assay_uid stringlengths 9 15 | positive_smiles stringlengths 2 615 | positive_smiles_hash stringlengths 64 64 | negative_smiles listlengths 7 7 | negative_smiles_hashes listlengths 7 7 | example_weight float32 1 1.71 |
|---|---|---|---|---|---|
chembl:1537418 | COc1c(F)cc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1F | 097f49d5f77c886f951df921d53213d95cbb6b596a788e3608a5da31e41eceb0 | [
"O=C(NCC1CCC(O)CC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1",
"CC(=O)c1coc(CNC(=O)C2C(C(=O)NCC(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2cnc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCC(N)=... | [
"6a6bbdf4b8954d7d71dc319a1b74cedd97c3b34cfec8400ec53d4376aee571c9",
"bbabed0ab84996f76981d78c99a4b3cc1f7580513898215e1bacca5822f43334",
"69cd377f22fce8d0cc6f45e7b9226a782394a3cb870ec99016ef5c5dbc7d245a",
"2777792bea159fb0ad363bbba900572cafa1b674bc3f5714c3f39920aed60952",
"b15ae7184f52e53f1a8a6403832a773a58e... | 1.647333 |
chembl:1537418 | COc1c(F)cc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1F | 097f49d5f77c886f951df921d53213d95cbb6b596a788e3608a5da31e41eceb0 | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1"... | [
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c144957559f96eb8c9c4079905409b",
"c2fbb0653fe39a06531125dda44504d0ae19e1f6cb60b19165531be46bf5e816",
"7c61d82c3db1af14329994590a7176a59da... | 1.647333 |
chembl:1537418 | Cc1nc(CCNC(=O)C2C(C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)[nH]c1C | 4f88eb6e30894dd7533b1a7d87e9a3ebaa9d8cc1766af14b568197e1c44dbdce | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1"... | [
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c144957559f96eb8c9c4079905409b",
"c2fbb0653fe39a06531125dda44504d0ae19e1f6cb60b19165531be46bf5e816",
"7c61d82c3db1af14329994590a7176a59da... | 1.647333 |
chembl:1537418 | Cc1nc(CCNC(=O)C2C(C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)[nH]c1C | 4f88eb6e30894dd7533b1a7d87e9a3ebaa9d8cc1766af14b568197e1c44dbdce | [
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(C)(CO)NC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"... | [
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c675198a351d477126e92f826964749c",
"515d659ced17edf2d70e943aea2592a8c92d4e80b539cd90ccc7ac9a689dba3a",
"26c885c3273322757dee73e1f6eaceaec91... | 1.647333 |
chembl:1537418 | CN1CCN(CCCNC(=O)C2C(C(=O)Nc3ccc(Br)cc3)[C@@H]3CC[C@H]2C32CC2)CC1 | a6333494bb8d6701a2928a4074b6cdad440890ea3cac546926cd2f0a9923ed39 | [
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(C)(CO)NC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"... | [
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c675198a351d477126e92f826964749c",
"515d659ced17edf2d70e943aea2592a8c92d4e80b539cd90ccc7ac9a689dba3a",
"26c885c3273322757dee73e1f6eaceaec91... | 1.646667 |
chembl:1537418 | CN1CCN(CCCNC(=O)C2C(C(=O)Nc3ccc(Br)cc3)[C@@H]3CC[C@H]2C32CC2)CC1 | a6333494bb8d6701a2928a4074b6cdad440890ea3cac546926cd2f0a9923ed39 | [
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@H]2C32CC2)n1",
"COCCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"NCC1CCN(C(=O)C2C(C(=O)Nc3ncc(Br)s3)[C@@H]3C=C[C... | [
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c1d1370b4a2b9226909d66f23b6923",
"0853b44e0cf266bb6973cbf5f2ab15b4f101d1c4ad9fc2271f49923e48048358",
"3bf70d7c57e3a78531e81bcf8b36c5eb826... | 1.646667 |
chembl:1537418 | COc1ccc(CCNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1Br | 9c76dfb27b94383628b4262d7dd154166699437b91e0e33f7562f9678db56dbc | [
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@H]2C32CC2)n1",
"COCCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"NCC1CCN(C(=O)C2C(C(=O)Nc3ncc(Br)s3)[C@@H]3C=C[C... | [
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c1d1370b4a2b9226909d66f23b6923",
"0853b44e0cf266bb6973cbf5f2ab15b4f101d1c4ad9fc2271f49923e48048358",
"3bf70d7c57e3a78531e81bcf8b36c5eb826... | 1.646333 |
chembl:1537418 | COc1ccc(CCNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1Br | 9c76dfb27b94383628b4262d7dd154166699437b91e0e33f7562f9678db56dbc | [
"CC(NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O",
"O=C(CC1CC1)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"Cc1ccc(NC(=O)C2C(C(=O)NCCC(N)=O)[C@H]3C=C[C@@H]2C... | [
"d30565e8d5737c6056311979757cab8c00e4c99d7505c9af1424ce7268b256f0",
"7c1554a4ac0f1a0ad11ba4d5671c0c918b302f080110d2ad209f2145f5e17ce7",
"c83e09c14c10771ad62a095e955b0f4f082c45e016845fd4fa8d55addc9d342f",
"112cbb8024213580a78ef8eaba54be799b4226a78b8c954a370da567966ec253",
"a31ea1f515bdb4068bd4585bd8d80d38f38... | 1.646333 |
chembl:1537418 | COc1ccc(CCNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1 | fded44c09cd01397d77d426eb4263e7f0861c064597480372044586148afcb67 | [
"CC(NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O",
