draft_45277_00063 10,11,12,15,16,17,19,20,21,22,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00066 10,11,12,15,16,19,20,21,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,570,580,583,593,603,612,614,618,638,644,646,647,657,660,681,684,685,686,692,694,695,696,703 -draft_45277_00072 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,432,438,439,440,442,443,444,448,450,451,452,454,457,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00073 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,366,371,372,381,382,383,385,394,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,529,536,537,542,543,549,553,557,565,567,571,574,575,579,580,583,585,591,593,596,600,604,607,608,609,618,619,620,635,638,641,642,644,652,656,661,665,668,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711,715,778 -draft_45277_00077 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,366,367,371,372,375,382,383,385,391,393,394,407,417,431,435,442,447,471,491,499,517,521,525,529,541,542,543,549,553,557,565,567,571,572,574,575,579,583,585,591,593,596,600,604,607,608,609,614,618,619,620,635,638,641,642,644,652,656,660,661,665,668,669,678,679,680,681,682,684,689,690,692,697,699,700,703,709,710,711,736,799 -draft_45277_00078 10,11,12,15,16,19,20,21,22,31,144,147,179,181,182,256,257,284,285,286,287,300,309,315,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,408,412,417,419,421,426,431,436,440,442,443,444,446,447,448,450,451,452,454,457,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00079 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00081 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,711 -draft_45277_00084 10,11,15,19,20,284,285,286,287,300,309,333,334,336,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,681,685,709,710 -draft_45277_00089 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,340,342,345,346,347,352,353,356,359,366,367,371,372,373,374,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,435,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,503,505,507,517,520,522,524,528,531,536,539,540,541,546,547,550,554,556,561,568,572,573,577,581,583,586,593,594,597,602,613,614,615,618,622,625,629,637,638,639,640,644,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00090 10,11,15,19,20,284,285,286,287,300,309,333,339,341,345,346,352,353,366,375,381,394,407,421,441,444,453,529,536,537,567,580,583,593,618,638,644,680,681,684,685,690,693 -draft_45277_00091 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,375,381,391,393,394,407,414,421,440,441,444,452,453,529,536,537,541,567,603,618,644,646,647,657,660 -draft_45277_00093 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00094 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00097 10,11,12,15,16,19,144,146,147,179,181,182,256,257,284,285,286,287,333,334,339,341,345,346,352,353,356,357,359,366,371,372,373,374,375,377,385,388,391,392,397,404,417,419,421,431,435,436,440,442,443,444,446,447,448,450,452,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,531,536,539,540,541,546,547,550,553,556,557,565,571,577,578,579,580,583,585,586,593,594,596,600,601,604,608,609,614,619,629,634,635,641,646,647,657,658,661,665,666,669,678,679,680,684,685,686,689,693,697,705,709,710,711 -draft_45277_00099 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,529,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,647,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00101 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,648,655,657,658,663,664,674,675,681,683,684,691,692,703 -draft_45277_00102 10,11,12,15,16,17,19,20,21,31,144,146,147,151,154,179,181,182,186,189,256,257,258,259,284,285,286,287,300,309,315,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,408,412,417,419,426,432,438,439,442,443,448,450,451,454,457,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00103 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,682,683,684,691,692,703 -draft_45277_00104 10,11,12,15,16,17,19,20,21,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,374,376,377,378,379,380,382,385,387,388,389,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,432,438,439,440,442,443,444,448,450,451,452,454,465,473,483,485,486,488,489,492,494,495,496,500,505,507,520,522,524,528,531,536,537,539,541,546,548,550,554,556,561,567,568,570,572,573,581,583,586,593,594,597,602,603,612,613,614,615,618,622,625,629,637,638,639,640,646,648,651,655,657,658,660,663,664,674,675,681,682,683,684,691,692,703 -draft_45277_00105 10,11,12,15,16,17,19,20,144,146,147,151,153,154,158,161,179,181,182,256,257,258,259,260,261,284,285,286,287,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,373,374,376,377,378,379,380,385,387,388,389,390,391,392,397,398,404,405,406,407,417,419,432,436,438,439,442,443,446,447,448,450,451,454,465,473,483,485,486,488,492,496,500,503,505,507,517,520,522,524,531,539,540,541,546,547,548,550,556,561,568,570,572,573,578,583,586,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,663,664,675,681,683,684,691,692,703 -draft_45277_00107 10,11,12,15,16,19,20,21,144,147,179,181,182,256,257,284,285,286,287,300,309,333,334,340,342,345,346,347,352,353,356,357,359,366,367,371,373,374,375,376,377,380,382,385,388,390,391,392,393,394,397,398,400,401,404,406,407,417,419,421,431,436,440,442,443,444,446,447,448,450,451,452,454,465,473,483,485,488,489,492,494,496,505,507,520,522,524,528,531,536,539,541,546,550,554,556,561,568,572,573,577,581,583,586,593,594,597,600,602,613,614,615,618,622,625,629,637,638,639,640,646,647,648,651,655,657,658,663,664,673,674,675,681,683,684,691,692,703 -draft_45277_00113 10,11,12,15,19,179,180,256,284,285,286,287,300,309,333,334,339,340,341,342,345,346,347,352,353,356,357,366,367,371,372,375,385,394,407,417,431,435,442,447,471,491,517,521,525,529,549,553,557,565,567,571,572,574,575,579,583,585,593,596,600,604,608,609,618,619,620,635,638,641,642,644,656,661,665,668,669,678,679,680,681,684,689,690,697,699,709,710,711 -draft_45277_00115 10,11,15,19,20,34,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,367,369,375,381,391,393,394,407,413,421,441,444,449,452,453,508,529,536,537,541,567,580,587,603,614,618,638,644,646,647,660 -draft_45277_00116 10,11,12,15,19,20,21,284,285,286,287,300,309,333,334,335,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,463,529,536,538,541,567,572,580,581,593,614,618,638,639,640,644,646,647,657,660,683,687,709,712 -draft_45277_00117 10,11,12,15,16,17,19,20,34,35,144,146,147,256,257,284,285,286,294,300,306,333,341,345,350,352,354,356,358,359,369,371,376,377,380,384,388,391,394,397,404,413,417,419,422,432,438,439,442,443,447,450,451,454,460,473,474,475,476,481,483,485,488,490,496,501,503,507,508,509,532,534,539,540,547,561,587,600,644,655,659,675 -draft_45277_00119 10,11,12,15,16,17,19,20,34,144,147,256,257,284,285,286,287,294,300,302,333,342,345,346,350,352,353,354,356,366,369,371,372,375,376,382,385,391,392,393,394,396,402,406,410,413,417,421,424,433,435,442,444,446,447,450,455,456,465,471,477,491,494,499,503,508,517,521,525,529,536,537,541,542,543,549,550,553,554,557,561,565,566,567,571,574,575,579,580,583,585,587,590,593,595,596,598,600,603,604,605,607,608,609,614,615,616,620,621,624,627,629,633,634,635,637,638,641,642,644,652,655,656,659,660,661,665,667,669,672,673,678,679,680,681,684,685,692,696,703 -draft_45277_00121 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,546,547,550,553,556,557,565,567,571,577,578,579,580,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,759,822 -draft_45277_00122 10,11,12,13,15,16,17,19,20,21,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,440,441,444,452,453,508,529,536,537,541,561,567,570,580,583,587,593,612,614,618,637,638,644,646,647,655,657,659,680,681,684,685,689,690,693,697,705 -draft_45277_00124 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00130 10,11,12,15,16,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,342,345,346,352,353,356,357,358,359,366,367,371,372,373,374,375,377,378,381,382,383,385,386,387,388,391,393,394,397,400,401,404,406,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,477,483,491,492,496,499,503,507,517,521,522,524,525,528,529,531,536,537,539,540,541,542,543,546,547,549,550,553,556,557,565,566,567,571,574,575,577,578,579,580,583,585,586,590,593,595,596,600,601,604,605,607,608,609,614,618,619,620,627,629,634,635,638,641,642,644,652,656,657,658,661,665,666,667,669,678,679,680,681,683,684,685,689,690,692,693,696,697,698,699,700,703,705,709,710,711,713,722,736,759,785,799,822 -draft_45277_00133 10,11,12,13,19,20,21,22,179,180,186,187,256,284,285,287,309,333,334,338,340,342,345,347,353,356,357,367,371,372,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,463,471,491,499,517,521,525,536,538,542,543,545,549,553,554,557,565,568,571,572,574,575,579,580,583,585,591,595,596,600,604,607,609,615,618,619,620,632,635,638,640,641,642,652,656,661,663,664,665,667,668,669,672,673,678,679,680,681,682,685,687,689,690,691,693,694,699,700,701,702,705,706,709,710,711,715,736,762,778,783,799,804,825 -draft_45277_00136 10,11,12,15,16,17,19,20,34,144,146,147,151,154,179,181,182,256,257,258,259,284,285,286,287,294,300,309,333,340,341,342,345,346,347,350,352,353,354,356,358,359,360,366,367,369,374,375,376,377,378,379,380,385,387,388,389,390,391,392,394,397,398,404,406,407,413,417,419,432,438,439,442,443,448,450,451,454,465,473,483,485,486,488,492,496,500,505,507,508,520,522,524,531,539,541,546,548,550,556,561,567,568,570,572,573,583,586,587,593,594,597,602,612,613,614,615,618,622,629,637,638,639,640,655,657,658,660,663,664,675,681,683,684 -draft_45277_00138 10,11,12,19,20,21,179,180,256,284,285,287,309,333,334,342,345,353,356,357,371,372,381,382,383,385,407,417,421,431,435,441,442,444,447,453,471,491,499,517,521,525,542,543,545,549,553,554,557,565,568,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,632,635,638,641,642,652,656,661,664,665,668,669,672,673,678,679,680,681,689,690,700,709,710,711,715,736,762,778,799,825 -draft_45277_00140 10,11,12,19,20,21,179,180,185,186,187,193,256,258,284,285,287,309,333,334,340,342,345,347,353,356,357,367,371,372,382,383,385,406,407,417,431,435,442,447,471,477,491,499,517,521,525,542,543,545,549,553,557,565,566,568,571,572,574,575,576,579,583,585,590,591,595,596,600,604,605,607,609,615,618,619,620,621,627,632,633,635,638,640,641,642,652,654,656,661,663,664,665,667,668,669,678,679,680,681,682,689,690,691,697,698,699,700,701,702,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00141 10,11,12,15,16,19,20,34,144,146,147,151,154,284,285,286,287,294,300,309,333,339,341,345,346,350,352,353,354,366,369,376,381,391,393,394,407,413,421,441,444,452,453,508,529,536,541,561,570,580,583,587,593,612,614,618,637,638,644,646,647,655,659,680,681,684,685,689,690,693,697,699,705 -draft_45277_00142 10,11,12,13,15,16,17,19,20,21,22,31,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,315,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,408,412,417,419,421,426,431,432,435,438,439,440,442,443,444,447,450,451,452,454,457,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00145 10,11,12,15,16,19,20,21,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,367,371,372,375,381,385,391,393,394,406,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,570,571,579,580,581,583,585,593,596,600,603,604,608,609,612,614,616,618,619,635,638,639,641,644,646,647,657,660,661,665,669,678,679,680,681,683,684,685,686,687,688,689,690,693,697,699,705,709,710,711 -draft_45277_00146 10,11,12,13,15,16,17,19,20,21,179,180,184,185,186,191,192,193,256,284,285,286,287,300,309,333,334,340,341,342,345,346,347,352,353,356,357,358,359,360,366,367,371,372,375,376,377,378,380,382,385,387,388,390,391,392,393,394,397,398,400,401,404,407,417,419,421,431,432,435,438,439,440,442,443,444,447,450,451,452,454,465,471,473,483,485,486,488,489,491,495,496,500,503,505,507,520,521,522,524,525,528,531,536,537,539,540,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,577,578,579,581,583,585,586,593,594,596,597,600,601,603,604,608,609,612,614,618,619,629,634,635,637,638,639,640,641,646,648,651,655,657,658,660,661,664,665,666,669,675,678,679,680,681,682,683,684,689,692,697,703,709,710,711,713,717,738,756,771,780,801,819,834 -draft_45277_00147 10,11,12,15,19,20,179,180,256,284,285,286,287,300,309,333,334,339,341,345,346,352,353,356,357,366,371,372,375,381,385,391,393,394,407,417,421,431,435,440,441,442,444,447,452,453,471,491,517,521,525,529,536,537,541,553,557,565,567,571,579,580,583,585,593,596,600,603,604,608,609,614,618,619,635,638,641,644,646,647,657,660,661,665,669,678,679,680,681,684,685,689,690,693,697,699,705,709,710,711 -draft_45277_00149 10,11,12,13,15,16,17,19,20,21,144,146,147,151,154,179,180,181,182,186,256,257,258,259,260,284,285,286,287,300,309,333,340,341,342,345,346,347,352,353,356,358,359,360,366,367,371,372,374,376,377,378,379,380,385,387,388,389,390,391,392,393,394,397,398,404,406,407,417,419,432,435,438,439,442,443,447,448,450,451,454,465,471,473,483,485,486,488,491,492,496,500,503,505,507,517,520,521,522,524,525,531,539,541,546,547,548,550,553,556,557,561,565,567,568,570,571,572,573,579,583,585,586,593,594,596,597,600,601,602,604,608,609,612,613,614,615,618,619,622,629,634,635,637,638,639,640,641,644,655,657,658,660,661,663,664,665,666,669,675,678,679,680,681,682,683,684,691,692,703 -draft_45277_00153 10,11,12,15,16,19,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,339,341,345,346,347,352,353,356,357,358,359,366,367,371,372,373,374,377,378,385,386,387,388,391,393,394,397,400,401,404,407,417,419,431,432,435,436,438,442,443,446,447,448,450,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,556,557,565,567,571,572,577,578,579,583,585,586,593,596,600,601,604,608,609,614,618,619,629,634,635,638,641,644,657,658,661,665,666,669,678,679,680,681,684,689,690,692,697,698,699,700,703,709,710,711,713,759,822 -draft_45277_00156 10,11,12,13,19,20,21,22,179,180,182,185,186,187,189,193,200,207,256,258,284,285,287,309,333,334,340,342,345,347,348,353,356,357,367,368,371,372,375,381,382,383,385,406,407,417,421,431,433,435,442,444,447,471,477,491,494,499,517,521,525,536,542,543,545,549,553,554,557,564,565,566,568,571,572,574,575,576,579,580,582,583,585,590,591,595,596,598,600,604,605,607,609,611,615,618,619,620,621,624,626,627,631,632,633,635,638,640,641,642,643,652,654,656,661,662,663,664,665,667,668,669,672,678,679,680,681,682,685,689,690,691,693,694,697,698,699,700,701,702,705,706,709,710,711,715,736,741,757,762,778,799,804,820,825 -draft_45277_00159 10,11,12,15,19,20,144,146,147,179,180,256,257,258,284,285,286,287,300,309,333,334,341,345,346,352,353,356,357,358,359,366,371,372,373,374,377,378,381,385,386,387,388,391,393,394,397,400,401,404,407,417,419,421,431,432,435,436,438,441,442,443,444,446,447,448,450,453,454,465,471,473,483,491,492,496,503,507,517,521,522,524,525,528,529,531,539,540,541,546,547,550,553,554,556,557,565,571,574,577,578,579,583,585,586,593,596,600,601,604,608,609,614,619,620,629,634,635,641,644,657,658,661,665,666,668,669,672,673,678,679,680,684,689,697,698,709,710,711,713,759,822 -draft_45277_00162 10,11,12,13,15,19,179,180,181,182,183,186,187,193,200,256,284,285,286,287,333,334,335,336,339,341,342,345,346,352,353,356,357,366,367,371,372,375,382,383,385,391,392,406,417,431,435,442,447,471,477,491,499,517,521,525,541,542,543,549,553,557,565,566,571,574,575,579,583,585,590,593,595,596,600,604,605,607,608,609,614,619,620,627,635,638,641,642,652,656,657,661,665,667,669,678,679,680,681,684,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,780,798,799,801,819,822 -draft_45277_00167 10,11,12,19,20,179,180,256,284,285,287,309,333,334,342,345,353,356,357,367,371,372,375,381,382,383,385,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,542,543,549,553,554,557,565,566,571,574,575,579,583,585,590,595,596,600,604,605,607,609,619,620,627,635,638,641,642,652,656,661,665,667,668,669,672,673,678,679,680,681,689,690,709,710,711,715,778 -draft_45277_00173 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,682,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,841,861,862 -draft_45277_00176 10,11,12,19,179,183,284,285,287,333,334,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,709,710,711 -draft_45277_00178 10,11,12,13,19,20,21,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,640,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00179 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00180 10,11,12,19,20,179,180,186,187,256,258,284,285,287,309,333,334,336,342,345,353,356,357,367,371,372,375,381,382,383,385,386,406,407,417,421,431,435,441,442,444,447,453,471,477,491,499,517,521,525,536,542,543,549,553,557,565,566,571,574,575,579,580,583,585,590,595,596,598,600,604,605,607,609,618,619,620,627,635,638,641,642,652,656,661,665,667,669,678,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,713,714,715,735,736,756,777,778,798,799,819 -draft_45277_00181 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00182 10,11,12,13,19,20,144,145,179,180,183,186,187,193,256,284,285,287,309,333,334,335,336,338,342,345,353,356,357,371,372,375,382,383,385,407,417,418,428,429,431,435,442,447,461,471,491,499,517,521,525,542,543,549,553,557,565,571,574,575,579,583,585,591,596,600,604,607,609,618,619,620,635,638,641,642,652,656,661,665,668,669,678,679,680,681,689,690,697,698,699,700,709,710,711,712,713,715,736,756,777,778,798,799,819,840,841,861,862 -draft_45277_00183 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,861 -draft_45277_00185 10,11,12,13,19,20,144,145,147,151,179,180,183,186,190,193,284,285,287,333,334,335,336,338,342,345,353,375,381,406,417,421,431,433,435,441,442,444,447,453,491,517,525,536,554,557,565,580,583,600,615,638,641,661,665,672,679,680,681,685,687,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00187 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,557,572,580,583,600,618,638,641,642,661,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,861 -draft_45277_00188 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,338,342,345,353,375,407,417,421,431,433,435,442,444,447,463,491,525,536,538,554,557,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00189 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,333,334,335,336,342,345,353,375,421,433,444,536,580,583,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,861 -draft_45277_00190 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00192 10,11,12,13,15,19,20,21,144,145,179,180,186,187,193,194,284,285,286,287,300,309,333,334,335,336,340,342,345,346,347,352,353,366,367,375,381,391,393,394,407,421,440,441,444,452,453,529,536,537,541,567,572,580,583,593,603,614,618,638,644,646,647,657,660,680,681,684,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00193 10,11,12,13,19,20,144,148,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,673,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819 -draft_45277_00195 10,11,12,13,19,20,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,421,433,444,536,572,580,583,618,638,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,861 -draft_45277_00196 10,11,12,13,15,19,20,144,145,146,147,151,179,180,183,186,187,193,256,257,284,285,286,287,302,309,333,334,335,336,338,342,345,346,352,353,356,357,359,366,371,373,374,375,377,382,385,388,396,407,417,418,419,421,424,428,429,431,433,435,436,442,443,444,446,447,448,450,455,461,465,471,491,494,499,515,521,524,525,531,536,539,542,546,549,550,554,556,557,559,565,571,574,580,581,583,585,593,596,600,601,607,609,618,620,625,634,635,638,639,641,653,661,665,666,669,672,673,674,678,679,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,798,819,840,841,861,862 -draft_45277_00197 10,11,12,13,15,19,20,21,34,144,145,179,180,186,187,193,194,284,285,286,287,294,300,309,333,334,335,336,340,342,345,346,347,350,352,353,354,366,367,369,375,391,393,394,407,409,415,421,440,444,452,458,459,460,466,529,536,541,572,580,583,593,614,618,638,644,646,647,657,680,681,684,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00198 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,433,441,444,453,536,572,580,583,618,638,680,681,685,689,690,693,694,697,698,699,700,705,706,709,710,711,712,713,777,778,798,799,819,840,861 -draft_45277_00202 10,11,12,13,15,19,20,284,285,286,287,300,309,333,339,340,341,342,345,346,347,352,353,366,367,375,394,407,529,567,572,583,593,618,638,640,644,680,681,684,689,690,697,699 -draft_45277_00203 10,11,12,13,19,20,21,144,145,179,180,186,187,193,194,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,421,441,444,453,536,572,580,583,618,638,680,681,685,689,690,691,693,697,698,699,700,702,705,709,710,711,712,713,777,778,798,799,819,820,840,861 -draft_45277_00204 10,11,12,13,19,20,21,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,381,407,417,421,431,433,435,441,442,444,447,453,491,525,536,554,557,572,580,583,600,618,638,641,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00205 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00206 10,11,12,13,19,20,179,180,183,186,187,193,194,200,201,207,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,431,435,442,447,491,525,557,572,583,600,618,638,641,661,679,680,681,689,690,697,698,699,700,709,710,711,712,713,777,778,798,799,819,820 -draft_45277_00207 10,11,12,13,19,20,179,183,284,285,287,309,333,334,335,345,353,375,381,407,417,421,431,435,441,442,444,447,453,491,517,525,554,557,565,574,583,600,620,641,661,665,668,672,679,680,689,697,698,709,710,711,712 -draft_45277_00208 10,11,12,13,19,179,183,284,285,287,333,334,335,345,347,353,367,375,417,421,431,435,437,442,444,447,449,491,517,525,554,557,565,583,600,641,661,665,672,679,680,689,697,698,709,710,711,712 -draft_45277_00210 10,11,12,13,19,20,144,145,179,180,183,186,187,193,284,285,287,309,333,334,335,336,340,342,345,347,353,367,375,407,417,421,431,433,435,442,444,447,491,525,536,554,557,572,580,583,600,618,638,641,642,661,672,679,680,681,685,689,690,693,697,698,699,700,705,709,710,711,712,713,777,778,798,819,840,861 -draft_45277_00211 10,11,12,13,19,144,145,179,180,183,186,187,193,284,285,287,333,334,335,336,342,345,353,375,417,421,431,433,435,442,444,447,491,525,536,554,557,580,583,600,641,661,672,679,680,685,689,693,697,698,705,709,710,711,712,713,777,798,819,840,861 diff --git a/processed_data/draft_45277/draft_45277_info.tsv b/processed_data/draft_45277/draft_45277_info.tsv deleted file mode 100644 index c9aca01e5..000000000 --- a/processed_data/draft_45277/draft_45277_info.tsv +++ /dev/null @@ -1,2 +0,0 @@ -id authors name url comment -draft_45277 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun diff --git a/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv b/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv deleted file mode 100644 index 4d9cddf2c..000000000 --- a/processed_data/draft_45277/draft_45277_rtdata_canonical_success.tsv +++ /dev/null @@ -1,212 +0,0 @@ -id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment -draft_45277_00001 C4H11NO2 0.6 C(CO)NCCO InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 ZBCBWPMODOFKDW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) -draft_45277_00002 C5H9N3 0.6 C1=C(NC=N1)CCN InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) NTYJJOPFIAHURM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Primary amines (CHEMONTID:0002450) 2-arylethylamines (CHEMONTID:0004253) -draft_45277_00003 C10H19N3O5 0.6 C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18) OAMLVOVXNKILLQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) -draft_45277_00004 C6H14N2O3 0.6 C(CC(C(=O)O)N)C(CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11) YSMODUONRAFBET-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00005 C6H11N3O 0.6 C1=C(NC=N1)CC(CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9) ZQISRDCJNBUVMM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) -draft_45277_00006 C5H12N2O2 0.6 C(CC(C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00007 C6H14N2O2 0.6 C(CCN)CC(C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00008 C2H7NO2S 0.7 C(CS(=O)O)N InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) VVIUBCNYACGLLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Sulfinic acids and derivatives (CHEMONTID:0000269) Sulfinic acids (CHEMONTID:0001269) NA (NA) NA (NA) -draft_45277_00009 C4H9NO2 0.7 C(CC(=O)O)CN InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) BTCSSZJGUNDROE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) -draft_45277_00010 C8H12N2O2 0.7 CC1=NC=C(C(=C1O)CN)CO InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3 NHZMQXZHNVQTQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridoxamines (CHEMONTID:0001966) Pyridoxamine 5'-phosphates (CHEMONTID:0004259) NA (NA) -draft_45277_00011 C9H17NO4 0.7 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) -draft_45277_00012 C4H9NO2 0.7 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00013 C6H14NO8P 0.7 C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13) XHMJOUIAFHJHBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) -draft_45277_00014 C7H14N2O4S 0.7 