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:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N(C)CC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | fd29eae4a8d60ae38b8b76833093aee6218f559b2bd4cf0e115fe6599bca1f7e | [
"CSCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=... | [
"4e53a68ba3983d716ce3482498f6a8975a8081c52d5f0d8c1430d4acabe24d09",
"8b1b0694aeed0b97d974d105c0d91b8fd1125b57370bbe74ba7bccf6a5f57dc5",
"6fd7366826c32ba86142f68a56aa54fedaec7f6fcf0c8fdd6edbe8ce245e58e4",
"5fbd5491d6a1d93af825cc431caa3cd16707487407c07282483b895c8bdd6625",
"f1cb6163c95778fbb5a4f03e0db2e94b22e... | 1.630333 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N(C)CC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | fd29eae4a8d60ae38b8b76833093aee6218f559b2bd4cf0e115fe6599bca1f7e | [
"CC[C@H](C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCSC)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=... | [
"8e95a2753cc5654cd0cbe59d70577b96c320777fdccac55b6e1ded69fbf5966c",
"9d156e5d4a76fe5a4c0d75e2bf9083cb866608025282129f95512b61d835a58b",
"7ee81398fd9c916305e677fcfafcc26fcdbd5df1a686b333b0590ba152eb8b90",
"6e04378ab67b1204132d501c0e97d4c5d0d4c172c96d58e77ae169d112f83d75",
"3a77e5d1239c09c5614b97ae410af2e14ef... | 1.630333 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 7254fc3eff0ad0f76c6dd296890604fe0ff11e91e1ae7e10419d7e272dec0aae | [
"CC[C@H](C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCSC)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=... | [
"8e95a2753cc5654cd0cbe59d70577b96c320777fdccac55b6e1ded69fbf5966c",
"9d156e5d4a76fe5a4c0d75e2bf9083cb866608025282129f95512b61d835a58b",
"7ee81398fd9c916305e677fcfafcc26fcdbd5df1a686b333b0590ba152eb8b90",
"6e04378ab67b1204132d501c0e97d4c5d0d4c172c96d58e77ae169d112f83d75",
"3a77e5d1239c09c5614b97ae410af2e14ef... | 1.629667 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 7254fc3eff0ad0f76c6dd296890604fe0ff11e91e1ae7e10419d7e272dec0aae | [
"CC[C@H](C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CO)NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCSC... | [
"07359ad2d1e0cf2d42454ae2cfb280fe52e060a30eb48631c2d76e0e29028d6e",
"a2cb34c96edb9ecc86b23b535a56b8e5dc089df8ee6b4c6794672205184a1c2e",
"4e53a68ba3983d716ce3482498f6a8975a8081c52d5f0d8c1430d4acabe24d09",
"8b1b0694aeed0b97d974d105c0d91b8fd1125b57370bbe74ba7bccf6a5f57dc5",
"6fd7366826c32ba86142f68a56aa54fedae... | 1.629667 |
chembl:1916884 | CSCCC1NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(C)=O)CSSCC(C(=O)NC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C([C@@H](C)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCSC)NC(... | beb2869ad9928ee0afbb1680c14dfae9678c93c3d2ae5ed89e3d8ac2c589f7c6 | [
"CC[C@H](C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CO)NC(C)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCSC... | [
"07359ad2d1e0cf2d42454ae2cfb280fe52e060a30eb48631c2d76e0e29028d6e",
"a2cb34c96edb9ecc86b23b535a56b8e5dc089df8ee6b4c6794672205184a1c2e",
"4e53a68ba3983d716ce3482498f6a8975a8081c52d5f0d8c1430d4acabe24d09",
"8b1b0694aeed0b97d974d105c0d91b8fd1125b57370bbe74ba7bccf6a5f57dc5",
"6fd7366826c32ba86142f68a56aa54fedae... | 1.629 |
chembl:1916884 | CSCCC1NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCCN)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(C)=O)CSSCC(C(=O)NC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(Cc2ccccc2)C(N)=O)C(C)C)C(C)C)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C([C@@H](C)O)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCSC)NC(... | beb2869ad9928ee0afbb1680c14dfae9678c93c3d2ae5ed89e3d8ac2c589f7c6 | [
"CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(C)=O)C(C)C)C(C)C)C(=O)NC(C)C(=O)NC(CC... | [
"8b8ee3d1c92a1021ee327501945d1ffd08f26d7d0f1b0a03aec38c51451d109b",
"631945a9590d1ec030349dba45430feca669b335d26771b1999c77141f2ee060",
"8e95a2753cc5654cd0cbe59d70577b96c320777fdccac55b6e1ded69fbf5966c",
"9d156e5d4a76fe5a4c0d75e2bf9083cb866608025282129f95512b61d835a58b",
"7ee81398fd9c916305e677fcfafcc26fcdb... | 1.629 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N(C)CC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | e3920d98d3629466b70ba15489838c603b740ec33c3f152fe33bd235ca2bd2f5 | [
"CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(C)=O)C(C)C)C(C)C)C(=O)NC(C)C(=O)NC(CC... | [
"8b8ee3d1c92a1021ee327501945d1ffd08f26d7d0f1b0a03aec38c51451d109b",
"631945a9590d1ec030349dba45430feca669b335d26771b1999c77141f2ee060",
"8e95a2753cc5654cd0cbe59d70577b96c320777fdccac55b6e1ded69fbf5966c",
"9d156e5d4a76fe5a4c0d75e2bf9083cb866608025282129f95512b61d835a58b",
"7ee81398fd9c916305e677fcfafcc26fcdb... | 1.629 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)N(C)CC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | e3920d98d3629466b70ba15489838c603b740ec33c3f152fe33bd235ca2bd2f5 | [
"CC[C@H](C)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC... | [
"5f5236e074c896648a3121386107b214031690c62eff69ef397ad3171dd0cafb",
"ef90e44959fd6aba9632ec5e89598cd5a78ce3ae3c53878aba501821b0707cd1",
"07359ad2d1e0cf2d42454ae2cfb280fe52e060a30eb48631c2d76e0e29028d6e",
"a2cb34c96edb9ecc86b23b535a56b8e5dc089df8ee6b4c6794672205184a1c2e",
"4e53a68ba3983d716ce3482498f6a8975a8... | 1.629 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 79f6419705a6bfa99049fef8f921c4c0418ce0be4ffeef96bf5e6ee73356673d | [
"CC[C@H](C)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC... | [
"5f5236e074c896648a3121386107b214031690c62eff69ef397ad3171dd0cafb",
"ef90e44959fd6aba9632ec5e89598cd5a78ce3ae3c53878aba501821b0707cd1",