"O=C(CC1CC1)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"Cc1ccc(NC(=O)C2C(C(=O)NCCC(N)=O)[C@H]3C=C[C@@H]2C... | [
"d30565e8d5737c6056311979757cab8c00e4c99d7505c9af1424ce7268b256f0",
"7c1554a4ac0f1a0ad11ba4d5671c0c918b302f080110d2ad209f2145f5e17ce7",
"c83e09c14c10771ad62a095e955b0f4f082c45e016845fd4fa8d55addc9d342f",
"112cbb8024213580a78ef8eaba54be799b4226a78b8c954a370da567966ec253",
"a31ea1f515bdb4068bd4585bd8d80d38f38... | 1.646 |
chembl:1537418 | COc1ccc(CCNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1 | fded44c09cd01397d77d426eb4263e7f0861c064597480372044586148afcb67 | [
"NC(=O)CCC(=O)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NCC1CCC(O)CC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1",
"CC(=O)c1coc(CNC(=O)C2C(C(=O)NCC(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2cnc(... | [
"9f973d39eab334195aa0649689083e82854f69cd8fb7e3fd54d4ce27b430b7fc",
"6a6bbdf4b8954d7d71dc319a1b74cedd97c3b34cfec8400ec53d4376aee571c9",
"bbabed0ab84996f76981d78c99a4b3cc1f7580513898215e1bacca5822f43334",
"69cd377f22fce8d0cc6f45e7b9226a782394a3cb870ec99016ef5c5dbc7d245a",
"2777792bea159fb0ad363bbba900572cafa... | 1.646 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)NCc2csc(Br)c2)[C@@H]2C=C[C@H]1C21CC1 | 665e2c343579ace3b6d2b8261d16d90dd8164d099945be2ff93f86ec579880aa | [
"NC(=O)CCC(=O)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NCC1CCC(O)CC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1",
"CC(=O)c1coc(CNC(=O)C2C(C(=O)NCC(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2cnc(... | [
"9f973d39eab334195aa0649689083e82854f69cd8fb7e3fd54d4ce27b430b7fc",
"6a6bbdf4b8954d7d71dc319a1b74cedd97c3b34cfec8400ec53d4376aee571c9",
"bbabed0ab84996f76981d78c99a4b3cc1f7580513898215e1bacca5822f43334",
"69cd377f22fce8d0cc6f45e7b9226a782394a3cb870ec99016ef5c5dbc7d245a",
"2777792bea159fb0ad363bbba900572cafa... | 1.645667 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)NCc2csc(Br)c2)[C@@H]2C=C[C@H]1C21CC1 | 665e2c343579ace3b6d2b8261d16d90dd8164d099945be2ff93f86ec579880aa | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21C... | [
"f3753710d374fa0a9eaa694edfabd3eedb8695e86c427d45a6c4b3302e518769",
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c144957559f96eb8c9c4079905409b",
"c2fbb0653fe39a06531125dda44504d0ae1... | 1.645667 |
chembl:1537418 | CC(NC(=O)C1C(C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1 | 7e8b8830352abee4369c83525f293a31ec856fbf14eb574826c68a3a9ca9fa40 | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21C... | [
"f3753710d374fa0a9eaa694edfabd3eedb8695e86c427d45a6c4b3302e518769",
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c144957559f96eb8c9c4079905409b",
"c2fbb0653fe39a06531125dda44504d0ae1... | 1.645 |
chembl:1537418 | CC(NC(=O)C1C(C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1)c1ccc(Br)cc1 | 7e8b8830352abee4369c83525f293a31ec856fbf14eb574826c68a3a9ca9fa40 | [
"O=C(NC1CCCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(C)(CO)NC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",... | [
"26f77fefe83ffc3a5b62d61210304fb4b157611933c4b48fecf482abaeb3c766",
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c675198a351d477126e92f826964749c",
"515d659ced17edf2d70e943aea2592a8c92... | 1.645 |
chembl:1537418 | COc1ccc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(F)c1F | 232fef4657fa7960cfc2ca6fb38edec8c55952764f0246f96eba6a8bba8d4462 | [
"O=C(NC1CCCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(C)(CO)NC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",... | [
"26f77fefe83ffc3a5b62d61210304fb4b157611933c4b48fecf482abaeb3c766",
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c675198a351d477126e92f826964749c",
"515d659ced17edf2d70e943aea2592a8c92... | 1.643333 |
chembl:1537418 | COc1ccc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c(F)c1F | 232fef4657fa7960cfc2ca6fb38edec8c55952764f0246f96eba6a8bba8d4462 | [
"O=C(NCCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@H]2C32CC2)n1",
"COCCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1... | [
"404179b5114f65baba3a188d620ba01a582f7432508925697968be9a42960be8",
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c1d1370b4a2b9226909d66f23b6923",
"0853b44e0cf266bb6973cbf5f2ab15b4f10... | 1.643333 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)Nc2nc(-c3ccccc3)ns2)[C@@H]2C=C[C@H]1C21CC1 | 39451c64c8e59c4b2240655c6e17de0ac819294c712cc0ea979920a15a81f314 | [
"O=C(NCCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@H]2C32CC2)n1",
"COCCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1... | [
"404179b5114f65baba3a188d620ba01a582f7432508925697968be9a42960be8",
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c1d1370b4a2b9226909d66f23b6923",
