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:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1cccc(Br)c1)=NO | f80796abd9663e448e379f0277762f5e0c15b701ae33e9187537cff00b373547 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(... | [
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8... | 1.654 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1cccc(Br)c1)=NO | f80796abd9663e448e379f0277762f5e0c15b701ae33e9187537cff00b373547 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1c... | [
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d8... | 1.654 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2cccc(Br)c2)=NO)s1 | 4c2206462541b4f65bf7254fedc290f423d8df47f888650ab50c7f326f47ec1c | [
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1c... | [
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d8... | 1.653 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)C(Cc2cccc(Br)c2)=NO)s1 | 4c2206462541b4f65bf7254fedc290f423d8df47f888650ab50c7f326f47ec1c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a0... | 1.653 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | d88ac4d70472abc4c943e5b300b5ea233d1af1d910ee2576cb1e134bad78955c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC... | [
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a0... | 1.633667 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | d88ac4d70472abc4c943e5b300b5ea233d1af1d910ee2576cb1e134bad78955c | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2cccc... | [
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.633667 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 5fe35e46c73a99f071ea632c1f68438743f4e4d7976eb0d6ce240e3f4bb4f50c | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2cccc... | [
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc9... | 1.631 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 5fe35e46c73a99f071ea632c1f68438743f4e4d7976eb0d6ce240e3f4bb4f50c | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1... | [
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cb... | 1.631 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)cc1)=NO | 8a29efa116e5a44cd44f5c084ea61c38b0d1a7a9dcfa8d938970d5cc3d747daa | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1... | [
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cb... | 1.630333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)C(Cc1ccc(O)cc1)=NO | 8a29efa116e5a44cd44f5c084ea61c38b0d1a7a9dcfa8d938970d5cc3d747daa | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"N... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264f... | 1.630333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 25637d94d3b44445417e48d5287ed81529d6964d761afaace7458a3a5d2323a9 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"N... | [
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264f... | 1.625333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccc(O)c(Br)c2)=NO)cc1 | 25637d94d3b44445417e48d5287ed81529d6964d761afaace7458a3a5d2323a9 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1cc... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.625333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | a8e0c764934c3af44fa6f9f719e55e70f89186b4e52e5c1fe2dc6aa973ea39a3 | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1cc... | [
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a... | 1.621667 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1 | a8e0c764934c3af44fa6f9f719e55e70f89186b4e52e5c1fe2dc6aa973ea39a3 | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fed... | 1.621667 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/OC1CCCCO1 | e165800f9f72f2a0d34338d8521354b616e8bc69e4ac1664525d52b9ceb04e4a | [
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2... | [
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fed... | 1.619333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/OC1CCCCO1 | e165800f9f72f2a0d34338d8521354b616e8bc69e4ac1664525d52b9ceb04e4a | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1cccc... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f32... | 1.619333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccccc2)=NO)cc1 | 6bfefa6612f7a0f7fcd09b2382ab9e16d61152202e7fd60f91a6fc14e27188ab | [
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1cccc... | [
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f32... | 1.619333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CNC(=O)C(Cc2ccccc2)=NO)cc1 | 6bfefa6612f7a0f7fcd09b2382ab9e16d61152202e7fd60f91a6fc14e27188ab | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885... | 1.619333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/OC1CCCCO1 | 71d430504262b8450c4f3ed1aa641120f5e28ac0fd5b0871f4712b27c7bc4634 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O... | [
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885... | 1.616333 |