C(CSCC(C(=O)O)N)C(C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) ILRYLPWNYFXEMH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00015 C7H8N2O 0.7 CNC(=O)C1=CN=CC=C1 InChI=1S/C7H8N2O/c1-8-7(10)6-3-2-4-9-5-6/h2-5H,1H3,(H,8,10) ZYVXHFWBYUDDBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxamides (CHEMONTID:0001326) Nicotinamides (CHEMONTID:0002253) -draft_45277_00016 C10H14N5O8P 0.7 C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18) RQFCJASXJCIDSX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00017 C4H9NO2 0.7 CN(C)CC(=O)O InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7) FFDGPVCHZBVARC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00018 C9H13NO3 0.7 COC1=C(C=CC(=C1)C(CN)O)O InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3 YNYAYWLBAHXHLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) -draft_45277_00019 C5H11N3O2 0.7 C(CC(=O)O)CN=C(N)N InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) TUHVEAJXIMEOSA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Gamma amino acids and derivatives (CHEMONTID:0001880) -draft_45277_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20) UDMBCSSLTHHNCD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00021 C5H11NO2 0.7 CC(C)C(C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00022 C5H11NO2 0.7 C(CCN)CC(=O)O InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) JJMDCOVWQOJGCB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Delta amino acids and derivatives (CHEMONTID:0001879) -draft_45277_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3 GFYLSDSUCHVORB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00024 C9H14N4O3 0.7 C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16) CQOVPNPJLQNMDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) -draft_45277_00025 C3H7NO2 0.7 CNCC(=O)O InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) FSYKKLYZXJSNPZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00026 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00027 C7H11N3O2 0.7 CN1C=C(N=C1)CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) BRMWTNUJHUMWMS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00028 C3H7NO3 0.7 C(C(C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00029 C5H9NO2 0.7 C1CC(NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00030 C7H12N2O3 0.7 C1CC(N(C1)C(=O)CN)C(=O)O InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12) KZNQNBZMBZJQJO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) -draft_45277_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)C(C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10) VBOQYPQEPHKASR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00032 C6H9N3O2 0.7 C1=C(NC=N1)CC(C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3 SUHOQUVVVLNYQR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) -draft_45277_00034 C5H11NO2 0.7 C[N+](C)(C)CC(=O)[O-] InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00035 C2H7N3 0.7 CN=C(N)N InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5) CHJJGSNFBQVOTG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Guanidines (CHEMONTID:0000375) NA (NA) NA (NA) -draft_45277_00036 C4H9NO3 0.7 C(CO)C(C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8) UKAUYVFTDYCKQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00037 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00038 C6H14O6 0.7 C(C(C(C(C(CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2 FBPFZTCFMRRESA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00039 C5H12O5 0.7 C(C(C(C(CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2 HEBKCHPVOIAQTA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00040 C4H9NO2S 0.7 CSCC(C(=O)O)N InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) IDIDJDIHTAOVLG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00041 C5H9NO4 0.7 C(CC(=O)O)C(C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00042 C7H14N2O4 0.7 C(CC(C(=O)O)N)CC(C(=O)O)N InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13) GMKMEZVLHJARHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00043 C6H13O9P 0.7 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13) NBSCHQHZLSJFNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) -draft_45277_00044 C4H9NO3 0.7 CC(C(C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00045 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) -draft_45277_00046 C8H15NO6 0.7 CC(=O)NC1C(C(C(OC1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11) OVRNDRQMDRJTHS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) removed another duplicate entry -draft_45277_00047 C9H14N3O8P 0.7 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) IERHLVCPSMICTF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) -draft_45277_00048 C11H19NO9 0.7 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19) SQVRNKJHWKZAKO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) -draft_45277_00049 C6H13N3O3 0.7 C(CC(C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00050 C3H9N 0.7 CN(C)C InChI=1S/C3H9N/c1-4(2)3/h1-3H3 GETQZCLCWQTVFV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Tertiary amines (CHEMONTID:0002452) Trialkylamines (CHEMONTID:0002239) -draft_45277_00051 C7H11N3O2 0.7 CN1C=NC=C1CC(C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12) JDHILDINMRGULE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00052 C2H7NO3S 0.7 C(CS(=O)(=O)O)N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic sulfonic acids and derivatives (CHEMONTID:0004434) Organosulfonic acids and derivatives (CHEMONTID:0000270) Organosulfonic acids (CHEMONTID:0001179) NA (NA) -draft_45277_00053 C12H22O11 0.7 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 GUBGYTABKSRVRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) -draft_45277_00054 C4H9NO2 0.7 CCC(C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7) QWCKQJZIFLGMSD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00055 C3H9NO 0.7 C[N+](C)(C)[O-] InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 UYPYRKYUKCHHIB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Aminoxides (CHEMONTID:0003993) Trialkyl amine oxides (CHEMONTID:0004184) NA (NA) -draft_45277_00056 C10H19N5O7 0.7 CN(C)C(=N)N=C(N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O InChI=1S/C6H8O7.C4H11N5/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-9(2)4(7)8-3(5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H3,(H5,5,6,7,8) AFIHOTTTWXQFDO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Tricarboxylic acids and derivatives (CHEMONTID:0001986) NA (NA) NA (NA) -draft_45277_00057 C9H13N2O9P 0.7 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18) DJJCXFVJDGTHFX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) -draft_45277_00058 C4H4N2O2 0.7 C1=CNC(=O)NC1=O InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) ISAKRJDGNUQOIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) -draft_45277_00059 C6H6N2O2 0.7 C1=C(NC=N1)C=CC(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10) LOIYMIARKYCTBW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) -draft_45277_00060 C9H13N3O4 0.7 C1C(C(OC1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15) CKTSBUTUHBMZGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00061 C4H6N4O 0.7 C1=C(N=C(NC1=O)N)N InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9) SWELIMKTDYHAOY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) -draft_45277_00062 C3H7NO2S 0.7 C(C(C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00063 C10H13N4O8P 0.8 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20) GRSZFWQUAKGDAV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00064 C5H5N5 0.8 C1=NC2=NC=NC(=C2N1)N InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) GFFGJBXGBJISGV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) NA (NA) -draft_45277_00065 C4H7NO3 0.8 CC(=O)NCC(=O)O InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8) OKJIRPAQVSHGFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00066 C10H17N3O6S 0.8 C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19) RWSXRVCMGQZWBV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Oligopeptides (CHEMONTID:0004831) -draft_45277_00067 C6H7N5 0.9 CN1C=NC(=N)C2=C1N=CN2 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3,7H,1H3,(H,8,9) ZPBYVFQJHWLTFB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) -draft_45277_00068 C7H5NO4 0.9 C1=CC(=C(N=C1)C(=O)O)C(=O)O InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) GJAWHXHKYYXBSV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) -draft_45277_00069 C6H5NO2 0.9 C1=CC=NC(=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) SIOXPEMLGUPBBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) -draft_45277_00070 C10H12N2O4 1 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) VCKPUUFAIGNJHC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbonyl compounds (CHEMONTID:0001831) Ketones (CHEMONTID:0000118) Aryl ketones (CHEMONTID:0003670) -draft_45277_00071 C6H13NO2 1 C(CCC(=O)O)CCN InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) SLXKOJJOQWFEFD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) -draft_45277_00072 C10H14N5O7P 1 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17) LTFMZDNNPPEQNG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) -draft_45277_00073 C9H11NO3 1 C1=CC(=CC=C1CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00074 C5H11NO2 1 CC(C)(C(=O)O)NC InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) DLAMVQGYEVKIRE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00075 C8H11NO2 1 C1=CC(=C(C=C1CCN)O)O InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Benzenediols (CHEMONTID:0001286) Catechols (CHEMONTID:0000135) Catecholamines and derivatives (CHEMONTID:0000182) -draft_45277_00076 C6H5NO2 1 C1=CC(=CN=C1)C(=O)O InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) -draft_45277_00077 C9H13NO2 1 CNCC(C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3 SONNWYBIRXJNDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) -draft_45277_00078 C10H15N2O8P 1.1 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18) GYOZYWVXFNDGLU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) -draft_45277_00079 C6H13NO2 1.1 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00080 C6H13NO2 1.2 CC(C)C(CC(=O)O)N InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) GLUJNGJDHCTUJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) -draft_45277_00081 C6H13NO2 1.2 CCC(C)C(C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) AGPKZVBTJJNPAG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00082 C10H12N5O6P 1.2 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) KMYWVDDIPVNLME-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 2',3'-cyclic purine nucleotides (CHEMONTID:0001494) NA (NA) -draft_45277_00083 C8H11NO 1.2 C1=CC(=CC=C1CCN)O InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenethylamines (CHEMONTID:0000186) NA (NA) NA (NA) -draft_45277_00084 C6H13NO2 1.3 CC(C)CC(C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00085 C6H7N5 1.3 CNC1=NC=NC2=C1NC=N2 InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) CKOMXBHMKXXTNW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) -draft_45277_00086 C4H7NO 1.3 C1CC(=O)NC1 InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) HNJBEVLQSNELDL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyrrolidines (CHEMONTID:0000218) Pyrrolidones (CHEMONTID:0001158) Pyrrolidine-2-ones (CHEMONTID:0003031) NA (NA) -draft_45277_00087 C8H10NO6P 1.3 CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) NGVDGCNFYWLIFO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridine carboxaldehydes (CHEMONTID:0002212) Pyridoxals and derivatives (CHEMONTID:0000028) NA (NA) -draft_45277_00088 C5H4N4 1.3 C1=C2C(=NC=N1)N=CN2 InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) KDCGOANMDULRCW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) -draft_45277_00089 C9H12N2O5 1.3 C1C(C(OC1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15) MXHRCPNRJAMMIM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00090 C6H13NO2 1.4 CCCCC(C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9) LRQKBLKVPFOOQJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00091 C5H9NO3S 1.4 CC(=O)NC(CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9) PWKSKIMOESPYIA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00092 C6H5NO3 1.4 C1=CC(=O)NC=C1C(=O)O InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) BLHCMGRVFXRYRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyridinecarboxylic acids and derivatives (CHEMONTID:0001322) Pyridinecarboxylic acids (CHEMONTID:0002414) NA (NA) -draft_45277_00093 C10H13N5O5 1.5 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19) NYHBQMYGNKIUIF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00094 C10H12N4O5 1.5 C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18) UGQMRVRMYYASKQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00095 C9H10N2O3 1.6 C1=CC(=CC=C1C(=O)NCC(=O)O)N InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) HSMNQINEKMPTIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) -draft_45277_00096 C10H12N2O 1.6 C1=CC2=C(C=C1O)C(=CN2)CCN InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 QZAYGJVTTNCVMB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) -draft_45277_00097 C10H12N2O 1.6 CN1C(CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 UIKROCXWUNQSPJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) -draft_45277_00098 C9H13NO2 1.7 COC1=C(C=CC(=C1)CCN)O InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) Methoxyphenols (CHEMONTID:0000190) NA (NA) NA (NA) -draft_45277_00099 C10H12N4O4 1.7 C1C(C(OC1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) VGONTNSXDCQUGY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) -draft_45277_00100 C9H11NO3 1.7 C1=CC=C(C(=C1)CC(C(=O)O)N)O InChI=1S/C9H11NO3/c10-7(9(12)13)5-6-3-1-2-4-8(6)11/h1-4,7,11H,5,10H2,(H,12,13) WRFPVMFCRNYQNR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00101 C10H13N5O4 1.7 C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) YKBGVTZYEHREMT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) -draft_45277_00102 C10H12N5O6P 1.8 C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13) IVOMOUWHDPKRLL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) -draft_45277_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) OIRDTQYFTABQOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00104 C10H12N4O6 1.9 C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19) UBORTCNDUKBEOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00105 C12H13N5O3 2 C1C(C(OC1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2 XQQIMTUYVDUWKJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry -draft_45277_00106 C5H9NO 2.1 C1CCNC(=O)C1 InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7) XUWHAWMETYGRKB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Piperidines (CHEMONTID:0000195) Piperidinones (CHEMONTID:0001581) NA (NA) NA (NA) -draft_45277_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16) IQFYYKKMVGJFEH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00108 C7H8N4O3 2.2 CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O InChI=1S/C7H8N4O3/c1-10-4-3(8-6(10)13)5(12)11(2)7(14)9-4/h1-2H3,(H,8,13)(H,9,14) UARKDOLETOEBCU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) -draft_45277_00109 C4H10O3PS 2.3 CCOP(=S)([O-])OCC InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)/p-1 PKUWKAXTAVNIJR-UHFFFAOYSA-M Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Organic thiophosphoric acids and derivatives (CHEMONTID:0001303) Thiophosphoric acid esters (CHEMONTID:0001572) NA (NA) NA (NA) -draft_45277_00110 C6H8N2O2 2.3 CN1C=CC(=O)N(C1=O)C InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Diazines (CHEMONTID:0001346) Pyrimidines and pyrimidine derivatives (CHEMONTID:0000075) Pyrimidones (CHEMONTID:0000291) NA (NA) -draft_45277_00111 C7H9N5 2.4 CN(C)C1=NC=NC2=C1NC=N2 InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11) BVIAOQMSVZHOJM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) 6-aminopurines (CHEMONTID:0002987) 6-alkylaminopurines (CHEMONTID:0003454) -draft_45277_00112 C7H10O4 2.5 CC(=O)CC(=O)CCC(=O)O InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) WYEPBHZLDUPIOD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Keto acids and derivatives (CHEMONTID:0000389) Medium-chain keto acids and derivatives (CHEMONTID:0001415) NA (NA) NA (NA) -draft_45277_00113 C9H13NO 2.6 CC(C(C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3 DLNKOYKMWOXYQA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) -draft_45277_00114 C7H8N4O3 2.6 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13) OTSBKHHWSQYEHK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) -draft_45277_00115 C6H11NO3S 2.6 CSCCC(C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10) PYUSHNKNPOHWEZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00116 C9H17NO5 2.7 CC(C)(CO)C(C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) GHOKWGTUZJEAQD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Beta amino acids and derivatives (CHEMONTID:0001878) -draft_45277_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) -draft_45277_00118 C5H8O4 2.8 CCOC(=O)CC(=O)O InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) HGINADPHJQTSKN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Dicarboxylic acids and derivatives (CHEMONTID:0000346) NA (NA) NA (NA) -draft_45277_00119 C13H22N4O3S 2.8 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) -draft_45277_00120 C14H22N2O3 2.8 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18) METKIMKYRPQLGS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylacetamides (CHEMONTID:0002363) NA (NA) NA (NA) -draft_45277_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) -draft_45277_00122 C16H28N4O4S 3.3 C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24) BAQMYDQNMFBZNA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) -draft_45277_00123 C7H13NO3 3.4 CC(C)CC(=O)NCC(=O)O InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) ZRQXMKMBBMNNQC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20) YZQCXOFQZKCETR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) -draft_45277_00125 C10H12N2 3.4 C1=CC=C2C(=C1)C(=CN2)CCN InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 APJYDQYYACXCRM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) NA (NA) NA (NA) -draft_45277_00126 C6H10O2 3.5 CC1CCCC(=O)O1 InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3 RZTOWFMDBDPERY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Delta valerolactones (CHEMONTID:0001244) NA (NA) NA (NA) -draft_45277_00127 C7H12O3 3.6 C1CC(CCC1C(=O)O)O InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10) HCFRWBBJISAZNK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) Cyclohexanols (CHEMONTID:0002647) -draft_45277_00128 C7H7NO 3.6 C1=CC=C(C=C1)C(=O)N InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) KXDAEFPNCMNJSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) NA (NA) -draft_45277_00129 C8H6O4 3.8 C1=CC=C(C(=C1)C(=O)O)C(=O)O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acids (CHEMONTID:0002565) NA (NA) -draft_45277_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16) KVNPSKDDJARYKK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) -draft_45277_00131 C9H9NO3 3.9 C1=CC=C(C=C1)C(=O)NCC(=O)O InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) QIAFMBKCNZACKA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzamides (CHEMONTID:0000178) Hippuric acids and derivatives (CHEMONTID:0000179) -draft_45277_00132 C12H14N2O2 4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15) MVAWJSIDNICKHF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) -draft_45277_00133 C16H18O9 4 C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23) CWVRJTMFETXNAD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) -draft_45277_00134 C10H7NO2 4.1 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Quinolines and derivatives (CHEMONTID:0001253) Quinoline carboxylic acids (CHEMONTID:0002552) NA (NA) NA (NA) -draft_45277_00135 C8H10N4O3 4.1 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) BYXCFUMGEBZDDI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) Xanthines (CHEMONTID:0000247) NA (NA) -draft_45277_00136 C11H15N5O3S 4.3 CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14) WUUGFSXJNOTRMR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) -draft_45277_00137 C6H10O2 4.3 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Lactones (CHEMONTID:0000050) Gamma butyrolactones (CHEMONTID:0001245) NA (NA) NA (NA) -draft_45277_00138 C9H8O4 4.5 C1=CC(=C(C=C1C=CC(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13) QAIPRVGONGVQAS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) -draft_45277_00139 C10H11NO3 4.6 C1=CC=C(C=C1)CC(=O)NCC(=O)O InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14) UTYVDVLMYQPLQB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00140 C15H14O6 5.2 C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) -draft_45277_00141 C10H16N2O3S 5.3 C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15) YBJHBAHKTGYVGT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) -draft_45277_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29) FVTCRASFADXXNN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) -draft_45277_00143 C17H22N2O 5.8 CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 HCFDWZZGGLSKEP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzylethers (CHEMONTID:0002542) NA (NA) NA (NA) -draft_45277_00144 C12H11N7 5.8 C1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19) FNYLWPVRPXGIIP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) NA (NA) NA (NA) NA (NA) -draft_45277_00145 C14H18N2O5 5.9 COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) IAOZJIPTCAWIRG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) -draft_45277_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27) AUNGANRZJHBGPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) -draft_45277_00147 C11H13NO3 6.4 CC(=O)NC(CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15) CBQJSKKFNMDLON-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00148 C11H11NO3 6.4 C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15) XGILAAMKEQUXLS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) -draft_45277_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) SCNILGOVBBRMBK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00150 C11H13NO2 7.1 COC1=CC2=C(C=C1)NC=C2CCO InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3 QLWKTGDEPLRFAT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) -draft_45277_00151 C8H14O4 7.2 C(CCCC(=O)O)CCC(=O)O InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) TYFQFVWCELRYAO-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) -draft_45277_00152 C13H16N2O2 7.4 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16) DRLFMBDRBRZALE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) -draft_45277_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)CC(CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2 UDQCRUSSQAXPJY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) -draft_45277_00154 C14H6O8 8.3 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H AFSDNFLWKVMVRB-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Tannins (CHEMONTID:0000238) Hydrolyzable tannins (CHEMONTID:0001710) NA (NA) NA (NA) -draft_45277_00155 C9H11NO2 8.4 CCOC(=O)C1=CC=C(C=C1)N InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 BLFLLBZGZJTVJG-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Benzoic acids and derivatives (CHEMONTID:0000176) Benzoic acid esters (CHEMONTID:0001350) NA (NA) -draft_45277_00156 C28H34O15 8.7 CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3 QUQPHWDTPGMPEX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) -draft_45277_00157 C11H11NO2 9.2 C1=CC=C2C(=C1)C(=CN2)CCC(=O)O InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14) GOLXRNDWAUTYKT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) -draft_45277_00158 C16H21NO2 9.2 CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 AQHHHDLHHXJYJD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) -draft_45277_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14) PLVPPLCLBIEYEA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) -draft_45277_00160 C9H16O4 9.3 C(CCCC(=O)O)CCCC(=O)O InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13) BDJRBEYXGGNYIS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) -draft_45277_00161 C17H21NO 9.5 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3 ZZVUWRFHKOJYTH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Diphenylmethanes (CHEMONTID:0000369) NA (NA) NA (NA) -draft_45277_00162 C18H25NO 9.5 CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 MKXZASYAUGDDCJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) -draft_45277_00163 C8H7NO 9.8 C1=CC=C2C(=C1)C(=CN2)O InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H