"0853b44e0cf266bb6973cbf5f2ab15b4f10... | 1.643 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)Nc2nc(-c3ccccc3)ns2)[C@@H]2C=C[C@H]1C21CC1 | 39451c64c8e59c4b2240655c6e17de0ac819294c712cc0ea979920a15a81f314 | [
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"CC(NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O",
"O=C(CC1CC1)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@... | [
"5300187f7947e3916481b6213a0bff80cfba1232d1339903eb43e04911bf621a",
"d30565e8d5737c6056311979757cab8c00e4c99d7505c9af1424ce7268b256f0",
"7c1554a4ac0f1a0ad11ba4d5671c0c918b302f080110d2ad209f2145f5e17ce7",
"c83e09c14c10771ad62a095e955b0f4f082c45e016845fd4fa8d55addc9d342f",
"112cbb8024213580a78ef8eaba54be799b4... | 1.643 |
chembl:1537418 | Cc1cc2ccccc2n1CCCNC(=O)C1C(C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1 | c58391e72ba51987f090bf8abca8e31cffa9b0cbd99f106bcdebe1eeff4cabad | [
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"CC(NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O",
"O=C(CC1CC1)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@... | [
"5300187f7947e3916481b6213a0bff80cfba1232d1339903eb43e04911bf621a",
"d30565e8d5737c6056311979757cab8c00e4c99d7505c9af1424ce7268b256f0",
"7c1554a4ac0f1a0ad11ba4d5671c0c918b302f080110d2ad209f2145f5e17ce7",
"c83e09c14c10771ad62a095e955b0f4f082c45e016845fd4fa8d55addc9d342f",
"112cbb8024213580a78ef8eaba54be799b4... | 1.643 |
chembl:1537418 | Cc1cc2ccccc2n1CCCNC(=O)C1C(C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1 | c58391e72ba51987f090bf8abca8e31cffa9b0cbd99f106bcdebe1eeff4cabad | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCC(=O)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NCC1CCC(O)CC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1",
"CC(=O)c1coc(CNC(=O)C2C(C(=O)NCC... | [
"b0257608e616a65ba925cc217dca1e4a4bf6dd98c222077353ec6dc037a1410d",
"9f973d39eab334195aa0649689083e82854f69cd8fb7e3fd54d4ce27b430b7fc",
"6a6bbdf4b8954d7d71dc319a1b74cedd97c3b34cfec8400ec53d4376aee571c9",
"bbabed0ab84996f76981d78c99a4b3cc1f7580513898215e1bacca5822f43334",
"69cd377f22fce8d0cc6f45e7b9226a78239... | 1.643 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)NCc2cccc(Br)c2)[C@@H]2C=C[C@H]1C21CC1 | 25f01a07076536673e8d0b734fe69b0298eae4fc7ea22c9da2cf787b6601cd4f | [
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2F)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCC(=O)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NCC1CCC(O)CC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)c1cnoc1-c1ccccc1",
"CC(=O)c1coc(CNC(=O)C2C(C(=O)NCC... | [
"b0257608e616a65ba925cc217dca1e4a4bf6dd98c222077353ec6dc037a1410d",
"9f973d39eab334195aa0649689083e82854f69cd8fb7e3fd54d4ce27b430b7fc",
"6a6bbdf4b8954d7d71dc319a1b74cedd97c3b34cfec8400ec53d4376aee571c9",
"bbabed0ab84996f76981d78c99a4b3cc1f7580513898215e1bacca5822f43334",
"69cd377f22fce8d0cc6f45e7b9226a78239... | 1.642667 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)NCc2cccc(Br)c2)[C@@H]2C=C[C@H]1C21CC1 | 25f01a07076536673e8d0b734fe69b0298eae4fc7ea22c9da2cf787b6601cd4f | [
"COc1ccc(NC(=O)C2C(C(=O)NCCC(=O)O)[C@H]3C=C[C@@H]2C32CC2)cc1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21... | [
"9b0b081998f4f79b5c63f093794b681031f75d5df2d8c78869639fd65ca34e99",
"f3753710d374fa0a9eaa694edfabd3eedb8695e86c427d45a6c4b3302e518769",
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c... | 1.642667 |
chembl:1537418 | CC(=O)c1cnc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)s1 | f4c92c4c9810338ed7dc7fe3d23d81b64ba52ced7f52deff332222189e15ad7b | [
"COc1ccc(NC(=O)C2C(C(=O)NCCC(=O)O)[C@H]3C=C[C@@H]2C32CC2)cc1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Cl)nc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1",
"CCCCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(CO)NCCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21... | [
"9b0b081998f4f79b5c63f093794b681031f75d5df2d8c78869639fd65ca34e99",
"f3753710d374fa0a9eaa694edfabd3eedb8695e86c427d45a6c4b3302e518769",
"53c461b0b415e7a6c9d0665576524e2c9b9d67a60ceb9969ef42ebceebd4a5e6",
"294709225f23112d7bc92df3388673f015702cad45865f0bec32996931b78be6",
"82790ccd0ef8669595b5666228d27937a0c... | 1.642667 |
chembl:1537418 | CC(=O)c1cnc(CNC(=O)C2C(C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)s1 | f4c92c4c9810338ed7dc7fe3d23d81b64ba52ced7f52deff332222189e15ad7b | [
"O=C(NCCF)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC1CCCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
... | [
"6dbc2570af17670176f18105b700e9143203118cb97e698158b621c3a8444a6a",
"26f77fefe83ffc3a5b62d61210304fb4b157611933c4b48fecf482abaeb3c766",
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c67... | 1.642667 |
chembl:1537418 | O=C(NCCOCCN1CCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 | 91adae0047f6a338e3ab98f236e249389eef7ca335e0309e3abe2d9cc7a43392 | [