chembl:1834733 | NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/OC1CCCCO1 | 71d430504262b8450c4f3ed1aa641120f5e28ac0fd5b0871f4712b27c7bc4634 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=... | [
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37... | 1.616333 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=... | [
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37... | 1.614 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccc(O)cc2)=NO)cc1 | e59157555d856b359b323c7a2eb79caa071b2a5b8f3b92c1805d30a49a110c3a | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.614 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)s1 | cc275b8e0751853c70334d5541703d8e164d8bc8140db3abb4aaf7c3fdd9720d | [
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c... | [
"05299ffd649ac3e30f721b67293c4e7ee72613c3bd76b6c1a9e2ae8864d6bc7e",
"2c671d46374d9c98c40982aa525b8056f328beec0587ebbd3c7820e601badaba",
"bef9a8cdd726460995ceb170354b6e61dc97146e2f34f39e0ac0b68eeccdedee",
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd... | 1.612667 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)s1 | cc275b8e0751853c70334d5541703d8e164d8bc8140db3abb4aaf7c3fdd9720d | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2c... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e... | 1.612667 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | 46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)CCNC(=O)/C(Cc1cccc(Br)c1)=N/OC1CCCCO1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2c... | [
"e11dd4b39969bcf83c49885eed87819dbe4757130b79d91f7ac3554a8f54c451",
"b058f838d1fac314c91c18885ac474d6885b6dd0a73d49b8009dc94eedab7a95",
"cd6a081d70870053943c4c5d55ffea210cbe50ef452524d49dda22fa6683a22a",
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e... | 1.612 |
chembl:1834733 | NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2cccc(Br)c2)=NO)cc1 | 46f792a8ba1f9e8a90dff707ebff73f9b740604de716ba08635dec855cc893f5 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.612 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1 | 877dbd9b1796a4c8201e260a6b449fe49e9e140f378b2d3ac630d0a35f46f5e8 | [
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)C(Cc2cccc(Br)c2)=NO)cc1",
"NS(=O)(=O)CCNC(=O)C(Cc1ccccc1)=NO",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c... | [
"09dba921dcea8a17292bc32911659283bab1b3452b24bc5c6d7641fd14e8672f",
"642fc525757041535925733e254816cdf37b3c96c2f46e03a82f9965e1b7d896",
"f19aa719c8f13004a4c9fbfd643be80264fc7dc8a91e4efaa3ac7319969a2445",
"ec85f76e51047c9137f917c27b4b94b20d8d629601906e5533135a0869f4a414",
"05299ffd649ac3e30f721b67293c4e7ee72... | 1.611 |
chembl:1834733 | NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1 | 877dbd9b1796a4c8201e260a6b449fe49e9e140f378b2d3ac630d0a35f46f5e8 | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"... | [
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.611 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)s1 | f527001b5d28d5548673bd15b6f244b79daa1e8c00a93f34dc6c9fc48e24662b | [
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1",
"... | [
"13d5687cd397fd5019ece760fcdd06f1843103229bedb89e9a8885429d6f3bf7",
"9fcb9ed7ca4671ed47eaa1d701f3ff01ffd9a83ddeb5d4ae699e15175f40ecbc",
"7237e0e7694a46cb4b0845c04b4177b0f0a3102e31c3158b7a84b0d04420fc4f",
"126a5aaae77a27f7504d93e045eb7dc15d813ce3ea20e4297fa7c37992e59730",
"e11dd4b39969bcf83c49885eed87819dbe4... | 1.610333 |
chembl:1834733 | NS(=O)(=O)c1nnc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)s1 | f527001b5d28d5548673bd15b6f244b79daa1e8c00a93f34dc6c9fc48e24662b | [
"NS(=O)(=O)c1ccc(CCNC(=O)C(Cc2ccccc2)=NO)cc1",
"NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OC2CCCCO2)cc1",
"NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)c(Br)c2)=N/OCc2ccccc2)cc1",
"NS(=O)(=O)c1c... | [
"0bbb84c66ad693080dc6ad01061b5cc9758adc29051dcbecc971d878c2c1316e",
"48a1c7d891dbfe7100bf2202b587546655e67266ca1f56a7a61c5b81698cbcba",
"5b640069360763920d93c348dff02b70fedbf112a9fd88c3bd838bc866c20b57",
"d337db3b39fbe026ff28a2aec65c80a19a052665672b918d7b60b225b4ad44e2",
"09dba921dcea8a17292bc32911659283bab... | 1.610333 |
chembl:1841557 | CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c(C(C)C)c1 | 9e528c223fe18b87c7fe0c1c7e700a0c39797979718bef30f663b3686882524d | [
"O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)CCCCl)cc12",
"CS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"Cc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"CC(C)(C)c1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3)cc12",
"CCCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1"
] | [
"1bfd413a93d722dcbdbaaf1e12afc939685aafdad98647196de80548614c8b1d",
"b4844039baaf00d879e97983c187dbe1efc4a640893d4dfb3a6723a2da481182",