"07359ad2d1e0cf2d42454ae2cfb280fe52e060a30eb48631c2d76e0e29028d6e",
"a2cb34c96edb9ecc86b23b535a56b8e5dc089df8ee6b4c6794672205184a1c2e",
"4e53a68ba3983d716ce3482498f6a8975a8... | 1.629 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 79f6419705a6bfa99049fef8f921c4c0418ce0be4ffeef96bf5e6ee73356673d | [
"CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@... | [
"5fbd5491d6a1d93af825cc431caa3cd16707487407c07282483b895c8bdd6625",
"f1cb6163c95778fbb5a4f03e0db2e94b22ea8f61a587a39baa9be691fac1e9b3",
"8b8ee3d1c92a1021ee327501945d1ffd08f26d7d0f1b0a03aec38c51451d109b",
"631945a9590d1ec030349dba45430feca669b335d26771b1999c77141f2ee060",
"8e95a2753cc5654cd0cbe59d70577b96c32... | 1.629 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 81dec2e249dd62afa5cff5b91496aa4ef2e42bd39ff1d0fba063385347156598 | [
"CSCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@... | [
"5fbd5491d6a1d93af825cc431caa3cd16707487407c07282483b895c8bdd6625",
"f1cb6163c95778fbb5a4f03e0db2e94b22ea8f61a587a39baa9be691fac1e9b3",
"8b8ee3d1c92a1021ee327501945d1ffd08f26d7d0f1b0a03aec38c51451d109b",
"631945a9590d1ec030349dba45430feca669b335d26771b1999c77141f2ee060",
"8e95a2753cc5654cd0cbe59d70577b96c32... | 1.628333 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 81dec2e249dd62afa5cff5b91496aa4ef2e42bd39ff1d0fba063385347156598 | [
"CC[C@H](C)C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(N)CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=... | [
"6e04378ab67b1204132d501c0e97d4c5d0d4c172c96d58e77ae169d112f83d75",
"3a77e5d1239c09c5614b97ae410af2e14ef54c274dad82dbd4bf519c2e4c0755",
"5f5236e074c896648a3121386107b214031690c62eff69ef397ad3171dd0cafb",
"ef90e44959fd6aba9632ec5e89598cd5a78ce3ae3c53878aba501821b0707cd1",
"07359ad2d1e0cf2d42454ae2cfb280fe52e... | 1.628333 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 6e8b4f1ae5a0a361c8a233599c5229cb88fbe77137a19eec7d94627a423782ea | [
"CC[C@H](C)C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(N)CO)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=... | [
"6e04378ab67b1204132d501c0e97d4c5d0d4c172c96d58e77ae169d112f83d75",
"3a77e5d1239c09c5614b97ae410af2e14ef54c274dad82dbd4bf519c2e4c0755",
"5f5236e074c896648a3121386107b214031690c62eff69ef397ad3171dd0cafb",
"ef90e44959fd6aba9632ec5e89598cd5a78ce3ae3c53878aba501821b0707cd1",
"07359ad2d1e0cf2d42454ae2cfb280fe52e... | 1.628333 |
chembl:1916884 | CC(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O)C(C)C)C(C)C | 6e8b4f1ae5a0a361c8a233599c5229cb88fbe77137a19eec7d94627a423782ea | [
"CC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)... | [
"8b1b0694aeed0b97d974d105c0d91b8fd1125b57370bbe74ba7bccf6a5f57dc5",
"6fd7366826c32ba86142f68a56aa54fedaec7f6fcf0c8fdd6edbe8ce245e58e4",
"5fbd5491d6a1d93af825cc431caa3cd16707487407c07282483b895c8bdd6625",
"f1cb6163c95778fbb5a4f03e0db2e94b22ea8f61a587a39baa9be691fac1e9b3",
"8b8ee3d1c92a1021ee327501945d1ffd08f... | 1.628333 |
chembl:1919658 | SCc1ccc(-c2cccnc2)o1 | 1d98be62d833fc1099877d7dd30855c4a99a6a3d3e267e86a8e88b2b92049169 | [
"O=Cc1ccc(-c2cccnc2)s1",
"CCn1cnc(-c2cccnc2)c1",
"NCc1ccc(-c2cccnc2)s1",
"Cc1ccsc1-c1ccc(F)nc1",
"NCc1ccc(-c2cccnc2)o1",
"Nc1ccc(-c2cccnc2)s1",
"Cc1nccn1-c1cccnc1"
] | [
"6944825292f268234afb5420a2d650fc9685bdc4f95ffd74e4af264ad5ffe45e",
"beea2a9011e42b8f36d34f2584a6b38dd9b8024a885dec87f44f11f973c8d0fe",
"df3a46975e0ecaf35d39513eddafe5895d911d2be5c8e2a68a3b73273b45068d",
"3ef2cb3d452277c578368969e7790519b9a1343df933a55df9338d189dd84cf2",
"7aaa065f00825d695952829faa0f2792e09... | 1.643333 |
chembl:1919658 | SCc1ccc(-c2cccnc2)o1 | 1d98be62d833fc1099877d7dd30855c4a99a6a3d3e267e86a8e88b2b92049169 | [
"Cc1cscc1-c1ccc(F)nc1",
"c1cncc(-c2c[nH]cn2)c1",
"ON=Cc1ccc(-c2cccnc2)o1",
"CC(=O)c1ccc(-c2cccnc2)s1",
"c1cncc(-c2ccsc2)c1",
"CN(C)Cc1ccc(-c2cccnc2)o1",
"CN(C)Cc1ccc(-c2cccnc2)s1"
] | [
"dcee7614d661c143a74d00c31b7cc3662b755a993b0d5500bcb0abb58150b84b",
"247fa16683d2144958f2c32fcf88a0ded9b8d7d75cf3312b6977c4e796ff4602",
"d288fe03fea012b36db9782a2b1867c6ddcba0884e6b762e88018a9f966688c2",
"930bd13739e6da8baeb67feb347a7ab9c2fd1b8f824dc1d7dce5df8fccb80fc9",
"2ed33f2a3a16ba49be3e38dd6805f2a2bdd... | 1.643333 |
chembl:1919658 | CC(=O)SCc1ccc(-c2cccnc2)o1 | f9fcc501799e4310547d5ea3b8ea3a1a32a58258b0847e319dc149484bb2e9ba | [
"Cc1cscc1-c1ccc(F)nc1",
"c1cncc(-c2c[nH]cn2)c1",
"ON=Cc1ccc(-c2cccnc2)o1",
"CC(=O)c1ccc(-c2cccnc2)s1",
"c1cncc(-c2ccsc2)c1",
"CN(C)Cc1ccc(-c2cccnc2)o1",
"CN(C)Cc1ccc(-c2cccnc2)s1"
] | [
"dcee7614d661c143a74d00c31b7cc3662b755a993b0d5500bcb0abb58150b84b",
"247fa16683d2144958f2c32fcf88a0ded9b8d7d75cf3312b6977c4e796ff4602",
"d288fe03fea012b36db9782a2b1867c6ddcba0884e6b762e88018a9f966688c2",
"930bd13739e6da8baeb67feb347a7ab9c2fd1b8f824dc1d7dce5df8fccb80fc9",
"2ed33f2a3a16ba49be3e38dd6805f2a2bdd... | 1.620333 |
chembl:1919658 | CC(=O)SCc1ccc(-c2cccnc2)o1 | f9fcc501799e4310547d5ea3b8ea3a1a32a58258b0847e319dc149484bb2e9ba | [
"CNCc1ccc(-c2cccnc2)s1",
"CNCc1ccc(-c2cccnc2)o1",
"c1cncc(-c2cccnc2)c1",
"O=Cc1ccc(-c2cccnc2)s1",
"CCn1cnc(-c2cccnc2)c1",
"NCc1ccc(-c2cccnc2)s1",
"Cc1ccsc1-c1ccc(F)nc1"
] | [
"1f66f14b8d9fafd54171e134a154d265476aef754f8ac656c8a9f3508c818ab5",
"e6fab5e124a265f303e89f49be823766e6c1bad97162f3e05919133ad424b589",
"b407183826460521348a7634e37bb9efddb96caa055dbe2ef96c7fb31b36ed37",
"6944825292f268234afb5420a2d650fc9685bdc4f95ffd74e4af264ad5ffe45e",
"beea2a9011e42b8f36d34f2584a6b38dd9b... | 1.620333 |
chembl:1919658 | c1ccc(Cn2cnc(-c3cccnc3)c2)cc1 | bf2902a7a4a09922522a30eea96673aea07948d0d3d13af75b5cc35a08a300df | [
"CNCc1ccc(-c2cccnc2)s1",
"CNCc1ccc(-c2cccnc2)o1",
"c1cncc(-c2cccnc2)c1",