"O=C(NCCF)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"O=C(NC1CCCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"N#CCNC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1",
"O=C(NCCO)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
... | [
"6dbc2570af17670176f18105b700e9143203118cb97e698158b621c3a8444a6a",
"26f77fefe83ffc3a5b62d61210304fb4b157611933c4b48fecf482abaeb3c766",
"0d56963e8bca680ba782d907fedd68f5c57e4f4dd7c07899e753f346fee4c73a",
"e446c7692277bd60d7933734939d601cb93dd1afc2a8cdb17f33ddd5bbfcdacf",
"5ab5082482a8336439c7c75a0832fb94c67... | 1.642333 |
chembl:1537418 | O=C(NCCOCCN1CCCC1)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 | 91adae0047f6a338e3ab98f236e249389eef7ca335e0309e3abe2d9cc7a43392 | [
"O=C(NC1CCC(O)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@... | [
"8376afbbc1558022c0d6164df83f74cf6782d186369908bc09ec7869bc4d991f",
"404179b5114f65baba3a188d620ba01a582f7432508925697968be9a42960be8",
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c... | 1.642333 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]2C=C[C@H]1C21CC1 | 91f9624618a20a09c2f0313c20e38858b6484c2f86a7693e2eb750158a046983 | [
"O=C(NC1CCC(O)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(NCCO)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"O=C(N[C@H]1CC[C@H](CO)CC1)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1",
"CC(=O)c1csc(CNC(=O)C2C(C(=O)NCCCN3CCN(C)CC3)[C@H]3C=C[C@@... | [
"8376afbbc1558022c0d6164df83f74cf6782d186369908bc09ec7869bc4d991f",
"404179b5114f65baba3a188d620ba01a582f7432508925697968be9a42960be8",
"0cc7fb82af60735d236d1ca7a95a13172e8f19c64720a0817b6d0c4d910ee588",
"bf78ca76437c6d281dfe2bc4b806ec47ce47ab03c6f49d9c338165d57b94b3c8",
"e6810efa5b21f2b25d5b8df8149b767f50c... | 1.641667 |
chembl:1537418 | O=C(NCCCCN1CCCC1)C1C(C(=O)Nc2ccc(C(F)(F)F)nc2)[C@@H]2C=C[C@H]1C21CC1 | 91f9624618a20a09c2f0313c20e38858b6484c2f86a7693e2eb750158a046983 | [
"O=C(NCCF)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1",
"CC(NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O",
"O=C(CC1CC1)NC[C@H]1C(C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1",
"NC(=O)CCNC(=O)C1C(C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21C... | [
"b06a7a7da5c6dc0eda043d432e2b3a9537dfa2d70eaf60b589957d88674a8937",
"5300187f7947e3916481b6213a0bff80cfba1232d1339903eb43e04911bf621a",
"d30565e8d5737c6056311979757cab8c00e4c99d7505c9af1424ce7268b256f0",
"7c1554a4ac0f1a0ad11ba4d5671c0c918b302f080110d2ad209f2145f5e17ce7",
"c83e09c14c10771ad62a095e955b0f4f082... | 1.641667 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 | d4f17c2fc235dc54f7791a7cd6e9c5921bb339e2bf5b5cbf445420589898e7cd | [
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"... | [
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b... | 1.675 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 | d4f17c2fc235dc54f7791a7cd6e9c5921bb339e2bf5b5cbf445420589898e7cd | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(C... | [
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c9... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 018d3d375e63fd896e0ba322da1f435f560ce92f329835ecaa0019fe0ec3e347 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(C... | [
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c9... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 018d3d375e63fd896e0ba322da1f435f560ce92f329835ecaa0019fe0ec3e347 | [
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
... | [
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 87449dd8ad6466cbe2a32b0a77efe84db7563abb7b4f3c6bc632389ceeeebcc4 | [
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
... | [
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 87449dd8ad6466cbe2a32b0a77efe84db7563abb7b4f3c6bc632389ceeeebcc4 | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
... | [
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c2... | 1.675 |
chembl:1537646 | COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 590d16540375fa8de623141e285a7b5939f496425a59904ffed6ca103525e09f | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
... | [
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c2... | 1.675 |
chembl:1537646 | COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 590d16540375fa8de623141e285a7b5939f496425a59904ffed6ca103525e09f | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nc... | [
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bb... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 867462d3c113cebf1465bce3366272f45b709b2765713b93e2ead213f8e61afc | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nc... | [
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bb... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 867462d3c113cebf1465bce3366272f45b709b2765713b93e2ead213f8e61afc | [