"84858852b69b0e7de30d437263ec0e6cd698c463d8e69b7b5c07271e4ec2eb4b",
"6b9504bb8ff0dfd0e64d629a37db4bb2082588e040dd68e51699bb74be861244",
"0387a58a10132d7269a61c9996c189f8ca7... | 1.576667 |
chembl:1841557 | CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c(C(C)C)c1 | 9e528c223fe18b87c7fe0c1c7e700a0c39797979718bef30f663b3686882524d | [
"COc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12",
"CCCCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(F)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Br)cc3)cc12",
"O=c1oc2ccccc2c2n... | [
"ce6286717152442c1096cbd08d61b629844e9d868fe45bca5c770f96832da882",
"8baaf6e9d5939e9d2b73a61b019fb54a02820af2d06d4ecb26748ab46b6f2d46",
"15f524a4d8eb1b4eb79c322c5ff48301bf514cd32f11402ad22aba25ed89db58",
"5d2ff3f4f943980b4d7df743ed568bee498d2db16546b86cfc2783dc4d664ad9",
"adfdab0114b8e23e907693e1ab5743738a2... | 1.576667 |
chembl:1841557 | Cc1cc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c(C)c1 | 29474f63d9cb69afc91a5d924ce65e38cec563b14139c729a5e6ad9e6971f5e6 | [
"COc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12",
"CCCCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(F)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Br)cc3)cc12",
"O=c1oc2ccccc2c2n... | [
"ce6286717152442c1096cbd08d61b629844e9d868fe45bca5c770f96832da882",
"8baaf6e9d5939e9d2b73a61b019fb54a02820af2d06d4ecb26748ab46b6f2d46",
"15f524a4d8eb1b4eb79c322c5ff48301bf514cd32f11402ad22aba25ed89db58",
"5d2ff3f4f943980b4d7df743ed568bee498d2db16546b86cfc2783dc4d664ad9",
"adfdab0114b8e23e907693e1ab5743738a2... | 1.572333 |
chembl:1841557 | Cc1cc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c(C)c1 | 29474f63d9cb69afc91a5d924ce65e38cec563b14139c729a5e6ad9e6971f5e6 | [
"O=c1oc2ccccc2c2nn(S(=O)(=O)C(F)(F)F)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)C3CC3)cc12",
"CCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)CCCCl)cc12",
"CS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"Cc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1"
] | [
"b173c2750a5d6c3defd45c5fcc010a9e744f7fe57e73e7038a7fc0c93aa8fa13",
"3432ec141ed297026fb097f579da6c2ea4ee920fbfe65ebb5d6c51264be94143",
"aa3fff9c6d1520c9a477324f59d26849640f3b7fb4b87b3c85e3d28e2c260668",
"1bfd413a93d722dcbdbaaf1e12afc939685aafdad98647196de80548614c8b1d",
"b4844039baaf00d879e97983c187dbe1efc... | 1.572333 |
chembl:1841557 | Cc1ccc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c1 | 4ba31fc66a4b5c76e005142687de6eb6eee4ead790efdbd9522a79b15ed01141 | [
"O=c1oc2ccccc2c2nn(S(=O)(=O)C(F)(F)F)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)C3CC3)cc12",
"CCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)CCCCl)cc12",
"CS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"Cc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1"
] | [
"b173c2750a5d6c3defd45c5fcc010a9e744f7fe57e73e7038a7fc0c93aa8fa13",
"3432ec141ed297026fb097f579da6c2ea4ee920fbfe65ebb5d6c51264be94143",
"aa3fff9c6d1520c9a477324f59d26849640f3b7fb4b87b3c85e3d28e2c260668",
"1bfd413a93d722dcbdbaaf1e12afc939685aafdad98647196de80548614c8b1d",
"b4844039baaf00d879e97983c187dbe1efc... | 1.565667 |
chembl:1841557 | Cc1ccc(C)c(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)c1 | 4ba31fc66a4b5c76e005142687de6eb6eee4ead790efdbd9522a79b15ed01141 | [
"CC(C)(C)c1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3)cc12",
"CCCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"COc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12",
"CCCCS(=O)(=O)n... | [
"0387a58a10132d7269a61c9996c189f8ca79173123a705e22ecbbacac0e7b799",
"9e3c684620c6b9fe52206b9ad0d0d321aae9e54edcd2b96d0371d40ac772bbe7",
"f8a02a14353e55b1b428f26d0205e2ba95baa6b7e15b7568c5381d7b39b9bb2b",
"ce6286717152442c1096cbd08d61b629844e9d868fe45bca5c770f96832da882",
"8baaf6e9d5939e9d2b73a61b019fb54a028... | 1.565667 |
chembl:1841557 | O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 | f38ba45859b5ccf3781ea849efbb332f4a49327d3a88c84cef5e1bc60bd79b2b | [
"CC(C)(C)c1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3)cc12",
"CCCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"COc1ccc(S(=O)(=O)n2cc3c(=O)oc4ccccc4c3n2)cc1",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccccc3[N+](=O)[O-])cc12",
"CCCCS(=O)(=O)n... | [
"0387a58a10132d7269a61c9996c189f8ca79173123a705e22ecbbacac0e7b799",
"9e3c684620c6b9fe52206b9ad0d0d321aae9e54edcd2b96d0371d40ac772bbe7",
"f8a02a14353e55b1b428f26d0205e2ba95baa6b7e15b7568c5381d7b39b9bb2b",
"ce6286717152442c1096cbd08d61b629844e9d868fe45bca5c770f96832da882",
"8baaf6e9d5939e9d2b73a61b019fb54a028... | 1.565667 |
chembl:1841557 | O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 | f38ba45859b5ccf3781ea849efbb332f4a49327d3a88c84cef5e1bc60bd79b2b | [
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(F)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Br)cc3)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)CCCl)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)C(F)(F)F)cc12",