"O=Cc1ccc(-c2cccnc2)s1",
"CCn1cnc(-c2cccnc2)c1",
"NCc1ccc(-c2cccnc2)s1",
"Cc1ccsc1-c1ccc(F)nc1"
] | [
"1f66f14b8d9fafd54171e134a154d265476aef754f8ac656c8a9f3508c818ab5",
"e6fab5e124a265f303e89f49be823766e6c1bad97162f3e05919133ad424b589",
"b407183826460521348a7634e37bb9efddb96caa055dbe2ef96c7fb31b36ed37",
"6944825292f268234afb5420a2d650fc9685bdc4f95ffd74e4af264ad5ffe45e",
"beea2a9011e42b8f36d34f2584a6b38dd9b... | 1.616333 |
chembl:1919658 | c1ccc(Cn2cnc(-c3cccnc3)c2)cc1 | bf2902a7a4a09922522a30eea96673aea07948d0d3d13af75b5cc35a08a300df | [
"NCc1ccc(-c2cccnc2)o1",
"Nc1ccc(-c2cccnc2)s1",
"Cc1nccn1-c1cccnc1",
"Cc1cscc1-c1ccc(F)nc1",
"c1cncc(-c2c[nH]cn2)c1",
"ON=Cc1ccc(-c2cccnc2)o1",
"CC(=O)c1ccc(-c2cccnc2)s1"
] | [
"7aaa065f00825d695952829faa0f2792e0969dcc8c51bf473486f9842c3682e4",
"73d0550c616ea13727a265caf9ae7e517d4dbeade5b0db46dd3d3697fc8bbb1a",
"254774c4d4301ab52da5e85a5f1b655becdebaf29d88c8866de4187c74cf5eb4",
"dcee7614d661c143a74d00c31b7cc3662b755a993b0d5500bcb0abb58150b84b",
"247fa16683d2144958f2c32fcf88a0ded9b... | 1.616333 |
chembl:1919658 | c1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1 | ffb17d3673338e08051368e498eb46715580742d69c9c7a0787d176c1b76f302 | [
"NCc1ccc(-c2cccnc2)o1",
"Nc1ccc(-c2cccnc2)s1",
"Cc1nccn1-c1cccnc1",
"Cc1cscc1-c1ccc(F)nc1",
"c1cncc(-c2c[nH]cn2)c1",
"ON=Cc1ccc(-c2cccnc2)o1",
"CC(=O)c1ccc(-c2cccnc2)s1"
] | [
"7aaa065f00825d695952829faa0f2792e0969dcc8c51bf473486f9842c3682e4",
"73d0550c616ea13727a265caf9ae7e517d4dbeade5b0db46dd3d3697fc8bbb1a",
"254774c4d4301ab52da5e85a5f1b655becdebaf29d88c8866de4187c74cf5eb4",
"dcee7614d661c143a74d00c31b7cc3662b755a993b0d5500bcb0abb58150b84b",
"247fa16683d2144958f2c32fcf88a0ded9b... | 1.610667 |
chembl:1919658 | c1cncc(-c2ccc(CNCc3ccc(-c4cccnc4)s3)s2)c1 | ffb17d3673338e08051368e498eb46715580742d69c9c7a0787d176c1b76f302 | [
"c1cncc(-c2ccsc2)c1",
"CN(C)Cc1ccc(-c2cccnc2)o1",
"CN(C)Cc1ccc(-c2cccnc2)s1",
"CNCc1ccc(-c2cccnc2)s1",
"CNCc1ccc(-c2cccnc2)o1",
"c1cncc(-c2cccnc2)c1",
"O=Cc1ccc(-c2cccnc2)s1"
] | [
"2ed33f2a3a16ba49be3e38dd6805f2a2bddecf6920dd081abeb70687d151d340",
"a06c7c01a58d321d4ab31ab2ef6083fc3b6af25440472b03e95c54f4c3e9c6aa",
"02f38c7789e1fdb526c0318684d03a09f844f982f3f1eed71d9e8d1cc353622c",
"1f66f14b8d9fafd54171e134a154d265476aef754f8ac656c8a9f3508c818ab5",
"e6fab5e124a265f303e89f49be823766e6c... | 1.610667 |
chembl:1931473 | CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1 | 62cef1b94a7c6ddceff880baf824df5b81df1028f9c0fae9920566c2bd99303c | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2cc... | [
"93b4a61e44523a037e7fdbc0eb290fa21de03d90bc290b38561bf7784572fae9",
"128b3a5622ca08cce9ab47c193f5a303842214e98ddc56c3605c1f908a48e861",
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b... | 1.566667 |
chembl:1931473 | CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1 | 62cef1b94a7c6ddceff880baf824df5b81df1028f9c0fae9920566c2bd99303c | [
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1C... | [
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f1... | 1.566667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | c7cc6d8d9775a4dc578c43d48280e66ddd6279f0b124df766e1066db216964bf | [
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1C... | [
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f1... | 1.558333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | c7cc6d8d9775a4dc578c43d48280e66ddd6279f0b124df766e1066db216964bf | [
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-... | [
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bc... | 1.558333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N(C)C)n5)CC4)cc3n2)cc1Cl | 092d0cf408b841e79a1030a1462f519219442f5a0fdd2df9194da587252c3ff5 | [
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-... | [
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bc... | 1.557667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N(C)C)n5)CC4)cc3n2)cc1Cl | 092d0cf408b841e79a1030a1462f519219442f5a0fdd2df9194da587252c3ff5 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
... | [
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd... | 1.557667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3n2)cc1Cl | 1af8e86da46480420a2bae9e29e5fef0af3199b76f95d05959de46d7241ef513 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
... | [
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd... | 1.557667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccc(C#N)cn5)CC4)cc3n2)cc1Cl | 1af8e86da46480420a2bae9e29e5fef0af3199b76f95d05959de46d7241ef513 | [
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc... | [
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b10... | 1.557667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncccc5C#N)CC4)cc3n2)cc1Cl | a3f099cf41e7e62942b23956d8e42e47ba388de558c3ac22e3d5eaab3c605e6a | [
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc... | [
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b10... | 1.554333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncccc5C#N)CC4)cc3n2)cc1Cl | a3f099cf41e7e62942b23956d8e42e47ba388de558c3ac22e3d5eaab3c605e6a | [
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"... | [
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d... | 1.554333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccncc5)C4)cc3n2)cc1Cl | 48e4438c729a7e2590acb7382c9c7f1947e330f74749c3b5d4a6e73823ad7ce6 | [
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"... | [
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d... | 1.551667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccncc5)C4)cc3n2)cc1Cl | 48e4438c729a7e2590acb7382c9c7f1947e330f74749c3b5d4a6e73823ad7ce6 | [