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1"... | [
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 2bafa71ac09f0d8095e683a1706fb658319bb82e60a9e68d39d63323fc6eaeb0 | [
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1"... | [
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 2bafa71ac09f0d8095e683a1706fb658319bb82e60a9e68d39d63323fc6eaeb0 | [
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1... | [
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d... | 1.675 |
chembl:1537646 | Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 5229c2ff1cf2710714fb16b6ebea82cf8ec68beb22ec22ea0f6c7c3741f9268a | [
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1... | [
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d... | 1.675 |
chembl:1537646 | Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 5229c2ff1cf2710714fb16b6ebea82cf8ec68beb22ec22ea0f6c7c3741f9268a | [
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O... | [
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 79d9406b8f5849def7b167a853a050b78109315e0d75c5aeea62f595174159d8 | [
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O... | [
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 79d9406b8f5849def7b167a853a050b78109315e0d75c5aeea62f595174159d8 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc... | [
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f013... | 1.675 |
chembl:1537646 | Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 | 7262b807bd2bce7ab69d25ece93e47ea04ae32543d6d5def9d52b552e4acf6f6 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc... | [
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f013... | 1.675 |
chembl:1537646 | Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 | 7262b807bd2bce7ab69d25ece93e47ea04ae32543d6d5def9d52b552e4acf6f6 | [
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O... | [
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d86... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | bab8fc192faf307e1262795386371a26bc41b9985f53076339e41ae7dcaf3527 | [
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O... | [
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d86... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | bab8fc192faf307e1262795386371a26bc41b9985f53076339e41ae7dcaf3527 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
... | [
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f... | 1.675 |
chembl:1537646 | Cc1ncc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 | 189a3cff7289e38538c602896bed1ec6c3be551e010b5a1ff67e83bba24084c0 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
... | [
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f... | 1.675 |
chembl:1537646 | Cc1ncc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 | 189a3cff7289e38538c602896bed1ec6c3be551e010b5a1ff67e83bba24084c0 | [
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1... | [
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a19385... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccccc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | cf163f3fde4f113167d444e1080788ab15b5930f3fdd00a0959a56c94f150c9b | [
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1... | [
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a19385... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccccc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | cf163f3fde4f113167d444e1080788ab15b5930f3fdd00a0959a56c94f150c9b | [
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
... | [
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | d413a49130c4dc3f82d1be7e100834d2b992bf8c2d3a53e812a7132923847fdc | [
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
... | [
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35... | 1.675 |
chembl:1537646 | CC(=O)N1CCN(S(=O)(=O)c2cnc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c(C)c2)CC1 | d413a49130c4dc3f82d1be7e100834d2b992bf8c2d3a53e812a7132923847fdc | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)c... | [
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e... | 1.675 |
chembl:1537646 | Cc1ncc(C)c(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)n1 | b58069ac021eccf2fa0eeaceb79d2160ced33021803ed0833d6a9c18c73707bc | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)c... | [
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e... | 1.675 |
chembl:1537646 | Cc1ncc(C)c(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)n1 | b58069ac021eccf2fa0eeaceb79d2160ced33021803ed0833d6a9c18c73707bc | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2c... | [
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3... | 1.675 |