"O=c1oc2ccccc2c2nn(S(=O)(=O)C3CC3)cc12",
"CCS(=O)(=O)n1cc2c(=O)oc3ccccc3c2n1",
"O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12"
] | [
"adfdab0114b8e23e907693e1ab5743738a2d1088a20f04a388b92e66a72dba47",
"980919a0956593fd43bc3624a3c1a52f1f091d600cd9d6235922e6f2fccbdb38",
"0dd401f11aa890c8901fdd01e408e7e37672f10538c961b5b8e8e940d17c9bba",
"b173c2750a5d6c3defd45c5fcc010a9e744f7fe57e73e7038a7fc0c93aa8fa13",
"3432ec141ed297026fb097f579da6c2ea4e... | 1.565667 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4CC)c3n2)cc1 | c4995159b25142defe119b677cdd77fe455b3763295d93cdef6009b1d51d34a9 | [
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(Br)c3)nc21",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cc1",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=NO)nc(-c3ccccc3Br)nc21",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=S)n(-c4ccccc4)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=NO)c3[nH]c(=O)n(-c4cccc(C(=O)OC)c4)c3n2)cc1",
"CCc1nc(C(N... | [
"3f7233c194de59767803424def4f45ee00d49698496f234533e26ab52ab71b38",
"67998be30ad8518f9ed736cce0743a15ba74319ecd88c08c8ead371b8237f5c9",
"694cf2560e3095b2e3546848ca6cb6575c320db31e2a743922332104411a37af",
"e0a24eea1c659c9f3d22e65cf6e74ebc4604700034de88c104afc97711af9b3f",
"f7f83324de22c22faa74c45fa2379c74fa8... | 1.565 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4CC)c3n2)cc1 | c4995159b25142defe119b677cdd77fe455b3763295d93cdef6009b1d51d34a9 | [
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=NO)nc(-c3cccs3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc([N+](=O)[O-])c4)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3n2)c... | [
"95143090e644eb8bf0434706ed45dc8a6c7e42e2bd3230a036d4c0666c23d4d5",
"84b5c9def83ccc1602d5c768a7f0d02b78b82a4a85a55f81c3f150de6639469e",
"78ab264159a0f15e6f67f29781d284b35568422bf2094aa4bfc3e11a6702af07",
"9a7e9806ed359e845e225b91ce67655b52eb7c15e7f2109595ffe5d66841f230",
"902ebd11963027211112e7ee40fde10007d... | 1.565 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(OC)c4)c3n2)cc1 | 7752d976598853f3351413ba3b254c6e8e794a127a3e363fcf71bbd5c964c3e5 | [
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=NO)nc(-c3cccs3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccccc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc([N+](=O)[O-])c4)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3n2)c... | [
"95143090e644eb8bf0434706ed45dc8a6c7e42e2bd3230a036d4c0666c23d4d5",
"84b5c9def83ccc1602d5c768a7f0d02b78b82a4a85a55f81c3f150de6639469e",
"78ab264159a0f15e6f67f29781d284b35568422bf2094aa4bfc3e11a6702af07",
"9a7e9806ed359e845e225b91ce67655b52eb7c15e7f2109595ffe5d66841f230",
"902ebd11963027211112e7ee40fde10007d... | 1.549 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(OC)c4)c3n2)cc1 | 7752d976598853f3351413ba3b254c6e8e794a127a3e363fcf71bbd5c964c3e5 | [
"CCOc1ccc(-c2nc(C#N)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C(=O)OC)c4)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc5ccccc45)c3n2)cc1",
"CCOc1ccc(-c2nc(C#N)c3nc(NC(=O)OC(C)(C)C)n(-c4ccccc4OC)c3n2)cc1",
"CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3OC)c2n1",
... | [
"d2ea94e6b8c83104b40c8b18f76e5bb98e3cf374ae85b3375f11feeb5e07d962",
"ae2e6b85ab9825fa93bdbf96c9a97e021501ff43c87e2ce1fabf1f7c41473822",
"70a3bc824998dc8acbee345026e73b1c1c4d70057fc11df01c5c69f2a9bd5d86",
"17c6f9311f56891e534e5c57dd83e470e35b4310eefa0cd178428683e2fa09d1",
"aa4bc5ff7c3bb84f46ac5a8024ab89246a7... | 1.549 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1 | ce70ad63bd63a317f5787428e3b0175380e1de40ed0bcd45fb9d390a01d40e42 | [
"CCOc1ccc(-c2nc(C#N)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C(=O)OC)c4)c3n2)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc5ccccc45)c3n2)cc1",
"CCOc1ccc(-c2nc(C#N)c3nc(NC(=O)OC(C)(C)C)n(-c4ccccc4OC)c3n2)cc1",
"CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3OC)c2n1",
... | [
"d2ea94e6b8c83104b40c8b18f76e5bb98e3cf374ae85b3375f11feeb5e07d962",
"ae2e6b85ab9825fa93bdbf96c9a97e021501ff43c87e2ce1fabf1f7c41473822",
"70a3bc824998dc8acbee345026e73b1c1c4d70057fc11df01c5c69f2a9bd5d86",
"17c6f9311f56891e534e5c57dd83e470e35b4310eefa0cd178428683e2fa09d1",
"aa4bc5ff7c3bb84f46ac5a8024ab89246a7... | 1.549 |
chembl:1861211 | CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1 | ce70ad63bd63a317f5787428e3b0175380e1de40ed0bcd45fb9d390a01d40e42 | [
"CCOc1ccc(-c2nc(C(N)=O)c3nc(SC)n(-c4ccccc4)c3n2)cc1",
"CCOc1ccc(-c2nc(C#N)c3c(n2)n(-c2ccccc2OC)c(=O)n3C)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3c(n2)n(-c2ccccc2OC)c(=O)n3C)cc1",
"CCCCCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(OCC)cc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccoc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N... | [