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(... | [
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec3... | 1.551667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc([N+](=O)[O-])cc5)C4)cc3n2)cc1Cl | 435ee48bc544d241ea76813a27631b12a4205e9d823b0f900b49c094409349a6 | [
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(... | [
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec3... | 1.551 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc([N+](=O)[O-])cc5)C4)cc3n2)cc1Cl | 435ee48bc544d241ea76813a27631b12a4205e9d823b0f900b49c094409349a6 | [
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C... | [
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e2... | 1.551 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl | c849e9d7fea412d8f9dcb4eb356b58f49d2ba0f1e2589ffc5aedcad864cdc2e7 | [
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C... | [
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e2... | 1.550333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl | c849e9d7fea412d8f9dcb4eb356b58f49d2ba0f1e2589ffc5aedcad864cdc2e7 | [
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2... | [
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16f515d7439eff5c7483a577ad04cd8",
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fe... | 1.550333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)cc3n2)cc1Cl | f49803f6d9ce4a90f479d3606973e97ac28191a0c4e33e5aecfe86820fcad750 | [
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2... | [
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16f515d7439eff5c7483a577ad04cd8",
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fe... | 1.550333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)cc3n2)cc1Cl | f49803f6d9ce4a90f479d3606973e97ac28191a0c4e33e5aecfe86820fcad750 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)c... | [
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64aa4a0d4cb2d85c6a0cd65d955b9de8",
"20dd45716cf8670aa8a22c295d62b1e0287... | 1.550333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5nccc(N)n5)CC4)cc3n2)cc1Cl | 298bed8e054f3c4f1c318f2e62cf37982f60b4025a8749d067686fc2c4a85680 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)c... | [
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64aa4a0d4cb2d85c6a0cd65d955b9de8",
"20dd45716cf8670aa8a22c295d62b1e0287... | 1.55 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5nccc(N)n5)CC4)cc3n2)cc1Cl | 298bed8e054f3c4f1c318f2e62cf37982f60b4025a8749d067686fc2c4a85680 | [
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1c... | [
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"0cd8bb7aad4584cd5691cf4a918355b5308... | 1.55 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cccnc5)CC4)cc3n2)cc1Cl | 70c0d4b6f41b0c2c4985355cf2987de9d6dd388648249f9da0d42578f59146db | [
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1c... | [
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"0cd8bb7aad4584cd5691cf4a918355b5308... | 1.55 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cccnc5)CC4)cc3n2)cc1Cl | 70c0d4b6f41b0c2c4985355cf2987de9d6dd388648249f9da0d42578f59146db | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc... | [
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd54484940c412a74443fd5eaaa7b42",
"4ee017e6fd322870eca69c52683c04772cc... | 1.55 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(C)cc5)C4)cc3n2)cc1Cl | 7bbb1392ade86fa18c6ac4039b854f0735a9b6ca780968916150cc64a3446eae | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc... | [
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd54484940c412a74443fd5eaaa7b42",
"4ee017e6fd322870eca69c52683c04772cc... | 1.549333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(C)cc5)C4)cc3n2)cc1Cl | 7bbb1392ade86fa18c6ac4039b854f0735a9b6ca780968916150cc64a3446eae | [
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OC... | [
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf35d14909247bd8d00a804aba9f9d2",
"95d703fca2eab6d447795b3f20f5cb63892... | 1.549333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](NCc5ccccc5)CC4)cc3n2)cc1Cl | 442274868234c9356a79cbcb1122553b919d7ab71cfdfd78530eb408d8e1ad59 | [
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OC... | [
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf35d14909247bd8d00a804aba9f9d2",
"95d703fca2eab6d447795b3f20f5cb63892... | 1.547333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](NCc5ccccc5)CC4)cc3n2)cc1Cl | 442274868234c9356a79cbcb1122553b919d7ab71cfdfd78530eb408d8e1ad59 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)... | [
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de03d90bc290b38561bf7784572fae9",
"128b3a5622ca08cce9ab47c193f5a303842... | 1.547333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cnccn5)CC4)cc3n2)cc1Cl | f2140e6391ef75b5c9ed5955d606296ff47ff583c4343db92428b188d0573a42 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)... | [
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de03d90bc290b38561bf7784572fae9",
"128b3a5622ca08cce9ab47c193f5a303842... | 1.547333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cnccn5)CC4)cc3n2)cc1Cl | f2140e6391ef75b5c9ed5955d606296ff47ff583c4343db92428b188d0573a42 | [
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NC... | [
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084... | 1.547333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl | 9e5f7d8e7142cbb0ece5856fb7f2c301a505f8e6909c940edd70b6c5cf622c54 | [
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NC... | [