PCKPVGOLPKLUHR-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Hydroxyindoles (CHEMONTID:0004162) NA (NA) NA (NA) -draft_45277_00164 C10H12O3 9.9 COC1=CC=CC(=C1)CCC(=O)O InChI=1S/C10H12O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12) BJJQJLOZWBZEGA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) -draft_45277_00165 C15H10O4 9.9 C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) -draft_45277_00166 C17H19N3O3S 10.3 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) SUBDBMMJDZJVOS-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzimidazoles (CHEMONTID:0000294) Sulfinylbenzimidazoles (CHEMONTID:0001891) NA (NA) NA (NA) -draft_45277_00167 C10H10O3 10.4 COC1=CC=C(C=C1)C=CC(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12) AFDXODALSZRGIH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) -draft_45277_00168 C15H10O6 10.8 C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) NA (NA) NA (NA) -draft_45277_00169 C27H38N2O4 10.8 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 SGTNSNPWRIOYBX-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylbutylamines (CHEMONTID:0000014) NA (NA) NA (NA) -draft_45277_00170 C15H14O5 10.9 C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Linear 1,3-diarylpropanoids (CHEMONTID:0003467) Chalcones and dihydrochalcones (CHEMONTID:0001630) 2'-Hydroxy-dihydrochalcones (CHEMONTID:0003473) NA (NA) -draft_45277_00171 C15H10O5 11 C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Isoflavonoids (CHEMONTID:0002506) Isoflav-2-enes (CHEMONTID:0002901) Isoflavones (CHEMONTID:0000494) NA (NA) -draft_45277_00172 C19H24N2 11.4 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Benzazepines (CHEMONTID:0000293) Dibenzazepines (CHEMONTID:0000320) NA (NA) NA (NA) -draft_45277_00173 C21H30O5 11.4 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3 JYGXADMDTFJGBT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00174 C15H10O6 11.6 C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H IYRMWMYZSQPJKC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavones (CHEMONTID:0001615) Flavonols (CHEMONTID:0001136) NA (NA) -draft_45277_00175 C10H12O2 11.7 CCC(C1=CC=CC=C1)C(=O)O InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12) OFJWFSNDPCAWDK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) -draft_45277_00176 C10H14O 12.5 CC1=CCC(CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3 ULDHMXUKGWMISQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) -draft_45277_00177 C11H20O4 12.6 C(CCCCC(=O)O)CCCCC(=O)O InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15) LWBHHRRTOZQPDM-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) -draft_45277_00178 C21H30O4 12.8 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3 WHBHBVVOGNECLV-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00179 C21H30O3 13.2 CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3 BFZHCUBIASXHPK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) -draft_45277_00180 C14H14O3 13.4 CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) CMWTZPSULFXXJA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) -draft_45277_00181 C19H26O2 13.5 CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3 AEMFNILZOJDQLW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00182 C20H24O2 13.7 CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3 BFPYWIDHMRZLRN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) -draft_45277_00183 C21H30O3 13.9 CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3 ZESRJSPZRDMNHY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00184 C12H22O4 13.9 C(CCCCCC(=O)O)CCCCC(=O)O InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16) TVIDDXQYHWJXFK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Medium-chain fatty acids (CHEMONTID:0003086) NA (NA) -draft_45277_00185 C22H28O3 14 CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3 UJVLDDZCTMKXJK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) -draft_45277_00186 C12H24O3 14.2 C(CCCCCC(=O)O)CCCCCO InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) ZDHCZVWCTKTBRY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) -draft_45277_00187 C19H28O2 14.5 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3 FMGSKLZLMKYGDP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00188 C21H30O3 14.5 CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3 DBPWSSGDRRHUNT-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) -draft_45277_00189 C19H28O2 14.8 CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3 RAJWOBJTTGJROA-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00190 C26H45NO7S 14.9 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34) WBWWGRHZICKQGZ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) -draft_45277_00191 C13H24O4 15 C(CCCCCC(=O)O)CCCCCC(=O)O InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17) DXNCZXXFRKPEPY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acids and conjugates (CHEMONTID:0000262) Long-chain fatty acids (CHEMONTID:0002949) NA (NA) -draft_45277_00192 C26H43NO6 15.6 CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33) RFDAIACWWDREDC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) -draft_45277_00193 C21H28O2 15.6 CC(=O)C1=CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3 VRRHHTISESGZFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) -draft_45277_00194 C13H18O2 16 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Phenylpropanoic acids (CHEMONTID:0002551) NA (NA) NA (NA) NA (NA) -draft_45277_00195 C19H30O2 16.2 CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3 QGXBDMJGAMFCBF-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00196 C22H27NO2 16.2 CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3 POZRVZJJTULAOH-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) -draft_45277_00197 C26H45NO6S 16.3 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33) AWDRATDZQPNJFN-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) -draft_45277_00198 C24H38O4 16.4 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28) DXOCDBGWDZAYRQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) -draft_45277_00199 C12H24O3 16.5 CCCCCCCCCC(CC(=O)O)O InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) MUCMKTPAZLSKTL-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Hydroxy acids and derivatives (CHEMONTID:0000472) Medium-chain hydroxy acids and derivatives (CHEMONTID:0000299) NA (NA) NA (NA) -draft_45277_00200 C34H38N4O6 16.7 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44) KFKRXESVMDBTNQ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) -draft_45277_00201 C36H38N4O8 17 CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CCC(=O)O)C)C(=C4C)CCC(=O)O)C(=C3C)CCC(=O)O)CCC(=O)O InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37-38H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) VCCUOZSDXVZCSK-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) -draft_45277_00202 C18H39NO2 18 CCCCCCCCCCCCCCCC(C(CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 OTKJDMGTUTTYMP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) -draft_45277_00203 C24H40O4 18 CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28) RUDATBOHQWOJDD-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) -draft_45277_00204 C30H46O4 18.9 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34) MPDGHEJMBKOTSU-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) -draft_45277_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00206 C30H50O2 20.2 CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3 XUARCIYIVXVTAE-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) -draft_45277_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22) SHGAZHPCJJPHSC-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 NCYCYZXNIZJOKI-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00209 C34H38N4O4 20.7 CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C InChI=1S/C34H38N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h13-16,35-36H,7-12H2,1-6H3,(H,39,40)(H,41,42) NCAJWYASAWUEBY-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Tetrapyrroles and derivatives (CHEMONTID:0001455) Porphyrins (CHEMONTID:0000212) NA (NA) NA (NA) -draft_45277_00210 C27H44O2 21.7 CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3 YIKKMWSQVKJCOP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) -draft_45277_00211 C27H44O 25 CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3 NYOXRYYXRWJDKP-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv b/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv deleted file mode 100644 index b2c1c1bb3..000000000 --- a/processed_data/draft_45277/draft_45277_rtdata_isomeric_failed.tsv +++ /dev/null @@ -1,98 +0,0 @@ -id name formula rt smiles.std status inchi.std inchikey.std -draft_45277_00001 C4H11NO2 0.6 missing SMILES -draft_45277_00002 C5H9N3 0.6 missing SMILES -draft_45277_00008 C2H7NO2S 0.7 missing SMILES -draft_45277_00009 C4H9NO2 0.7 missing SMILES -draft_45277_00010 C8H12N2O2 0.7 missing SMILES -draft_45277_00015 C7H8N2O 0.7 missing SMILES -draft_45277_00017 C4H9NO2 0.7 missing SMILES -draft_45277_00018 C9H13NO3 0.7 missing SMILES -draft_45277_00019 C5H11N3O2 0.7 missing SMILES -draft_45277_00022 C5H11NO2 0.7 missing SMILES -draft_45277_00025 C3H7NO2 0.7 missing SMILES -draft_45277_00030 C7H12N2O3 0.7 missing SMILES -draft_45277_00034 C5H11NO2 0.7 missing SMILES -draft_45277_00035 C2H7N3 0.7 missing SMILES -draft_45277_00040 C4H9NO2S 0.7 missing SMILES -draft_45277_00042 C7H14N2O4 0.7 missing SMILES -draft_45277_00050 C3H9N 0.7 missing SMILES -draft_45277_00052 C2H7NO3S 0.7 missing SMILES -draft_45277_00055 C3H9NO 0.7 missing SMILES -draft_45277_00056 C10H19N5O7 0.7 missing SMILES -draft_45277_00058 C4H4N2O2 0.7 missing SMILES -draft_45277_00061 C4H6N4O 0.7 missing SMILES -draft_45277_00064 C5H5N5 0.8 missing SMILES -draft_45277_00065 C4H7NO3 0.8 missing SMILES -draft_45277_00067 C6H7N5 0.9 missing SMILES -draft_45277_00068 C7H5NO4 0.9 missing SMILES -draft_45277_00069 C6H5NO2 0.9 missing SMILES -draft_45277_00070 C10H12N2O4 1 missing SMILES -draft_45277_00071 C6H13NO2 1 missing SMILES -draft_45277_00074 C5H11NO2 1 missing SMILES -draft_45277_00075 C8H11NO2 1 missing SMILES -draft_45277_00076 C6H5NO2 1 missing SMILES -draft_45277_00080 C6H13NO2 1.2 missing SMILES -draft_45277_00082 C10H12N5O6P 1.2 missing SMILES -draft_45277_00083 C8H11NO 1.2 missing SMILES -draft_45277_00085 C6H7N5 1.3 missing SMILES -draft_45277_00086 C4H7NO 1.3 missing SMILES -draft_45277_00087 C8H10NO6P 1.3 missing SMILES -draft_45277_00088 C5H4N4 1.3 missing SMILES -draft_45277_00092 C6H5NO3 1.4 missing SMILES -draft_45277_00095 C9H10N2O3 1.6 missing SMILES -draft_45277_00096 C10H12N2O 1.6 missing SMILES -draft_45277_00098 C9H13NO2 1.7 missing SMILES -draft_45277_00100 C9H11NO3 1.7 missing SMILES -draft_45277_00106 C5H9NO 2.1 missing SMILES -draft_45277_00108 C7H8N4O3 2.2 missing SMILES -draft_45277_00109 C4H10O3PS 2.3 missing SMILES -draft_45277_00110 C6H8N2O2 2.3 missing SMILES -draft_45277_00111 C7H9N5 2.4 missing SMILES -draft_45277_00112 C7H10O4 2.5 missing SMILES -draft_45277_00114 C7H8N4O3 2.6 missing SMILES -draft_45277_00118 C5H8O4 2.8 missing SMILES -draft_45277_00120 C14H22N2O3 2.8 missing SMILES -draft_45277_00123 C7H13NO3 3.4 missing SMILES -draft_45277_00125 C10H12N2 3.4 missing SMILES -draft_45277_00126 C6H10O2 3.5 missing SMILES -draft_45277_00127 C7H12O3 3.6 missing SMILES -draft_45277_00128 C7H7NO 3.6 missing SMILES -draft_45277_00129 C8H6O4 3.8 missing SMILES -draft_45277_00131 C9H9NO3 3.9 missing SMILES -draft_45277_00132 C12H14N2O2 4 missing SMILES -draft_45277_00134 C10H7NO2 4.1 missing SMILES -draft_45277_00135 C8H10N4O3 4.1 missing SMILES -draft_45277_00137 C6H10O2 4.3 missing SMILES -draft_45277_00139 C10H11NO3 4.6 missing SMILES -draft_45277_00143 C17H22N2O 5.8 missing SMILES -draft_45277_00144 C12H11N7 5.8 missing SMILES -draft_45277_00148 C11H11NO3 6.4 missing SMILES -draft_45277_00150 C11H13NO2 7.1 missing SMILES -draft_45277_00151 C8H14O4 7.2 missing SMILES -draft_45277_00152 C13H16N2O2 7.4 missing SMILES -draft_45277_00154 C14H6O8 8.3 missing SMILES -draft_45277_00155 C9H11NO2 8.4 missing SMILES -draft_45277_00157 C11H11NO2 9.2 missing SMILES -draft_45277_00158 C16H21NO2 9.2 missing SMILES -draft_45277_00160 C9H16O4 9.3 missing SMILES -draft_45277_00161 C17H21NO 9.5 missing SMILES -draft_45277_00163 C8H7NO 9.8 missing SMILES -draft_45277_00164 C10H12O3 9.9 missing SMILES -draft_45277_00165 C15H10O4 