"42acc99ed16eaf4b0a9d5d9ff569e30d294f4d544e566e64c7a85672628811d6",
"790646e4345df9daba88aeb1dd94cc5dd427dc7988c68c1153d137084c267133",
"0d383ca9f93ab7e7ef40d2bee9ae29348b733102655e6a4a5bba52814bcbd3d8",
"e431b6fa5bd346613ae344171470b09607f05ef75361439280fd46f56329d748",
"1dbd3ba425c911ab2aac38f281338458e37... | 1.549 |
chembl:1861211 | COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1O | 77323a06d4ab4d9cf0bf443192d12c53e7d9e17727eaf8a054b1b561dfe5c164 | [
"CCOc1ccc(-c2nc(C(N)=O)c3nc(SC)n(-c4ccccc4)c3n2)cc1",
"CCOc1ccc(-c2nc(C#N)c3c(n2)n(-c2ccccc2OC)c(=O)n3C)cc1",
"CCOc1ccc(-c2nc(C(N)=O)c3c(n2)n(-c2ccccc2OC)c(=O)n3C)cc1",
"CCCCCCn1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(OCC)cc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccoc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N... | [
"42acc99ed16eaf4b0a9d5d9ff569e30d294f4d544e566e64c7a85672628811d6",
"790646e4345df9daba88aeb1dd94cc5dd427dc7988c68c1153d137084c267133",
"0d383ca9f93ab7e7ef40d2bee9ae29348b733102655e6a4a5bba52814bcbd3d8",
"e431b6fa5bd346613ae344171470b09607f05ef75361439280fd46f56329d748",
"1dbd3ba425c911ab2aac38f281338458e37... | 1.549 |
chembl:1861211 | COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4OC)c3n2)cc1O | 77323a06d4ab4d9cf0bf443192d12c53e7d9e17727eaf8a054b1b561dfe5c164 | [
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(NC(C)=O)cc3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C(C)C)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccco3)nc21",
"COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(O)cc3)nc21",
"CCOC(=O)Oc1nc2c(C#N)nc(-c3ccc(OCC)cc3)nc2n1-c1ccccc1OC",
"CCOc1ccc(-c2nc(C(N)=O)c3... | [
"f7fab0e7e4eb75f2f47078ab21e7008198278fda3cc7b8bef2a307ea83754406",
"e4438e1a56fcf54894596f7a6dc3b58207df933a18ca1083ae3915d1feb8a4f1",
"b001dfd7fd51eb858dce83cb6b4bbf533223b6acef6b793b08310e8ba4d18907",
"10357b6abbf8e8c0822e8bbfb8cc08674818b8ff0ba4945c8da8ac38964524b6",
"1e7340ef9becda66f79713e0a7455703c05... | 1.549 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ccccn2)c1 | 90a4c261932b33b59d4dd08b00f00328eb33b1d3af0d865031571f1379953db7 | [
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2... | [
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328... | 1.698333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(F)cc(-c2ccccn2)c1 | 90a4c261932b33b59d4dd08b00f00328eb33b1d3af0d865031571f1379953db7 | [
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=... | [
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90a... | 1.698333 |
chembl:1873647 | Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 6414ee8f3bb71ea23d8b4f097ab827a4cdd6077314bdb3b679e442ee127f7be9 | [
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=... | [
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90a... | 1.678333 |
chembl:1873647 | Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 6414ee8f3bb71ea23d8b4f097ab827a4cdd6077314bdb3b679e442ee127f7be9 | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160... | 1.678333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)cc(Cl)c1F | 2ea143b7f2a0094d46d1a45b234650b301c3b7b8336b8407773c1f60e4cb722f | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160... | 1.675 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)cc(Cl)c1F | 2ea143b7f2a0094d46d1a45b234650b301c3b7b8336b8407773c1f60e4cb722f | [
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc39... | 1.675 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F | 15e130354f04ca73604aefb1a04c3f377119d3166b8b1efefe80a179f5c7d98d | [
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc39... | 1.667333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F | 15e130354f04ca73604aefb1a04c3f377119d3166b8b1efefe80a179f5c7d98d | [
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=... | [
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33... | 1.667333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1F | 82608cdfa09a22e607bdd738632e966f7bdda7fb3003150724fea1476c9b49d2 | [
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=... | [
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33... | 1.654 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1F | 82608cdfa09a22e607bdd738632e966f7bdda7fb3003150724fea1476c9b49d2 | [
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2cc... | [
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db... | 1.654 |
chembl:1873647 | CCc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F | 8e33967c7c0583affba4bb082e86d5b9b6a84b147d12330440dedfddba26a546 | [
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2cc... | [
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db... | 1.648667 |
chembl:1873647 | CCc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F | 8e33967c7c0583affba4bb082e86d5b9b6a84b147d12330440dedfddba26a546 | [