chembl:1537646 | O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 | 610baad50284acefe875a56c85e29c57919e465d0c6c8dcd082bbcda7a5b5e0d | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2c... | [
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3... | 1.675 |
chembl:1537646 | O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 | 610baad50284acefe875a56c85e29c57919e465d0c6c8dcd082bbcda7a5b5e0d | [
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[... | [
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11... | 1.675 |
chembl:1537646 | Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 7fbe1efb0f9e0eb0f20148ff69141e303081b9f623283582e3159115088224d4 | [
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[... | [
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11... | 1.675 |
chembl:1537646 | Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 7fbe1efb0f9e0eb0f20148ff69141e303081b9f623283582e3159115088224d4 | [
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c... | [
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aa... | 1.675 |
chembl:1537646 | Cc1ccc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 | 2046c61e4002efec6b523c10ee70a7af6a64860572e0bf4f8db320d66e8adbb1 | [
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c... | [
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aa... | 1.675 |
chembl:1537646 | Cc1ccc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 | 2046c61e4002efec6b523c10ee70a7af6a64860572e0bf4f8db320d66e8adbb1 | [
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)... | [
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed... | 1.675 |
chembl:1537646 | CN(Cc1cccc2ccccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 0d3067c4fd44e2c72bb305a5380419c0318b6aee9e28ed233053b5e9e9587bf7 | [
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)... | [
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed... | 1.675 |
chembl:1537646 | CN(Cc1cccc2ccccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 0d3067c4fd44e2c72bb305a5380419c0318b6aee9e28ed233053b5e9e9587bf7 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1... | [
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 27090b4d9f909c35372beef2482c1fa01a25f21f1301b21750bd5cd846b29c10 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1... | [
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 27090b4d9f909c35372beef2482c1fa01a25f21f1301b21750bd5cd846b29c10 | [
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
... | [
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e358... | 1.675 |
chembl:1537646 | COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 | c8e94894c3f439dd1d42e09620a58915c456c4bc4bba3a40983a4b487965509a | [
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
... | [
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e358... | 1.675 |
chembl:1537646 | COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 | c8e94894c3f439dd1d42e09620a58915c456c4bc4bba3a40983a4b487965509a | [
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n... | [
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96a... | 1.675 |
chembl:1537646 | Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c(O)cc1O | 413e1754400e3dc2967f07061caeeab591bfa9438cbea5f847f28ae3fd49583c | [
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n... | [
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96a... | 1.675 |
chembl:1537646 | Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c(O)cc1O | 413e1754400e3dc2967f07061caeeab591bfa9438cbea5f847f28ae3fd49583c | [
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CC... | [
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321... | 1.675 |
chembl:1537646 | CNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | 56021743ea6ef67857a6dae27dffd0cab0f6a19302d1f64f4d8c30664af393e3 | [
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CC... | [
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321... | 1.675 |
chembl:1537646 | CNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | 56021743ea6ef67857a6dae27dffd0cab0f6a19302d1f64f4d8c30664af393e3 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=... | [
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4bad... | 1.675 |
chembl:1537646 | COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | adcc746ec76bf7cb084fe8b834e7b4f387efdec18ce8d71ce3e962d6889261d2 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=... | [
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4bad... | 1.675 |
chembl:1537646 | COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | adcc746ec76bf7cb084fe8b834e7b4f387efdec18ce8d71ce3e962d6889261d2 | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=... | [