9.9 missing SMILES -draft_45277_00166 C17H19N3O3S 10.3 missing SMILES -draft_45277_00168 C15H10O6 10.8 missing SMILES -draft_45277_00169 C27H38N2O4 10.8 missing SMILES -draft_45277_00170 C15H14O5 10.9 missing SMILES -draft_45277_00171 C15H10O5 11 missing SMILES -draft_45277_00172 C19H24N2 11.4 missing SMILES -draft_45277_00174 C15H10O6 11.6 missing SMILES -draft_45277_00175 C10H12O2 11.7 missing SMILES -draft_45277_00177 C11H20O4 12.6 missing SMILES -draft_45277_00184 C12H22O4 13.9 missing SMILES -draft_45277_00186 C12H24O3 14.2 missing SMILES -draft_45277_00191 C13H24O4 15 missing SMILES -draft_45277_00194 C13H18O2 16 missing SMILES -draft_45277_00199 C12H24O3 16.5 missing SMILES -draft_45277_00200 C34H38N4O6 16.7 missing SMILES -draft_45277_00201 C36H38N4O8 17 missing SMILES -draft_45277_00209 C34H38N4O4 20.7 missing SMILES diff --git a/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv b/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv deleted file mode 100644 index 98a018c30..000000000 --- a/processed_data/draft_45277/draft_45277_rtdata_isomeric_success.tsv +++ /dev/null @@ -1,115 +0,0 @@ -id name formula rt smiles.std inchi.std inchikey.std classyfire.kingdom classyfire.superclass classyfire.class classyfire.subclass classyfire.level5 classyfire.level6 comment -draft_45277_00003 C10H19N3O5 0.6 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C10H19N3O5/c11-4-2-1-3-7(10(17)18)13-9(16)6(12)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 OAMLVOVXNKILLQ-BQBZGAKWSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) Dipeptides (CHEMONTID:0004830) -draft_45277_00004 C6H14N2O3 0.6 C(C[C@@H](C(=O)O)N)[C@H](CN)O InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 YSMODUONRAFBET-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00005 C6H11N3O 0.6 C1=C(NC=N1)C[C@@H](CO)N InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 ZQISRDCJNBUVMM-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) -draft_45277_00006 C5H12N2O2 0.6 C(C[C@@H](C(=O)O)N)CN InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 AHLPHDHHMVZTML-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00007 C6H14N2O2 0.6 C(CCN)C[C@@H](C(=O)O)N InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 KDXKERNSBIXSRK-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00011 C9H17NO4 0.7 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Fatty Acyls (CHEMONTID:0003909) Fatty acid esters (CHEMONTID:0000324) Acyl carnitines (CHEMONTID:0001095) NA (NA) -draft_45277_00012 C4H9NO2 0.7 CC[C@@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 QWCKQJZIFLGMSD-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00013 C6H14NO8P 0.7 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 XHMJOUIAFHJHBW-UKFBFLRUSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) -draft_45277_00014 C7H14N2O4S 0.7 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ILRYLPWNYFXEMH-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00016 C10H14N5O8P 0.7 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 RQFCJASXJCIDSX-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00020 C10H14N5O7P 0.7 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 UDMBCSSLTHHNCD-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00021 C5H11NO2 0.7 CC(C)[C@@H](C(=O)O)N InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 KZSNJWFQEVHDMF-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00023 C11H15N5O4 0.7 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1 GFYLSDSUCHVORB-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00024 C9H14N4O3 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 CQOVPNPJLQNMDC-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Peptidomimetics (CHEMONTID:0001813) Hybrid peptides (CHEMONTID:0002010) NA (NA) NA (NA) -draft_45277_00026 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1 FBPFZTCFMRRESA-JGWLITMVSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00027 C7H11N3O2 0.7 CN1C=C(N=C1)C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 BRMWTNUJHUMWMS-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00028 C3H7NO3 0.7 C([C@@H](C(=O)O)N)O InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 MTCFGRXMJLQNBG-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00029 C5H9NO2 0.7 C1C[C@H](NC1)C(=O)O InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 ONIBWKKTOPOVIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00031 C4H9NO5S 0.7 C(CS(=O)(=O)O)[C@@H](C(=O)O)N InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 VBOQYPQEPHKASR-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00032 C6H9N3O2 0.7 C1=C(NC=N1)C[C@@H](C(=O)O)N InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 HNDVDQJCIGZPNO-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00033 C8H20NO6P 0.7 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1 SUHOQUVVVLNYQR-MRVPVSSYSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Glycerophospholipids (CHEMONTID:0000256) Glycerophosphocholines (CHEMONTID:0002213) NA (NA) NA (NA) -draft_45277_00036 C4H9NO3 0.7 C(CO)[C@@H](C(=O)O)N InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1 UKAUYVFTDYCKQA-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00037 C6H14O6 0.7 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1 FBPFZTCFMRRESA-KVTDHHQDSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00038 C6H14O6 0.7 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- FBPFZTCFMRRESA-GUCUJZIJSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00039 C5H12O5 0.7 C([C@H](C([C@H](CO)O)O)O)O InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar alcohols (CHEMONTID:0002210) NA (NA) -draft_45277_00041 C5H9NO4 0.7 C(CC(=O)O)[C@@H](C(=O)O)N InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 WHUUTDBJXJRKMK-VKHMYHEASA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00043 C6H13O9P 0.7 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1 NBSCHQHZLSJFNQ-QTVWNMPRSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Monosaccharides (CHEMONTID:0001540) Hexoses (CHEMONTID:0001498) -draft_45277_00044 C4H9NO3 0.7 C[C@H]([C@@H](C(=O)O)N)O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 AYFVYJQAPQTCCC-GBXIJSLDSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00045 C8H15NO6 0.7 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-FMDGEEDCSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) -draft_45277_00046 C8H15NO6 0.7 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1 OVRNDRQMDRJTHS-OZRXBMAMSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Aminosaccharides (CHEMONTID:0003305) Amino sugars (CHEMONTID:0001148) removed another duplicate entry -draft_45277_00047 C9H14N3O8P 0.7 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 IERHLVCPSMICTF-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) -draft_45277_00048 C11H19NO9 0.7 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1 SQVRNKJHWKZAKO-LUWBGTNYSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Sugar acids and derivatives (CHEMONTID:0000215) Sugar amino acids and derivatives (CHEMONTID:0001366) -draft_45277_00049 C6H13N3O3 0.7 C(C[C@@H](C(=O)O)N)CNC(=O)N InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 RHGKLRLOHDJJDR-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00051 C7H11N3O2 0.7 CN1C=NC=C1C[C@@H](C(=O)O)N InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 JDHILDINMRGULE-LURJTMIESA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00053 C12H22O11 0.7 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 GUBGYTABKSRVRQ-XLOQQCSPSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Carbohydrates and carbohydrate conjugates (CHEMONTID:0000011) Glycosyl compounds (CHEMONTID:0002105) O-glycosyl compounds (CHEMONTID:0002207) -draft_45277_00054 C4H9NO2 0.7 CC[C@H](C(=O)O)N InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 QWCKQJZIFLGMSD-GSVOUGTGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00057 C9H13N2O9P 0.7 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 DJJCXFVJDGTHFX-XVFCMESISA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine ribonucleotides (CHEMONTID:0002147) Pyrimidine ribonucleoside monophosphates (CHEMONTID:0001620) NA (NA) -draft_45277_00059 C6H6N2O2 0.7 C1=C(NC=N1)/C=C/C(=O)O InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+ LOIYMIARKYCTBW-OWOJBTEDSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Imidazoles (CHEMONTID:0000078) Substituted imidazoles (CHEMONTID:0002310) Imidazolyl carboxylic acids and derivatives (CHEMONTID:0001227) -draft_45277_00060 C9H13N3O4 0.7 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00062 C3H7NO2S 0.7 C([C@@H](C(=O)O)N)S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 XUJNEKJLAYXESH-REOHCLBHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00063 C10H13N4O8P 0.8 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 GRSZFWQUAKGDAV-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine ribonucleotides (CHEMONTID:0001544) Purine ribonucleoside monophosphates (CHEMONTID:0001617) NA (NA) -draft_45277_00066 C10H17N3O6S 0.8 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 RWSXRVCMGQZWBV-WDSKDSINSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) -draft_45277_00072 C10H14N5O7P 1 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 LTFMZDNNPPEQNG-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Purine deoxyribonucleotides (CHEMONTID:0002134) Purine deoxyribonucleoside monophosphates (CHEMONTID:0002135) Purine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002141) -draft_45277_00073 C9H11NO3 1 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 OUYCCCASQSFEME-QMMMGPOBSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00077 C9H13NO2 1 CNC[C@@H](C1=CC(=CC=C1)O)O InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1 SONNWYBIRXJNDC-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Phenols (CHEMONTID:0000134) 1-hydroxy-4-unsubstituted benzenoids (CHEMONTID:0004647) NA (NA) NA (NA) -draft_45277_00078 C10H15N2O8P 1.1 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleotides (CHEMONTID:0001509) Pyrimidine deoxyribonucleotides (CHEMONTID:0002148) Pyrimidine deoxyribonucleoside monophosphates (CHEMONTID:0002151) Pyrimidine 2'-deoxyribonucleoside monophosphates (CHEMONTID:0002158) -draft_45277_00079 C6H13NO2 1.1 CC[C@@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 AGPKZVBTJJNPAG-UHNVWZDZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00081 C6H13NO2 1.2 CC[C@H](C)[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 AGPKZVBTJJNPAG-WHFBIAKZSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00084 C6H13NO2 1.3 CC(C)C[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1 ROHFNLRQFUQHCH-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00089 C9H12N2O5 1.3 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1 MXHRCPNRJAMMIM-SHYZEUOFSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00090 C6H13NO2 1.4 CCCC[C@@H](C(=O)O)N InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 LRQKBLKVPFOOQJ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00091 C5H9NO3S 1.4 CC(=O)N[C@@H](CS)C(=O)O InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 PWKSKIMOESPYIA-BYPYZUCNSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00093 C10H13N5O5 1.5 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 NYHBQMYGNKIUIF-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00094 C10H12N4O5 1.5 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 UGQMRVRMYYASKQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00097 C10H12N2O 1.6 CN1[C@@H](CCC1=O)C2=CN=CC=C2 InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 UIKROCXWUNQSPJ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pyridines and derivatives (CHEMONTID:0000089) Pyrrolidinylpyridines (CHEMONTID:0001975) NA (NA) NA (NA) -draft_45277_00099 C10H12N4O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 VGONTNSXDCQUGY-RRKCRQDMSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) -draft_45277_00101 C10H13N5O4 1.7 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1 YKBGVTZYEHREMT-KVQBGUIXSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) Purine 2'-deoxyribonucleosides (CHEMONTID:0002177) NA (NA) NA (NA) -draft_45277_00102 C10H12N5O6P 1.8 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 IVOMOUWHDPKRLL-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleotides (CHEMONTID:0001506) Cyclic purine nucleotides (CHEMONTID:0001491) 3',5'-cyclic purine nucleotides (CHEMONTID:0001502) NA (NA) -draft_45277_00103 C10H13N5O4 1.8 