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F... | [
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a79... | 1.648667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1F | 8c58c1037fe560a2a472e3ac33eab7772db0da9c071ba7cc2bdf183e4d2464f4 | [
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F... | [
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a79... | 1.645333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1F | 8c58c1037fe560a2a472e3ac33eab7772db0da9c071ba7cc2bdf183e4d2464f4 | [
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2... | [
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129a... | 1.645333 |
chembl:1873647 | Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F | 1555a4b850dd016b61fd2817c04d66160269124c5c1000773277bff7af6602ea | [
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2... | [
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129a... | 1.639 |
chembl:1873647 | Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1F | 1555a4b850dd016b61fd2817c04d66160269124c5c1000773277bff7af6602ea | [
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NN... | [
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094ea... | 1.639 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1F | af9fcc093213e93b9cb45aa7df6109127c245f1145c495821d265f9ee5b30f8f | [
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NN... | [
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094ea... | 1.638 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(Cl)c1F | af9fcc093213e93b9cb45aa7df6109127c245f1145c495821d265f9ee5b30f8f | [
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2... | [
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b7... | 1.638 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F | 7d0d8248857bb7375224f457f75e145ce9402403017c01b17333212e090b6b4a | [
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2... | [
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b7... | 1.638 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F | 7d0d8248857bb7375224f457f75e145ce9402403017c01b17333212e090b6b4a | [
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2c... | [
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66... | 1.638 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccs2)c1 | 2ef27e36a27824ce8dab797719dd5f619160f1c69d213912d7d58f69b5b3bdda | [
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2c... | [
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66... | 1.635 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccs2)c1 | 2ef27e36a27824ce8dab797719dd5f619160f1c69d213912d7d58f69b5b3bdda | [
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1cc... | [
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559... | 1.635 |
chembl:1873647 | Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 4f9dc3670ed0ea0df16f90d48d87ef2ceae99a452f9200b19835799025b9d61d | [
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1cc... | [
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559... | 1.629667 |
chembl:1873647 | Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 4f9dc3670ed0ea0df16f90d48d87ef2ceae99a452f9200b19835799025b9d61d | [
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1"
] | [
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bb... | 1.629667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1F | 3837a660d4a54acca26d4fad0543d84733aab0494a3ddbd472908e1a2feddb88 | [
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1"
] | [
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bb... | 1.627333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1F | 3837a660d4a54acca26d4fad0543d84733aab0494a3ddbd472908e1a2feddb88 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc... | [
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff2567... | 1.627333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1 | a578c59b8c6ed9fce175b086d64d260d05c13ad71ac93ff19fbace732028a4b4 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc... | [
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff2567... | 1.626333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1 | a578c59b8c6ed9fce175b086d64d260d05c13ad71ac93ff19fbace732028a4b4 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccc... | [
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39b... | 1.626333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1F | 848304f857307796a35674376886150bfef6ad00c1834c730998c32cdb5e1603 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccc... | [
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532ae4f64c9174bf18be3222d45b62b2",
"f1a7ce64a6c993a4494678a0e0c0de3e39b... | 1.622 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(C(F)(F)F)c1F | 848304f857307796a35674376886150bfef6ad00c1834c730998c32cdb5e1603 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1"