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084... | 1.547 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl | 9e5f7d8e7142cbb0ece5856fb7f2c301a505f8e6909c940edd70b6c5cf622c54 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(... | [
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16f515d7439eff5c7483a577ad04cd8",
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fef31879fc26c2806df89de2adede26",
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aeca... | 1.547 |
chembl:1931473 | COc1ccc(CN[C@H]2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)C2)cc1 | ee708f0fa46b2a1a998523b6c71fb0c96c3fe57cb149944e1995f51068f635aa | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(... | [
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16f515d7439eff5c7483a577ad04cd8",
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fef31879fc26c2806df89de2adede26",
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aeca... | 1.547 |
chembl:1931473 | COc1ccc(CN[C@H]2CCN(c3ccn4cc(-c5cc(Cl)c(OC)cc5OC)nc4c3)C2)cc1 | ee708f0fa46b2a1a998523b6c71fb0c96c3fe57cb149944e1995f51068f635aa | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1... | [
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64aa4a0d4cb2d85c6a0cd65d955b9de8",
"20dd45716cf8670aa8a22c295d62b1e0287ea8f0c65aaad01d27718e1a34bbb5",
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e2297... | 1.547 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(C(F)(F)F)cc5)C4)cc3n2)cc1Cl | 0692931f5a65857fea5951e1726ec80c24a821f70dfa6d76b9204385ec9999a4 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1... | [
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64aa4a0d4cb2d85c6a0cd65d955b9de8",
"20dd45716cf8670aa8a22c295d62b1e0287ea8f0c65aaad01d27718e1a34bbb5",
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e2297... | 1.547 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(C(F)(F)F)cc5)C4)cc3n2)cc1Cl | 0692931f5a65857fea5951e1726ec80c24a821f70dfa6d76b9204385ec9999a4 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)O... | [
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"0cd8bb7aad4584cd5691cf4a918355b5308db78d3de5a444ba689ae01939c0bd",
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cf... | 1.547 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(OC4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | 22f06e2d48cbd9f1d4ee1ddd323892fb6ddc78c3b477758ed8e2b68a455f691c | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)O... | [
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"0cd8bb7aad4584cd5691cf4a918355b5308db78d3de5a444ba689ae01939c0bd",
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cf... | 1.546667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(OC4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | 22f06e2d48cbd9f1d4ee1ddd323892fb6ddc78c3b477758ed8e2b68a455f691c | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3c... | [
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd54484940c412a74443fd5eaaa7b42",
"4ee017e6fd322870eca69c52683c04772cc8caa2e75fef9b1e06c32e02fa99d2",
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd6... | 1.546667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccccn5)CC4)cc3n2)cc1Cl | 3f81125caf660ce4e1132dc024ca67b5b93192fc01cf79273243f490fa7593c9 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3c... | [
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd54484940c412a74443fd5eaaa7b42",
"4ee017e6fd322870eca69c52683c04772cc8caa2e75fef9b1e06c32e02fa99d2",
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd6... | 1.546667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccccn5)CC4)cc3n2)cc1Cl | 3f81125caf660ce4e1132dc024ca67b5b93192fc01cf79273243f490fa7593c9 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc... | [
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf35d14909247bd8d00a804aba9f9d2",
"95d703fca2eab6d447795b3f20f5cb638923895f173f2413ea7f2ad16b119676",
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b... | 1.546667 |
chembl:1931473 | CCCCCNC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 | b5c6dc9378a392500635c28fdae87dc47c6b5cbd816fdf9c00a07ad9c1405543 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc... | [
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf35d14909247bd8d00a804aba9f9d2",
"95d703fca2eab6d447795b3f20f5cb638923895f173f2413ea7f2ad16b119676",
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b... | 1.546 |
chembl:1931473 | CCCCCNC1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 | b5c6dc9378a392500635c28fdae87dc47c6b5cbd816fdf9c00a07ad9c1405543 | [
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-... | [
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de03d90bc290b38561bf7784572fae9",
"128b3a5622ca08cce9ab47c193f5a303842214e98ddc56c3605c1f908a48e861",
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce6351... | 1.546 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCCNCCNC(=O)OC(C)(C)C)cc4)cc3n2)cc1Cl | 5146504e5258ea9480476248492820085ebb060bff69b1f357f0ac4957948b9a | [
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-... | [
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de03d90bc290b38561bf7784572fae9",
"128b3a5622ca08cce9ab47c193f5a303842214e98ddc56c3605c1f908a48e861",
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce6351... | 1.545667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCCNCCNC(=O)OC(C)(C)C)cc4)cc3n2)cc1Cl | 5146504e5258ea9480476248492820085ebb060bff69b1f357f0ac4957948b9a | [
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(... | [
