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37 changes: 37 additions & 0 deletions
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processed_data/0431/0431_descriptors_canonical_success.tsv
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processed_data/0431/0431_fingerprints_ecfp6_canonical_success.tsv
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0431_00036 153,326,626,666,700,718,833,916,919,932,948 |
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processed_data/0431/0431_fingerprints_ecfp6_isomeric_success.tsv
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37 changes: 37 additions & 0 deletions
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processed_data/0431/0431_fingerprints_maccs_canonical_success.tsv
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0431_00034 37,38,43,65,77,80,84,97,98,106,110,113,117,120,121,127,131,133,135,137,142,143,151,154,156,158,161,162,163,164,165 | ||
0431_00035 53,54,66,72,89,90,91,104,112,116,123,131,132,136,139,140,146,152,154,155,157,159,160,164 | ||
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processed_data/0431/0431_fingerprints_maccs_isomeric_success.tsv
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0431_00003 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 | ||
0431_00006 38,49,54,57,61,62,65,72,75,77,79,80,83,84,85,86,88,89,90,91,92,93,95,96,97,98,104,105,110,111,115,116,117,120,121,122,123,127,129,131,132,133,135,137,138,139,140,142,143,146,147,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 | ||
0431_00007 54,84,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,142,146,147,151,154,155,156,157,158,159,160,161,164 | ||
0431_00008 54,90,91,92,95,104,108,110,111,117,123,131,132,136,139,140,146,147,151,154,155,156,157,158,159,160,161,164 | ||
0431_00010 30,49,74,85,86,89,93,95,100,108,112,114,115,122,123,126,128,132,136,140,141,146,147,148,149,152,153,154,155,157,158,159,160,161,164 | ||
0431_00012 54,86,88,90,91,92,93,95,104,108,110,111,115,116,117,123,131,136,139,146,147,149,151,153,154,155,156,157,158,159,160,161,164 | ||
0431_00013 25,43,53,54,77,78,84,90,91,95,97,100,104,106,111,118,119,123,131,132,136,139,140,142,146,147,151,153,154,155,156,157,158,159,161,164 | ||
0431_00017 29,37,48,53,54,57,62,65,69,72,75,77,80,82,83,85,89,90,91,92,95,96,97,98,102,106,109,110,112,113,117,120,121,122,123,124,126,127,130,131,132,133,136,137,138,139,140,142,143,144,145,146,148,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165 | ||
0431_00018 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 | ||
0431_00020 30,49,74,85,86,89,93,95,100,108,112,115,122,123,126,128,132,136,140,141,146,148,149,152,153,154,155,157,158,159,160,161,164 | ||
0431_00023 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 | ||
0431_00026 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 | ||
0431_00028 54,84,90,91,95,97,104,111,123,131,132,133,135,136,139,142,144,146,150,151,152,154,155,156,157,158,159,161,162,163,164,165 | ||
0431_00030 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 | ||
0431_00031 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 | ||
0431_00032 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 | ||
0431_00033 65,77,79,83,96,99,120,121,123,131,137,139,142,151,154,156,157,159,161,162,164,165 |
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