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d6... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2ccncc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | c7d269d59c2a8342f39399b3034c9e300649f1e1436f89d45ec6b05f950dae7e | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=... | [
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d6... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2ccncc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | c7d269d59c2a8342f39399b3034c9e300649f1e1436f89d45ec6b05f950dae7e | [
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"... | [
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b... | 1.675 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 | e99e1e621725b3122ec22ed3d493315e5356d352c3587b7d24f332b6a529cef5 | [
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"... | [
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b... | 1.675 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 | e99e1e621725b3122ec22ed3d493315e5356d352c3587b7d24f332b6a529cef5 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(C... | [
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c9... | 1.675 |
chembl:1537646 | CCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | f63b7e11b9777d27a4bbf6aae376233469f2e03611e2eb4d34edc0a008323a5d | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(C... | [
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c9... | 1.675 |
chembl:1537646 | CCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | f63b7e11b9777d27a4bbf6aae376233469f2e03611e2eb4d34edc0a008323a5d | [
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
... | [
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c... | 1.675 |
chembl:1537646 | Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C | f2fc911dd49bf0d344780ffe7f910f92fc219f064bd7fe0f0c7d514dff8ca0f8 | [
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
... | [
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c... | 1.675 |
chembl:1537646 | Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C | f2fc911dd49bf0d344780ffe7f910f92fc219f064bd7fe0f0c7d514dff8ca0f8 | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
... | [
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c2... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 | 7638faf2fdb8348303ded1446cb8dcbe33e0e662eace0892e94ccf39b0b94512 | [
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
... | [
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c2... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 | 7638faf2fdb8348303ded1446cb8dcbe33e0e662eace0892e94ccf39b0b94512 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nc... | [
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bb... | 1.675 |
chembl:1537646 | CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | 3ca68feb7ed8354e1f29fc57b9c3ea88dddd070ededf6c760425b64deee68842 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nc... | [
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bb... | 1.675 |
chembl:1537646 | CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 | 3ca68feb7ed8354e1f29fc57b9c3ea88dddd070ededf6c760425b64deee68842 | [
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1"... | [
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3... | 1.675 |
chembl:1537646 | O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccccc2Cl)cc1 | 533ff314ff865ad3afe6697e45bf0cbc097f8aad0af741af70818438b8a5ad4c | [
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1"... | [
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3... | 1.675 |
chembl:1537646 | O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccccc2Cl)cc1 | 533ff314ff865ad3afe6697e45bf0cbc097f8aad0af741af70818438b8a5ad4c | [
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1... | [
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | b687b06ba7e3c8119b9c69b29372ca43d6c808d5184da07c535ba2e0d1565807 | [
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3cc2CO)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1... | [
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d868b45327e9846e338339dc9636eb4e",
"755fa9e6ef6a26d40efb7563862ecff49aaf93806adf1828024fda495b51476c",
"15f43d3704ca46c753e5da7b65cc1aee9d602e765a56b5521765a8c4ef197cbb",
"51fe474c78298193c72e38e25dc32c5b52d... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | b687b06ba7e3c8119b9c69b29372ca43d6c808d5184da07c535ba2e0d1565807 | [
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O... | [
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | b96398652762c5ada8543cf545d8ef6d7bf6ecd65136673cf180f79a106eed01 | [
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
"CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)cnc1OC",
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O... | [
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f49aa9d5f63e29eb82cd034c9bc13f",