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00104 C10H12N4O6 1.9 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1 UBORTCNDUKBEOP-UUOKFMHZSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00105 C12H13N5O3 2 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)CO)O InChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9+/m0/s1 XQQIMTUYVDUWKJ-DJLDLDEBSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Imidazopyrimidines (CHEMONTID:0001797) Purines and purine derivatives (CHEMONTID:0000245) NA (NA) NA (NA) removed another duplicate entry -draft_45277_00107 C10H14N2O5 2.2 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Pyrimidine nucleosides (CHEMONTID:0000480) Pyrimidine 2'-deoxyribonucleosides (CHEMONTID:0002180) NA (NA) NA (NA) -draft_45277_00113 C9H13NO 2.6 C[C@H]([C@H](C1=CC=CC=C1)O)N InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m1/s1 DLNKOYKMWOXYQA-VXNVDRBHSA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Benzene and substituted derivatives (CHEMONTID:0002279) Phenylpropanes (CHEMONTID:0002811) NA (NA) NA (NA) -draft_45277_00115 C6H11NO3S 2.6 CSCC[C@@H](C(=O)O)NC=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 PYUSHNKNPOHWEZ-YFKPBYRVSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00116 C9H17NO5 2.7 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1 GHOKWGTUZJEAQD-ZETCQYMHSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Secondary alcohols (CHEMONTID:0001661) NA (NA) -draft_45277_00117 C8H15N7O2S3 2.7 C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Azoles (CHEMONTID:0000436) Thiazoles (CHEMONTID:0000095) 2,4-disubstituted thiazoles (CHEMONTID:0002634) NA (NA) -draft_45277_00119 C13H22N4O3S 2.8 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ VMXUWOKSQNHOCA-UKTHLTGXSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Aralkylamines (CHEMONTID:0003899) NA (NA) -draft_45277_00121 C11H12N2O2 3 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 QIVBCDIJIAJPQS-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indolyl carboxylic acids and derivatives (CHEMONTID:0001290) NA (NA) NA (NA) -draft_45277_00122 C16H28N4O4S 3.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1 BAQMYDQNMFBZNA-MNXVOIDGSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00124 C13H16N2O5 3.4 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1 YZQCXOFQZKCETR-UWVGGRQHSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) -draft_45277_00130 C12H14N2O3 3.8 COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1 KVNPSKDDJARYKK-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Tryptamines and derivatives (CHEMONTID:0000183) Serotonins (CHEMONTID:0001637) NA (NA) -draft_45277_00133 C16H18O9 4 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N Organic compounds (CHEMONTID:0000000) Organic oxygen compounds (CHEMONTID:0004603) Organooxygen compounds (CHEMONTID:0000323) Alcohols and polyols (CHEMONTID:0000129) Cyclic alcohols and derivatives (CHEMONTID:0001292) Cyclitols and derivatives (CHEMONTID:0002509) -draft_45277_00136 C11H15N5O3S 4.3 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 WUUGFSXJNOTRMR-IOSLPCCCSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) 5'-deoxyribonucleosides (CHEMONTID:0004502) 5'-deoxy-5'-thionucleosides (CHEMONTID:0004503) NA (NA) NA (NA) -draft_45277_00138 C9H8O4 4.5 C1=CC(=C(C=C1/C=C/C(=O)O)O)O InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ QAIPRVGONGVQAS-DUXPYHPUSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Hydroxycinnamic acids and derivatives (CHEMONTID:0001391) Hydroxycinnamic acids (CHEMONTID:0002503) NA (NA) -draft_45277_00140 C15H14O6 5.2 C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 PFTAWBLQPZVEMU-UKRRQHHQSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavans (CHEMONTID:0000337) Flavan-3-ols (CHEMONTID:0003012) Catechins (CHEMONTID:0001584) -draft_45277_00141 C10H16N2O3S 5.3 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Biotin and derivatives (CHEMONTID:0000244) NA (NA) NA (NA) NA (NA) -draft_45277_00142 C17H21N4O9P 5.3 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 FVTCRASFADXXNN-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Flavin nucleotides (CHEMONTID:0001329) NA (NA) NA (NA) NA (NA) -draft_45277_00145 C14H18N2O5 5.9 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1 IAOZJIPTCAWIRG-QWRGUYRKSA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Peptides (CHEMONTID:0000348) NA (NA) -draft_45277_00146 C17H20N4O6 6.2 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Pteridines and derivatives (CHEMONTID:0000109) Alloxazines and isoalloxazines (CHEMONTID:0000384) Flavins (CHEMONTID:0001249) NA (NA) -draft_45277_00147 C11H13NO3 6.4 CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 CBQJSKKFNMDLON-JTQLQIEISA-N Organic compounds (CHEMONTID:0000000) Organic acids and derivatives (CHEMONTID:0000264) Carboxylic acids and derivatives (CHEMONTID:0000265) Amino acids, peptides, and analogues (CHEMONTID:0000013) Amino acids and derivatives (CHEMONTID:0000347) Alpha amino acids and derivatives (CHEMONTID:0000060) -draft_45277_00149 C16H18N6O4 6.7 C1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1 SCNILGOVBBRMBK-SDBHATRESA-N Organic compounds (CHEMONTID:0000000) Nucleosides, nucleotides, and analogues (CHEMONTID:0000289) Purine nucleosides (CHEMONTID:0000479) NA (NA) NA (NA) NA (NA) -draft_45277_00153 C11H14N2O 7.4 C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1 UDQCRUSSQAXPJY-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) 3-alkylindoles (CHEMONTID:0004196) NA (NA) -draft_45277_00156 C28H34O15 8.7 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 QUQPHWDTPGMPEX-QJBIFVCTSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Flavonoids (CHEMONTID:0000334) Flavonoid glycosides (CHEMONTID:0001111) Flavonoid O-glycosides (CHEMONTID:0001583) Flavonoid-7-O-glycosides (CHEMONTID:0003533) -draft_45277_00159 C11H9NO2 9.3 C1=CC=C2C(=C1)C(=CN2)/C=C/C(=O)O InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ PLVPPLCLBIEYEA-AATRIKPKSA-N Organic compounds (CHEMONTID:0000000) Organoheterocyclic compounds (CHEMONTID:0000002) Indoles and derivatives (CHEMONTID:0000211) Indoles (CHEMONTID:0002497) NA (NA) NA (NA) -draft_45277_00162 C18H25NO 9.5 CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1 MKXZASYAUGDDCJ-NJAFHUGGSA-N Organic compounds (CHEMONTID:0000000) Alkaloids and derivatives (CHEMONTID:0000279) Morphinans (CHEMONTID:0000058) NA (NA) NA (NA) NA (NA) -draft_45277_00167 C10H10O3 10.4 COC1=CC=C(C=C1)/C=C/C(=O)O InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+ AFDXODALSZRGIH-QPJJXVBHSA-N Organic compounds (CHEMONTID:0000000) Phenylpropanoids and polyketides (CHEMONTID:0000261) Cinnamic acids and derivatives (CHEMONTID:0000476) Cinnamic acids (CHEMONTID:0002504) NA (NA) NA (NA) -draft_45277_00173 C21H30O5 11.4 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 JYGXADMDTFJGBT-VWUMJDOOSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00176 C10H14O 12.5 CC1=CC[C@@H](CC1=O)C(=C)C InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1 ULDHMXUKGWMISQ-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Monoterpenoids (CHEMONTID:0001549) Menthane monoterpenoids (CHEMONTID:0001401) NA (NA) -draft_45277_00178 C21H30O4 12.8 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 WHBHBVVOGNECLV-OBQKJFGGSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00179 C21H30O3 13.2 CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1 BFZHCUBIASXHPK-ODYOLWGQSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) -draft_45277_00180 C14H14O3 13.4 C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 CMWTZPSULFXXJA-VIFPVBQESA-N Organic compounds (CHEMONTID:0000000) Benzenoids (CHEMONTID:0002448) Naphthalenes (CHEMONTID:0000023) NA (NA) NA (NA) NA (NA) -draft_45277_00181 C19H26O2 13.5 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 AEMFNILZOJDQLW-QAGGRKNESA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00182 C20H24O2 13.7 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 BFPYWIDHMRZLRN-SLHNCBLASA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) Estrogens and derivatives (CHEMONTID:0003570) NA (NA) -draft_45277_00183 C21H30O3 13.9 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 ZESRJSPZRDMNHY-YFWFAHHUSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Hydroxysteroids (CHEMONTID:0001295) 21-hydroxysteroids (CHEMONTID:0003095) NA (NA) -draft_45277_00185 C22H28O3 14 C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 UJVLDDZCTMKXJK-WNHSNXHDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Steroid lactones (CHEMONTID:0001125) NA (NA) NA (NA) -draft_45277_00187 C19H28O2 14.5 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1 FMGSKLZLMKYGDP-USOAJAOKSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00188 C21H30O3 14.5 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 DBPWSSGDRRHUNT-CEGNMAFCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Pregnane steroids (CHEMONTID:0003569) Gluco/mineralocorticoids, progestogins and derivatives (CHEMONTID:0001468) NA (NA) -draft_45277_00189 C19H28O2 14.8 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1 RAJWOBJTTGJROA-WZNAKSSCSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00190 C26H45NO7S 14.9 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 WBWWGRHZICKQGZ-HZAMXZRMSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Trihydroxy bile acids, alcohols and derivatives (CHEMONTID:0001104) -draft_45277_00192 C26H43NO6 15.6 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 RFDAIACWWDREDC-FRVQLJSFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Glycinated bile acids and derivatives (CHEMONTID:0001124) NA (NA) -draft_45277_00193 C21H28O2 15.6 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 VRRHHTISESGZFN-RKFFNLMFSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Oxosteroids (CHEMONTID:0001194) 20-oxosteroids (CHEMONTID:0003058) NA (NA) -draft_45277_00195 C19H30O2 16.2 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1 QGXBDMJGAMFCBF-HLUDHZFRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Androstane steroids (CHEMONTID:0003568) Androgens and derivatives (CHEMONTID:0001467) NA (NA) -draft_45277_00196 C22H27NO2 16.2 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5 InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 POZRVZJJTULAOH-LHZXLZLDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Estrane steroids (CHEMONTID:0001466) NA (NA) NA (NA) -draft_45277_00197 C26H45NO6S 16.3 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1 AWDRATDZQPNJFN-VAYUFCLWSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Taurinated bile acids and derivatives (CHEMONTID:0001159) NA (NA) -draft_45277_00198 C24H38O4 16.4 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1 DXOCDBGWDZAYRQ-AURDAFMXSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Monohydroxy bile acids, alcohols and derivatives (CHEMONTID:0000260) -draft_45277_00202 C18H39NO2 18 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 OTKJDMGTUTTYMP-ZWKOTPCHSA-N Organic compounds (CHEMONTID:0000000) Organic nitrogen compounds (CHEMONTID:0004707) Organonitrogen compounds (CHEMONTID:0000278) Amines (CHEMONTID:0002449) Alkanolamines (CHEMONTID:0002460) 1,2-aminoalcohols (CHEMONTID:0001897) -draft_45277_00203 C24H40O4 18 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Bile acids, alcohols and derivatives (CHEMONTID:0001445) Hydroxy bile acids, alcohols and derivatives (CHEMONTID:0002194) Dihydroxy bile acids, alcohols and derivatives (CHEMONTID:0000516) -draft_45277_00204 C30H46O4 18.9 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 MPDGHEJMBKOTSU-YKLVYJNSSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) -draft_45277_00205 C20H28O2 20 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14- SHGAZHPCJJPHSC-XFYACQKRSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00206 C30H50O2 20.2 C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 XUARCIYIVXVTAE-ZAPOICBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Triterpenoids (CHEMONTID:0001553) NA (NA) NA (NA) -draft_45277_00207 C20H28O2 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ SHGAZHPCJJPHSC-YCNIQYBTSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00208 C20H28O 20.3 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ NCYCYZXNIZJOKI-OVSJKPMPSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Prenol lipids (CHEMONTID:0000259) Retinoids (CHEMONTID:0001606) NA (NA) NA (NA) -draft_45277_00210 C27H44O2 21.7 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1 YIKKMWSQVKJCOP-ABXCMAEBSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) -draft_45277_00211 C27H44O 25 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 NYOXRYYXRWJDKP-GYKMGIIDSA-N Organic compounds (CHEMONTID:0000000) Lipids and lipid-like molecules (CHEMONTID:0000012) Steroids and steroid derivatives (CHEMONTID:0000258) Cholestane steroids (CHEMONTID:0003566) Cholesterols and derivatives (CHEMONTID:0001469) NA (NA) diff --git a/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv b/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv deleted file mode 100644 index 6ac594a92..000000000 --- a/processed_data/draft_45277/draft_45277_validation_qspr_outliers.tsv +++ /dev/null @@ -1,7 +0,0 @@ -id error -draft_45277_00109 5.897337793212231 -draft_45277_00140 5.756892635508652 -draft_45277_00143 4.203242360785684 -draft_45277_00155 4.57998427104475 -draft_45277_00169 4.839764805895033 -draft_45277_00211 4.890107896617881 diff --git a/processed_data/studies.tsv b/processed_data/studies.tsv index c384d7822..109b7f7f0 100644 --- a/processed_data/studies.tsv +++ b/processed_data/studies.tsv @@ -428,4 +428,4 @@ id name url pmid source method.type comment missing information authors mail 0430 ROASMI_5 10.1016/j.foodchem.2012.08.062 Publication - De Paepe RP Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels 0431 ROASMI_08 10.1021/acs.analchem.9b05135 Jian Guo, Tao Huan 0432 ROASMI_65 10.1016/j.jchromb.2017.07.016. Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +0433 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner diff --git a/raw_data/draft_45277/draft_45277_gradient.tsv b/raw_data/0433/0433_gradient.tsv similarity index 100% rename from raw_data/draft_45277/draft_45277_gradient.tsv rename to raw_data/0433/0433_gradient.tsv diff --git a/raw_data/0433/0433_info.tsv b/raw_data/0433/0433_info.tsv new file mode 100644 index 000000000..a46235d2a --- /dev/null +++ b/raw_data/0433/0433_info.tsv @@ -0,0 +1,2 @@ +id authors name url comment +0433 Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun diff --git a/raw_data/draft_45277/draft_45277_metadata.tsv b/raw_data/0433/0433_metadata.tsv similarity index 90% rename from raw_data/draft_45277/draft_45277_metadata.tsv rename to raw_data/0433/0433_metadata.tsv index fffb76284..919027e63 100644 --- a/raw_data/draft_45277/draft_45277_metadata.tsv +++ b/raw_data/0433/0433_metadata.tsv @@ -1,2 +1,2 @@ id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.A.heptafluorobutyric eluent.A.heptafluorobutyric.unit eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.B.heptafluorobutyric eluent.B.heptafluorobutyric.unit eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.C.heptafluorobutyric eluent.C.heptafluorobutyric.unit eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH eluent.D.heptafluorobutyric eluent.D.heptafluorobutyric.unit gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D eluent.A.h2o.unit eluent.A.meoh.unit eluent.B.h2o.unit eluent.B.meoh.unit -draft_45277 Merck Supelco Ascentis Express C18 L1 100.0 2.1 2.7 40.0 0.3 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 5.0 95.0 0 0 % % % % +0433 Merck Supelco Ascentis Express C18 L1 100.0 2.1 2.7 40.0 0.3 100 0 0 0 0 0 0 0 0 0.0 0 0 0 0 5 mM 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0.0 0 0 0 0 0 mM 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 95.0 5.0 0 0 5.0 95.0 0 0 % % % % diff --git a/raw_data/draft_45277/draft_45277_metadata.yaml b/raw_data/0433/0433_metadata.yaml similarity index 96% rename from raw_data/draft_45277/draft_45277_metadata.yaml rename to raw_data/0433/0433_metadata.yaml index 961bbd11a..1e9313565 100644 --- a/raw_data/draft_45277/draft_45277_metadata.yaml +++ b/raw_data/0433/0433_metadata.yaml @@ -27,4 +27,4 @@ eluent: nh4form: value: 0 unit: mM -id: draft_45277 +id: '0433' diff --git a/raw_data/0433/0433_rtdata.tsv b/raw_data/0433/0433_rtdata.tsv new file mode 100644 index 000000000..eddf5e8c3 --- /dev/null +++ b/raw_data/0433/0433_rtdata.tsv @@ -0,0 +1,212 @@ +id name formula rt pubchem.cid pubchem.smiles.isomeric pubchem.smiles.canonical pubchem.inchi pubchem.inchikey id.chebi id.hmdb id.lipidmaps id.kegg comment +0433_00001 0.6 8113 C(CO)NCCO +0433_00002 0.6 774 C1=C(NC=N1)CCN +0433_00003 0.6 6427003 C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N +0433_00004 0.6 3032849 C(C[C@@H](C(=O)O)N)[C@H](CN)O +0433_00005 0.6 165271 C1=C(NC=N1)C[C@@H](CO)N +0433_00006 0.6 6262 C(C[C@@H](C(=O)O)N)CN +0433_00007 0.6 5962 C(CCN)C[C@@H](C(=O)O)N +0433_00008 0.7 107812 C(CS(=O)O)N +0433_00009 0.7 119 C(CC(=O)O)CN +0433_00010 0.7 1052 CC1=NC=C(C(=C1O)CN)CO +0433_00011 0.7 7045767 CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C +0433_00012 0.7 80283 CC[C@@H](C(=O)O)N +0433_00013 0.7 439217 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O +0433_00014 0.7 439258 C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N +0433_00015 0.7 64950 CNC(=O)C1=CN=CC=C1 +0433_00016 0.7 135398631 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N +0433_00017 0.7 673 CN(C)CC(=O)O +0433_00018 0.7 1237 COC1=C(C=CC(=C1)C(CN)O)O +0433_00019 0.7 500 C(CC(=O)O)CN=C(N)N +0433_00020 0.7 6083 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N +0433_00021 0.7 6287 CC(C)[C@@H](C(=O)O)N +0433_00022 0.7 138 C(CCN)CC(=O)O +0433_00023 0.7 27476 CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O +0433_00024 0.7 439224 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN +0433_00025 0.7 1088 CNCC(=O)O +0433_00026 0.7 5780 C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O +0433_00027 0.7 92105 CN1C=C(N=C1)C[C@@H](C(=O)O)N +0433_00028 0.7 5951 C([C@@H](C(=O)O)N)O +0433_00029 0.7 145742 C1C[C@H](NC1)C(=O)O +0433_00030 0.7 79101 C1CC(N(C1)C(=O)CN)C(=O)O +0433_00031 0.7 177491 C(CS(=O)(=O)O)[C@@H](C(=O)O)N +0433_00032 0.7 6274 C1=C(NC=N1)C[C@@H](C(=O)O)N +0433_00033 0.7 657272 C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O +0433_00034 0.7 247 C[N+](C)(C)CC(=O)[O-] +0433_00035 0.7 10111 CN=C(N)N +0433_00036 0.7 12647 C(CO)[C@@H](C(=O)O)N +0433_00037 0.7 6251 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O +0433_00038 0.7 11850 C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O +0433_00039 0.7 6912 C([C@H](C([C@H](CO)O)O)O)O +0433_00040 0.7 225710 CSCC(C(=O)O)N +0433_00041 0.7 33032 C(CC(=O)O)[C@@H](C(=O)O)N +0433_00042 0.7 865 C(CC(C(=O)O)N)CC(C(=O)O)N +0433_00043 0.7 65127 C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O +0433_00044 0.7 6288 C[C@H]([C@@H](C(=O)O)N)O +0433_00045 0.7 24139 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O +0433_00046 0.7 11096158 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O removed another duplicate entry +0433_00047 0.7 6131 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O +0433_00048 0.7 439197 CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O +0433_00049 0.7 9750 C(C[C@@H](C(=O)O)N)CNC(=O)N +0433_00050 0.7 1146 CN(C)C +0433_00051 0.7 64969 CN1C=NC=C1C[C@@H](C(=O)O)N +0433_00052 0.7 1123 C(CS(=O)(=O)O)N +0433_00053 0.7 84571 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O +0433_00054 0.7 439691 CC[C@H](C(=O)O)N +0433_00055 0.7 1145 C[N+](C)(C)[O-] +0433_00056 0.7 20846485 CN(C)C(=N)N=C(N)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O +0433_00057 0.7 6030 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O +0433_00058 0.7 1174 C1=CNC(=O)NC1=O +0433_00059 0.7 736715 C1=C(NC=N1)/C=C/C(=O)O +0433_00060 0.7 13711 C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O +0433_00061 0.7 135408763 C1=C(N=C(NC1=O)N)N +0433_00062 0.7 5862 C([C@@H](C(=O)O)N)S +0433_00063 0.8 135398640 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O +0433_00064 0.8 190 C1=NC2=NC=NC(=C2N1)N +0433_00065 0.8 10972 CC(=O)NCC(=O)O +0433_00066 0.8 124886 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N +0433_00067 0.9 135398661 CN1C=NC(=N)C2=C1N=CN2 +0433_00068 0.9 1066 C1=CC(=C(N=C1)C(=O)O)C(=O)O +0433_00069 0.9 1018 C1=CC=NC(=C1)C(=O)O +0433_00070 1.0 89 C1=CC(=C(C(=C1)O)N)C(=O)CC(C(=O)O)N +0433_00071 1.0 564 C(CCC(=O)O)CCN +0433_00072 1.0 135398597 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O +0433_00073 1.0 6057 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O +0433_00074 1.0 75725 CC(C)(C(=O)O)NC +0433_00075 1.0 681 C1=CC(=C(C=C1CCN)O)O +0433_00076 1.0 938 C1=CC(=CN=C1)C(=O)O +0433_00077 1.0 6041 CNC[C@@H](C1=CC(=CC=C1)O)O +0433_00078 1.1 9700 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O +0433_00079 1.1 99288 CC[C@@H](C)[C@@H](C(=O)O)N +0433_00080 1.2 193411 CC(C)C(CC(=O)O)N +0433_00081 1.2 6306 CC[C@H](C)[C@@H](C(=O)O)N +0433_00082 1.2 2024 C1=NC(=C2C(=N1)N(C=N2)C3C4C(C(O3)CO)OP(=O)(O4)O)N +0433_00083 1.2 5610 C1=CC(=CC=C1CCN)O +0433_00084 1.3 6106 CC(C)C[C@@H](C(=O)O)N +0433_00085 1.3 67955 CNC1=NC=NC2=C1NC=N2 +0433_00086 1.3 12025 C1CC(=O)NC1 +0433_00087 1.3 1051 CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O +0433_00088 1.3 1044 C1=C2C(=NC=N1)N=CN2 +0433_00089 1.3 13712 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O +0433_00090 1.4 21236 CCCC[C@@H](C(=O)O)N +0433_00091 1.4 12035 CC(=O)N[C@@H](CS)C(=O)O +0433_00092 1.4 72924 C1=CC(=O)NC=C1C(=O)O +0433_00093 1.5 135398635 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N +0433_00094 1.5 135398641 C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O +0433_00095 1.6 2148 C1=CC(=CC=C1C(=O)NCC(=O)O)N +0433_00096 1.6 5202 C1=CC2=C(C=C1O)C(=CN2)CCN +0433_00097 1.6 854019 CN1[C@@H](CCC1=O)C2=CN=CC=C2 +0433_00098 1.7 1669 COC1=C(C=CC(=C1)CCN)O +0433_00099 1.7 135398593 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O +0433_00100 1.7 91482 C1=CC=C(C(=C1)CC(C(=O)O)N)O +0433_00101 1.7 135398592 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O +0433_00102 1.8 6076 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O +0433_00103 1.8 60961 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N +0433_00104 1.9 64959 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O +0433_00105 2.0 10945668 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)CO)O removed another duplicate entry +0433_00106 2.1 12665 C1CCNC(=O)C1 +0433_00107 2.2 5789 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O +0433_00108 2.2 108712 CN1C2=C(C(=O)N(C(=O)N2)C)NC1=O +0433_00109 2.3 3683036 CCOP(=S)([O-])OCC +0433_00110 2.3 70122 CN1C=CC(=O)N(C1=O)C +0433_00111 2.4 3134 CN(C)C1=NC=NC2=C1NC=N2 +0433_00112 2.5 5312 CC(=O)CC(=O)CCC(=O)O +0433_00113 2.6 26934 C[C@H]([C@H](C1=CC=CC=C1)O)N +0433_00114 2.6 70346 CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 +0433_00115 2.6 439750 CSCC[C@@H](C(=O)O)NC=O +0433_00116 2.7 6613 CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O +0433_00117 2.7 5702160 C1=C(N=C(S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N +0433_00118 2.8 70615 CCOC(=O)CC(=O)O +0433_00119 2.8 3001055 CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C +0433_00120 2.8 2249 CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O +0433_00121 3.0 6305 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N +0433_00122 3.3 83814 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 +0433_00123 3.4 546304 CC(C)CC(=O)NCC(=O)O +0433_00124 3.4 93078 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N +0433_00125 3.4 1150 C1=CC=C2C(=C1)C(=CN2)CCN +0433_00126 3.5 13204 CC1CCCC(=O)O1 +0433_00127 3.6 151138 C1CC(CCC1C(=O)O)O +0433_00128 3.6 2331 C1=CC=C(C=C1)C(=O)N +0433_00129 3.8 1017 C1=CC=C(C(=C1)C(=O)O)C(=O)O +0433_00130 3.8 151018 COC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)O)N +0433_00131 3.9 464 C1=CC=C(C=C1)C(=O)NCC(=O)O +0433_00132 4.0 903 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O +0433_00133 4.0 1794427 C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O +0433_00134 4.1 7124 C1=CC=C2C(=C1)C=CC(=N2)C(=O)O +0433_00135 4.1 79437 CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C +0433_00136 4.3 439176 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Submitted by Fangyuan Sun D. De Paepe, K. Servaes, B. Noten, L. Diels, M. De Loose, B. Van Droogenbroeck, S. Voorspoels 0431 ROASMI_08 10.1021/acs.analchem.9b05135 Jian Guo, Tao Huan 0432 ROASMI_65 10.1016/j.jchromb.2017.07.016. Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner -draft_45277 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner +0433 ROASMI_66 10.1016/j.jchromb.2017.07.016. mobile phase A was 5 mM ammonium formate in water with an adjusted pH of 3.0 by the addition of formic acid., Submitted by Fangyuan Sun Tobias Bruderer , Emmanuel Varesio , Gérard Hopfgartner