] | [
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1... | 1.622 |
chembl:1873647 | O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccccc1F | 6cb4346c539abddb7324730dd57714d217927c498a7986e93f718a7f78e884c9 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1"
] | [
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35ee08e9a292be399500ae501ff6790",
"6ee53d73e42068fd2941bc3bcc3feffe5f1... | 1.619667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccccc1F | 6cb4346c539abddb7324730dd57714d217927c498a7986e93f718a7f78e884c9 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncn... | [
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563d... | 1.619667 |
chembl:1873647 | COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 806c65d5d3a6de3b258180beb983d205ecbb492044c85f99d1a34fb9672a7f2d | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncn... | [
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea1d5d580a63ec4b30f66eeeddf2c79",
"4239c8441619a2be2deb797744b5704563d... | 1.618667 |
chembl:1873647 | COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 806c65d5d3a6de3b258180beb983d205ecbb492044c85f99d1a34fb9672a7f2d | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2c... | [
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532... | 1.618667 |
chembl:1873647 | Nc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1 | 72fb2bbe2fe98baf39843eb56800b2e8f87fb646808b45a0503b0fb47625a4e8 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2c... | [
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463ed67e2d539ca20a65442c02fae2025",
"56ac60c41d5cb5437fac8bf907aebb7a532... | 1.618667 |
chembl:1873647 | Nc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1 | 72fb2bbe2fe98baf39843eb56800b2e8f87fb646808b45a0503b0fb47625a4e8 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)c... | [
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35... | 1.618667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F | a82e1bdd4a770e85ad7c72faa2f72e4989990dde20bcf8b2875093504e9b682b | [
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)c... | [
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19fde6a50a37dba1e9fbc9fda1b3390",
"4c19f62c0afbfa7d1178a9a62cbfb91dd35... | 1.618667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F | a82e1bdd4a770e85ad7c72faa2f72e4989990dde20bcf8b2875093504e9b682b | [
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1... | [
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea... | 1.618667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1 | 0aa8866ac3df9f63a0d543b9055f7e7af231d995071165caf82956397c329c04 | [
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1... | [
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328e68c8840222b660a40186cd10d60a",
"4b16619e8cbeb58015d4fd20a0f78de20ea... | 1.617667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1 | 0aa8866ac3df9f63a0d543b9055f7e7af231d995071165caf82956397c329c04 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1c... | [
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463e... | 1.617667 |
chembl:1873647 | CCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 576a7f713891d79bebb7ad3556238bb197101dd30ddbb67242ea574d866e1f36 | [
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"O=C(NNS(=O)(=O)c1c... | [
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90aac34b00c5c561c8b34e51c5f0d422",
"a07feb0b74679c3e012495a53d6421f463e... | 1.616333 |
chembl:1873647 | CCc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1F | 576a7f713891d79bebb7ad3556238bb197101dd30ddbb67242ea574d866e1f36 | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)c... | [
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19... | 1.616333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2F)c1 | 2c948e3fe8687a9e582218ceb8d547dac320650063a650b502e49f30bfba4328 | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)c... | [
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160f3ce810f2d8ad5bfd4ef5938da9f7",
"cd89c851fb6c3c12d7e2622e46f170dfb19... | 1.615333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2F)c1 | 2c948e3fe8687a9e582218ceb8d547dac320650063a650b502e49f30bfba4328 | [
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2... | [
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328... | 1.615333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1F | d700c7d287540b6b4288c2945c7ce5b31dc58c4227951cd50f3b1f2eed153e33 | [
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2... | [
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc396369657544790d77b3c0f30ad098d",
"21112364fa9e1b130712f52bb1c9f889328... | 1.612667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(F)c1F | d700c7d287540b6b4288c2945c7ce5b31dc58c4227951cd50f3b1f2eed153e33 | [