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4... | 1.545667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl | 0ba275a4fa6285f6b5fd12abfa1f51e5309842e222e0bcff82820ca5d55be76b | [
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(... | [
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375c085138c6533cc9ddcb5e8df06690",
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4... | 1.545333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCOCC6)n5)CC4)cc3n2)cc1Cl | 0ba275a4fa6285f6b5fd12abfa1f51e5309842e222e0bcff82820ca5d55be76b | [
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)... | [
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fef31879fc26c2806df89de2adede26",
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32... | 1.545333 |
chembl:1931473 | COC(=O)N[C@H]1CC[C@H](Nc2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 | cf058d3f409d83c9a2786692e19a101b944d2f245be3763eeeca5622a2e6246b | [
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)... | [
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fef31879fc26c2806df89de2adede26",
"e577ec508dae91dbda51435021105b9016f55e17704852c3c0a8dcf7739b444c",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32... | 1.545 |
chembl:1931473 | COC(=O)N[C@H]1CC[C@H](Nc2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 | cf058d3f409d83c9a2786692e19a101b944d2f245be3763eeeca5622a2e6246b | [
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1C... | [
"20dd45716cf8670aa8a22c295d62b1e0287ea8f0c65aaad01d27718e1a34bbb5",
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3... | 1.545 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccccc5)C4)cc3n2)cc1Cl | b747ae73145d0919950b5823b515ab35a66db0b8d9ccac76aca344a483e2c5d2 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1C",
"COc1cc(OC)c(-c2cn3ccc(N4CCNC4=O)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1C... | [
"20dd45716cf8670aa8a22c295d62b1e0287ea8f0c65aaad01d27718e1a34bbb5",
"d8f95f819eaa46bafc251d848bd5dbf1f6fec970bb02af3fdbac3116cd3155e3",
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3... | 1.545 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccccc5)C4)cc3n2)cc1Cl | b747ae73145d0919950b5823b515ab35a66db0b8d9ccac76aca344a483e2c5d2 | [
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)C... | [
"0cd8bb7aad4584cd5691cf4a918355b5308db78d3de5a444ba689ae01939c0bd",
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b840060... | 1.545 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cccc(F)n5)CC4)cc3n2)cc1Cl | 1db0520238fb96249b1a81bf57c713aa2b03ea0c7385bc9558a1f25e21d8f59d | [
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)C... | [
"0cd8bb7aad4584cd5691cf4a918355b5308db78d3de5a444ba689ae01939c0bd",
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b840060... | 1.544667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5cccc(F)n5)CC4)cc3n2)cc1Cl | 1db0520238fb96249b1a81bf57c713aa2b03ea0c7385bc9558a1f25e21d8f59d | [
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
... | [
"4ee017e6fd322870eca69c52683c04772cc8caa2e75fef9b1e06c32e02fa99d2",
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae84... | 1.544667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](CN5CCN(S(C)(=O)=O)CC5)CC4)cc3n2)cc1Cl | de64ad94ffbcd15d0aa36d8b1b728a8e06f09a8858fa43567a6f1a27aa5b911c | [
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)c(N4CCOCC4)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
... | [
"4ee017e6fd322870eca69c52683c04772cc8caa2e75fef9b1e06c32e02fa99d2",
"5929955205c95839aba63856c215e99e382098dc5c0a06cacf3a4ee4d6caf25a",
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae84... | 1.544333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](CN5CCN(S(C)(=O)=O)CC5)CC4)cc3n2)cc1Cl | de64ad94ffbcd15d0aa36d8b1b728a8e06f09a8858fa43567a6f1a27aa5b911c | [
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2c... | [
"95d703fca2eab6d447795b3f20f5cb638923895f173f2413ea7f2ad16b119676",
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb... | 1.544333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](CN5CCN(Cc6ccccc6)CC5)CC4)cc3n2)cc1Cl | a90b3b72325241bb1d8a1ba4139730ca1fd5dfa7f331803e798f65a530136c15 | [
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC5CCNCC5)cc4)cc3n2)cc1Cl",
"COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2c... | [
"95d703fca2eab6d447795b3f20f5cb638923895f173f2413ea7f2ad16b119676",
"41a9e45403f156fbba168e1f2f4bf6b4e910c513bd38ccd765bc6ea41000a947",
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb... | 1.544333 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](CN5CCN(Cc6ccccc6)CC5)CC4)cc3n2)cc1Cl | a90b3b72325241bb1d8a1ba4139730ca1fd5dfa7f331803e798f65a530136c15 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc... | [
"128b3a5622ca08cce9ab47c193f5a303842214e98ddc56c3605c1f908a48e861",
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e9... | 1.544333 |
chembl:1931473 | CNCC(=O)Nc1ccc(-c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)cc1 | 01a5a994067c0df1e3d52190d0e4ffc6ac0a8e2291f3ad65f0afb991ec360407 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(C)NC(=O)OC(C)(C)C)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc... | [
"128b3a5622ca08cce9ab47c193f5a303842214e98ddc56c3605c1f908a48e861",
"a7f5fd3bdb694d88d6fc9af393bf5fc1bbc63526c4a62ea19cd48bc766fb159a",
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e9... | 1.544 |
chembl:1931473 | CNCC(=O)Nc1ccc(-c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)cc1 | 01a5a994067c0df1e3d52190d0e4ffc6ac0a8e2291f3ad65f0afb991ec360407 | [