"6bb9db9622da45164ba5dd8e3c4095c79ed3ad05a7a91e092de852b207257be3",
"529d3a5fc759cff959876bcd967eac99b2b80124dad7e503effc34998350535a",
"411de707c136a787b3b94fc040a97784863... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | b96398652762c5ada8543cf545d8ef6d7bf6ecd65136673cf180f79a106eed01 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc... | [
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f013... | 1.675 |
chembl:1537646 | Cc1cc(Cl)nnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 5411d7f8ed3209b10ad818e528b45841b76f2768664f8ae80a723a63619a6db9 | [
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCCC1",
"Cc1cnc(NC(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc... | [
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a1938589e94e3dd01af40e045bd9a817f22",
"cc90c3c5d89d65ce1093e009d4f03f1a38b5c35d026168926c379f4a479b6114",
"a2a34a801476cb51816eb1664d15e6690c942672c04c4cb6f364de5c41fa56e7",
"48d803fc19393c9ccb866f0488b76a6f013... | 1.675 |
chembl:1537646 | Cc1cc(Cl)nnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 | 5411d7f8ed3209b10ad818e528b45841b76f2768664f8ae80a723a63619a6db9 | [
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O... | [
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d86... | 1.675 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 | 9b5a2645bda6ffed4cdc1744717a7c3af6aa4d63d8479ef9884e5c274f473c42 | [
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncnc3ccsc23)cc1",
"N#Cc1cc(Cl)nc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)c1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"CCOC(=O... | [
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35b95d5642650942aa21e15be9b4202",
"bd28e393512f5b552e0108f689d4846e3582f716d139ec49ef407f75317c053f",
"86fdd7c512b78463fef83b016259dffc84c8c3cad617507de53653e0bb0302ef",
"202708943e3940ca2cd084a5d487aa15d86... | 1.675 |
chembl:1537646 | Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 | 9b5a2645bda6ffed4cdc1744717a7c3af6aa4d63d8479ef9884e5c274f473c42 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
... | [
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 | b92db179e3dd6366e4bdd6fe1e44c1af627e0d4140a405798029f76e7bcbae39 | [
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2[nH]1",
"CCOC(=O)c1nc(C)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C",
"O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2cnc3ccccc3n2)cc1",
"Cc1cc(C(=O)Nc2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)no1",
"O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3ccsc23)cc1",
... | [
"51fe474c78298193c72e38e25dc32c5b52d0accd0b3eb057d5327d788dbaa735",
"ce973f4e0137e95b817d24d24d4b69e339e3d6836c593aa986e1b559fac3c166",
"4116803977f17d4c9761c310aaf2b4eb96aa2de5b2790f835e0ceb4e1ceafd82",
"0ceba0d882f4798be3abb5ef459801973c278ed6628ffea3d3a3cd478c796dfb",
"6d829fd72caaaafd80d1a672a725e793e4f... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 | b92db179e3dd6366e4bdd6fe1e44c1af627e0d4140a405798029f76e7bcbae39 | [
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1... | [
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a19385... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 2e3d7b7fcd724555f9c6b17f2fe25cfd63ca7da5285615af69e12d1da3c155d5 | [
"CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)c1cc2ccccc2s1",
"O=C(Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1)NC1CCNCC1",
"COc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CNc1nccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1",
"O=C(Nc1... | [
"411de707c136a787b3b94fc040a97784863ac74ea40a499d4f75b0e26f026409",
"fb3deff1db82914ca7604c90df0c62668c3f56a998d56b0169da82042ae320eb",
"5909bc3219237d1ccef00eb86cab6172321cf63220a795d81c23773cdc98ed12",
"80ea1c0e2285518427f53b745b57d6fe4bbb8250667c003b2a7cd9a8a62042ed",
"30e93fc206b2a3041c92b54226010a19385... | 1.675 |
chembl:1537646 | Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 | 2e3d7b7fcd724555f9c6b17f2fe25cfd63ca7da5285615af69e12d1da3c155d5 | [
"CCNc1cc(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)ncn1",
"CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1",
"Cc1cc2[nH]c(=O)[nH]c2cc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1",
"NC(=O)c1nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c2ccccc2n1",
"Cc1cc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nnc1Cl",
... | [
"48d803fc19393c9ccb866f0488b76a6f01376ac84f35f5165b0b9097907677c5",
"48b808c447d5fc965df91b8d8fa375a1f11f86832e53578de2f7df43ae738430",
"79a1c64f531f413e144db0e490c602d4badb844578562c68a0399c66f930d0de",
"45ae5b79fad3f16a0d1547525c136ac58b3a1faa32f354502837bbf017ec4d9d",
"469a2b4a244843ac7a0baf374b749aaaf35... | 1.675 |
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