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=... | [
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90a... | 1.612667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(Cl)c2)c1 | 783dd11bff4dab4eedb718c32fb442ab3ff20d66a255b511d9795cbc4323c0f9 | [
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"CC(C)c1ccc(S(=O)(=... | [
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33ca6359ebfe4dcc3382bc3eade0d1d",
"d9b1aa45b466bf938b135a67ae9f6cfd90a... | 1.611667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(Cl)c2)c1 | 783dd11bff4dab4eedb718c32fb442ab3ff20d66a255b511d9795cbc4323c0f9 | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160... | 1.611667 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(-c2ccccc2)c1 | 459ec659451ede26c2898b76aeaba695447e9ad225d5a4dfb1638d67a8d03470 | [
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O",
"O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1ccnc(-c2ccccc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccnc2)c1",
"COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"f1a7ce64a6c993a4494678a0e0c0de3e39bbf5322c9012fe710e1e9ab0fe9af7",
"43408b238b6e55300c3fc9f9c31479bb559ed86ca52670672432548f02796cc0",
"42ff88c40854c4842eb833c4247a65094eacae81570e9af3619080ef7325ffad",
"38f2a0d5221159f16f2693d875d6d2e63db8b454369dcfd6fed48eb57844f564",
"d3cd82b0798121677b40565a1b3b329e160... | 1.610333 |
chembl:1873647 | O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(-c2ccccc2)c1 | 459ec659451ede26c2898b76aeaba695447e9ad225d5a4dfb1638d67a8d03470 | [
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc39... | 1.610333 |
chembl:1873647 | Cc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 | 8f21d2db2633df3f65a86c34c5901ec6778a963d82771adb08b7382c18bf7912 | [
"Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1",
"N#Cc1ccc(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3)c2)cc1",
"N#Cc1cccc(S(=O)(=O)NNC(=O)c2ccccc2F)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)n1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cncc(-c2ccccc2)c1",
"COc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1F",
"NC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2... | [
"6ee53d73e42068fd2941bc3bcc3feffe5f1ab2813d4e34f4f78fddd7e1c1936b",
"f737b3ef67161055de570c47a56592638bbb9129e42519852787f210e7cdd1c4",
"7e14d19c89031a0b4c228ee6e479ece20b786c141f1f387779e430dcbd738eda",
"dc54fc408cd7ed1410b4ac0cbdc46606a7981f92fec03e31e4578bd33befc1e0",
"d037d952c325ff7c48ff4002ce91111bc39... | 1.609667 |
chembl:1873647 | Cc1ccc(F)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1 | 8f21d2db2633df3f65a86c34c5901ec6778a963d82771adb08b7382c18bf7912 | [
"Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"COc1ccccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cncnc2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(F)c2)c1",
"O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccsc2)c1",
"N#Cc1cccc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c1",
"COc1ccc(-c2cccc(C(=O)NNS(=... | [
"4239c8441619a2be2deb797744b5704563dae0734a831ce965e20560a9cf36d6",
"6f0385a54c3b3f099d76610adff87ff25677850904bb713b9fdc6192a1f25145",
"5efb3ba84e28144e336577ba3953c426e66ec251b4ceec881261641818a4c1e4",
"381d09cbc4368cb196175ca5608c431129aebec6579fc0039e35fae0657e8e8b",
"facfc72bc58b164ca355c32b4beec59ee33... | 1.609667 |
chembl:1873665 | C[C@]1(Cn2ccnn2)C(C(=O)O)N2C(=O)C[C@H]2S1(=O)=O | 369f7e317476748d94b4b88894938c8911543005a64f418d630d7d469db7d009 | [
"CC(CS)C(=O)N[C@@H](B(O)O)c1ccc2ccccc2c1",
"CC(C)C[C@H](NC(=O)C(C)CS)B(O)O",
"O=C(N[C@@H](Cc1ccccc1)B(O)O)C(CS)Cc1ccccc1",
"COc1ccc(C[C@@H](NC(=O)C(C)CS)B(O)O)cc1",
"O=C(CS)N[C@@H](Cc1ccccc1)B(O)O",
"CC(CS)C(=O)N[C@H](Cc1ccc(F)cc1)B(O)O",
"CCCC(=O)NCB(O)O"
] | [
"e5f056a8541276ba155a5065ed31de54081c3ac60a698e65c98ffc9e9305774c",
"abe790cbcb073799c1a7515f857e6515c0ad01ccb4d58a97330abf39a63315bf",
"860029334884f220ecb123ba7c47679d545f1bad75b503c184e1a1cc867d0a71",
"6478a7b8a6153dfd2825a322e2d9d1886b6e015fdbc055d31e78858d10434bc4",
"118253c197244eed583f84334c4105d290c... | 1.556667 |
chembl:1873665 | C[C@]1(Cn2ccnn2)C(C(=O)O)N2C(=O)C[C@H]2S1(=O)=O | 369f7e317476748d94b4b88894938c8911543005a64f418d630d7d469db7d009 | [
"CC(CS)C(=O)N[C@H](Cc1ccccc1)B(O)O",
"CCC(=O)NCB(O)O",
"O=C(CCS)N[C@@H](Cc1ccccc1)B(O)O",
"Cc1ccc([C@@H](NC(=O)C(C)CS)B(O)O)cc1",
"CC(C)C[C@@H](NC(=O)C(C)CS)B(O)O",
"CCCC(=O)N[C@@H](Cc1ccccc1)B(O)O",
"CC(CS)C(=O)NCC(=O)O"
] | [
"01523908fce0d3c029add68de9a20fa597c89ced2410cbdec96bcd551d660fcb",
"52ba7a7da6477f42f8a181fa4a501251dc7a86b89e52490181da1047c5eb56ac",
"9db437baee59c9bd547d947d961bc0283e3ec5e2bb316649fb68d6d6ac3e3689",
"e524400721b4725d14f4a0fe22f5d4a53e1542ba5bea0381e54ff45504d4f478",
"751c9f1bceed583e2a6e4327ed67836c3e5... | 1.556667 |
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