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)... | [
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16... | 1.544 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(F)cc5)C4)cc3n2)cc1Cl | b088d183bee82304946ac3c72a6d72e4f0695fe38ed76be8691f95dfd5b1ed6f | [
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCN(S(=O)(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)... | [
"ac033fe3642bbc42dc9855ba2fadbbbb084d88dbba4c0478d9762e9205875f2a",
"cd10e82c1bbde6ab01bbc53b93d9bdcbb49399c5ce600b3c21acf5f329e52644",
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16... | 1.543 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CC[C@H](NCc5ccc(F)cc5)C4)cc3n2)cc1Cl | b088d183bee82304946ac3c72a6d72e4f0695fe38ed76be8691f95dfd5b1ed6f | [
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)... | [
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64a... | 1.543 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](Nc5ccccn5)CC4)cc3n2)cc1Cl | 2c3b836d411e12154c79d7b333897c64f77e5bcb36ce92679b457aaf6f4397a0 | [
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCOCC4)c(F)c3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC#N)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)... | [
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"b4af1aac4288918123b3c798bd4aea4cd32490fc4818f02dd632d9f80c0d9fdc",
"b012c50e2e87355a919a35108310b1cd5bcf81bdc2f30e4384f0f6e54966ed63",
"c620e76b66d6c72ebb2d8736ced1608e64a... | 1.543 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N[C@H]4CC[C@H](Nc5ccccn5)CC4)cc3n2)cc1Cl | 2c3b836d411e12154c79d7b333897c64f77e5bcb36ce92679b457aaf6f4397a0 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)c... | [
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de... | 1.543 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(C4=CCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl | 852325153d683dd0899def4534d02af22d43ec3a30128ba63ae3673db0669241 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)nc3n2)cc1Cl",
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)NCC(O)CN)cc4)c... | [
"4a6a8b65b9e05280c5f29f72c35499e22972f05765755e73bf8d1981fa20d33a",
"a5a455fcb0a5bb8c1cf317300b4bff03c9d1a90a0127a9738cdd1b8dac147ede",
"76c31326dbd42705c9942fe3c29f22495e3368b961f1a5f6dfe6e623f4af2d63",
"09e02f6b7a5aed9518e95902e5065d8f4bd13aa4d76a45e954b4276f4747ce50",
"f839e12de7bc28860b376f1e4daca4ec8de... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(C4=CCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl | 852325153d683dd0899def4534d02af22d43ec3a30128ba63ae3673db0669241 | [
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)... | [
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCCCC6)n5)CC4)cc3n2)cc1Cl | fbc080268d84faa160fbbff24c9159faa43fd7de8234fe56823b2d2e9769afae | [
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(NCCN4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CCN)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3cc(NCCNC(C)=O)... | [
"12d1e90ae2bde0f3d97c738976ccff289cfc006fbc0f81182d0441fa1fbc6a4a",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"c84ab45926cc00494f5103451f05b8400602403118122b1696cfcb43b7aa83c3",
"abfc943ecb139e0e99c73b1421a1a475b108e91444079818d7e997ec2d9938f0",
"a3ddffcd5ae88ce5b7e2967290b058410fd... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N6CCCCC6)n5)CC4)cc3n2)cc1Cl | fbc080268d84faa160fbbff24c9159faa43fd7de8234fe56823b2d2e9769afae | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c... | [
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl | 0288dc2fe4772d9cf5604ac42edd59c805c2cbfadb35b60a2e3b0e21493626e1 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)OC(C)(C)C)C4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"CCS(=O)(=O)N1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl",
"COc1cc(OC)c... | [
"e5834dea3cf6ded5a96a1d8a36413971bd658f28ca2740120179876da69338d7",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"b29398ac9079f7d98574a2499882bbdae845dcf3766edf923e8697071550488b",
"928e7cb64ff175caf65ef0570107291e72d53321a79b0ce6ac2f77eae1aee5e0",
"12370d4ef563f2a7eb3a2f6d791d53816bf... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl | 0288dc2fe4772d9cf5604ac42edd59c805c2cbfadb35b60a2e3b0e21493626e1 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(... | [
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de... | 1.542667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(OC4CCN(S(=O)(=O)c5nccn5C)CC4)cc3n2)cc1Cl | f4d0452996a469da5f33f11753c5303a78aaf97248f17aeac18443d6fe857679 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(... | [
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"93b4a61e44523a037e7fdbc0eb290fa21de... | 1.542 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(OC4CCN(S(=O)(=O)c5nccn5C)CC4)cc3n2)cc1Cl | f4d0452996a469da5f33f11753c5303a78aaf97248f17aeac18443d6fe857679 | [
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4O... | [
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375... | 1.542 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4C)cc3n2)cc1Cl | db6989b05a4cdc9b924b2123c6ffb553fc3b21f1fe74ac1197c635b5d54c9b5f | [
"COc1cc(OC)c(-c2cn3cc(N4CCC(N)CC4)ccc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4O... | [
"c351b3ecc7dc445900d4eb652b0d2ce63519075a05b4fa4697ea75271446761f",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"12c27105c007917cff2ebd11e226323c375... | 1.541667 |
chembl:1931473 | COc1cc(OC)c(-c2cn3ccc(NC(=O)C4CCCN4C)cc3n2)cc1Cl | db6989b05a4cdc9b924b2123c6ffb553fc3b21f1fe74ac1197c635b5d54c9b5f | [
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OCCCN(C)C)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3cc(NCCN)ccc3n2)cc1Cl",
"CCOP(=O)(CCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2cn3ccc(NC... | [
"d1da4b2acee86aad9a23b6f16ec0fb19ed4f340fae89fa4d6ca964e4779bb4ac",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"bdbd6268811ce52cbb434f0e9b82d588c16f515d7439eff5c7483a577ad04cd8",
"4a9ad4b952ecdb86aeb2c26d7dd6c8c27fef31879fc26c2806df89de2adede26",
"e577ec508dae91dbda51435021105b9016f... | 1.541667 |
chembl:1931474 | CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1 | 62cef1b94a7c6ddceff880baf824df5b81df1028f9c0fae9920566c2bd99303c | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(P(=O)(OC)OC)CC4)nc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c(N4CCNCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c... | [
"9ed2604275f12abfadd9eaf2cd68df1d566589fb8e77103aabad8f1808ed65e7",
"8a6499b298c828d454a2f32c042895f7032ecbaed3c4eea4f91c0144c4da0fdc",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"9d90ce337072589d68461389c86254f99efabac7532f76d69672c07a257f677c",
"12d1e90ae2bde0f3d97c738976ccff289cf... | 1.566667 |
chembl:1931474 | CCc1cc(OC)c(Cl)cc1-c1cn2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cc2n1 | 62cef1b94a7c6ddceff880baf824df5b81df1028f9c0fae9920566c2bd99303c | [
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl"... | [
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"4a6a8b65b9e05280c5f29f72c35499e2297... | 1.566667 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | c7cc6d8d9775a4dc578c43d48280e66ddd6279f0b124df766e1066db216964bf | [
"COc1cc(OCCN(C)C)c(-c2cn3ccc(N4CCOCC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)C(N)CCCCN)cc3n2)cc1Cl",
"COC(=O)CCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCOCC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCCN(P(=O)(OC)OC)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Cl"... | [
"a2cda0cf95832d7308fc26a5ea73dfebec36d62776b4d5bf3013160768575163",
"9728dd22e7a899dc8a016a05d5f8350aecab55c4d59ffe241e15212e341eac86",
"b41fd4567e4d5641ec2ad73d5d4cd0f20e90791371727328b91cd09f52d9ec4f",
"c81a24cbb905db9096549e007325b8643e286e21c220493cfe241fbee72e1266",
"4a6a8b65b9e05280c5f29f72c35499e2297... | 1.557667 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(N)n5)CC4)cc3n2)cc1Cl | c7cc6d8d9775a4dc578c43d48280e66ddd6279f0b124df766e1066db216964bf | [
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)CN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4... | [
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"138bec12390ebbda4259a917c1c473e8502441e8c5fdc240607f31b9239cee3e",
"12c27105c007917cff2ebd11e226323c375... | 1.557667 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl | 7102ad8af89aa8bc1010c8182e6628c6441d1f615c3af3058b8a9692b5d3744f | [
"CCOC(=O)CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCO)CC4)nc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(CCCC(=O)O)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NC(=O)CN)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(C)=O)cc3n2)cc1Cl",
"CCOP(=O)(CCN1CCCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4... | [
"f839e12de7bc28860b376f1e4daca4ec8de90ef4b13fd11273157a0c87c41c55",
"e8af03baaf161ed23304808042767b41498d1d4f1f9e111a1ccfe67280e50494",
"6b77570d97bc968963c4d82024bc9e430cb655f50b081a689c4fab85b5c5e63f",
"138bec12390ebbda4259a917c1c473e8502441e8c5fdc240607f31b9239cee3e",
"12c27105c007917cff2ebd11e226323c375... | 1.557 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)N(C)C)CC4)cc3n2)cc1Cl | 7102ad8af89aa8bc1010c8182e6628c6441d1f615c3af3058b8a9692b5d3744f | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"CCOP(=O)(CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2... | [
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"42ae013b1ba821cbe33f0fa44ea8c388f22... | 1.557 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl | c849e9d7fea412d8f9dcb4eb356b58f49d2ba0f1e2589ffc5aedcad864cdc2e7 | [
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(C)(=O)=O)C4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(NCCNC(=O)OC(C)(C)C)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(C)=O)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl",
"CCOP(=O)(CCN1CC=C(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1)OCC",
"COc1cc(OC)c(-c2... | [
"e158d42502c523830c1cbd79e783a48f31b2f04e3a2118f23de7127ed4e3cf6f",
"6ea52cfa63702579beee3ed12514f1e44126848f180f92612c15ce52f19ff8c3",
"f3508a58354dcfa99bddbeafd176e3608f15418a5467477ca632b14c5bd04947",
"5125fc59b492cba934ffa7f3754e4da3a32e91c50b58198dacf53c3f5aa2c719",
"42ae013b1ba821cbe33f0fa44ea8c388f22... | 1.556333 |
chembl:1931474 | COc1cc(OC)c(-c2cn3ccc(N4CCC(NS(=O)(=O)C(F)(F)F)CC4)cc3n2)cc1Cl | c849e9d7fea412d8f9dcb4eb356b58f49d2ba0f1e2589ffc5aedcad864cdc2e7 | [
"COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(CN)CC4)cc3n2)cc1Cl",
"COc1cc(OC)c(-c2cn3ccc(N4CCN(P(=O)(OC)OC)CC4)nc3n2)cc1Cl",
"CCCS(=O)(=O)C1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3n2)CC1",
"COc1cc(OC)c(-c2cn3ccc(N4CCC(NC(=O)CCNC(=O)OC(C)(C)C)C4)nc3n2)cc1Br",
"COc1cc(OC)c(-c2cn3cc(NCCN)c... | [
"4b161fe31f4c96d30ae805ada07fdb7623ee54e2b6993c0592fa541758cd9fe4",
"9ed2604275f12abfadd9eaf2cd68df1d566589fb8e77103aabad8f1808ed65e7",
"8a6499b298c828d454a2f32c042895f7032ecbaed3c4eea4f91c0144c4da0fdc",
"6f2a78efda238a8479c61a0ad28f9482d0b3132a67f02799bc90e04c4340fbe5",
"9d90ce337072589d68461389c86254f99ef... | 1.556333 |
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