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:1528623 | Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1 | b47932029e434362e66bc6b1a1e4c3339d0c1903959bfdf99bf524f1b57a1fdd | [
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(O... | [
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be... | 1.644667 |
chembl:1528623 | Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)n1 | b47932029e434362e66bc6b1a1e4c3339d0c1903959bfdf99bf524f1b57a1fdd | [
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)... | [
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270... | 1.644667 |
chembl:1528623 | Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1 | aac2072659fb0b7eb5a730cf9ea7e4e307a2efd8c88bdad26ca3640881db297e | [
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)... | [
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270... | 1.643333 |
chembl:1528623 | Cc1ccc(-c2ncccn2)c(C(=O)N2C3CCC2C(Nc2cnc4ccccc4n2)C3)n1 | aac2072659fb0b7eb5a730cf9ea7e4e307a2efd8c88bdad26ca3640881db297e | [
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2... | [
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f... | 1.643333 |
chembl:1528623 | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1 | 22137527b5b200e211c08d8cda485777c589940fcc842f20f32d911b249e18fa | [
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2... | [
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f... | 1.643 |
chembl:1528623 | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2c(F)cccc2-c2ncccn2)n1 | 22137527b5b200e211c08d8cda485777c589940fcc842f20f32d911b249e18fa | [
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C... | [
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e6... | 1.643 |
chembl:1528623 | Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | 2b3f831bcb85e7c38d237afc46d78720f543b79b37155bba103c90238932fc3f | [
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C... | [
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e6... | 1.642667 |
chembl:1528623 | Cc1cccc(-n2nccn2)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | 2b3f831bcb85e7c38d237afc46d78720f543b79b37155bba103c90238932fc3f | [
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C... | [
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda8... | 1.642667 |
chembl:1528623 | O=C(c1cc(F)ccc1-c1cc[nH]n1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 3f59f60f12e6516ca3bee49cc2c1b0a96108433265bfe78d05b31b700b8772b2 | [
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C... | [
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda8... | 1.641667 |
chembl:1528623 | O=C(c1cc(F)ccc1-c1cc[nH]n1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 3f59f60f12e6516ca3bee49cc2c1b0a96108433265bfe78d05b31b700b8772b2 | [
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N... | [
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b488... | 1.641667 |
chembl:1528623 | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1 | 4cf7f1af48589f771dfc5a50d6a49e157f62667b8a184d865ff6663e8cf7fc72 | [
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N... | [
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b488... | 1.641 |
chembl:1528623 | Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2cc(F)ccc2-c2ncccn2)n1 | 4cf7f1af48589f771dfc5a50d6a49e157f62667b8a184d865ff6663e8cf7fc72 | [
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(... | [
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4... | 1.641 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1 | 7fbab0ff62f10f6cf06538fac0fafdb304529fb06c4a83d1269241643477bc83 | [
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(... | [
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4... | 1.640667 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnc4ccccc4n2)C3)c1 | 7fbab0ff62f10f6cf06538fac0fafdb304529fb06c4a83d1269241643477bc83 | [
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CC... | [
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2f... | 1.640667 |
chembl:1528623 | O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 7b3e7c18fe5cbd29bb9b0dd14b18f39929b26f85b922e24757fc15f377cd3ce5 | [
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CC... | [
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2f... | 1.640667 |
chembl:1528623 | O=C(c1c(F)cccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 7b3e7c18fe5cbd29bb9b0dd14b18f39929b26f85b922e24757fc15f377cd3ce5 | [
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2... | [
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab3890... | 1.640667 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1 | 7efe8d490db333809722397077d169f5d91165f230629cde98c3b5bb76201f37 | [
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2... | [
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab3890... | 1.640333 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c1 | 7efe8d490db333809722397077d169f5d91165f230629cde98c3b5bb76201f37 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F... | [
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f64... | 1.640333 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1 | d10087a5a654ed14651de327654f5016f9ee727b0ad5f01c4b819eb5f1121a85 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F... | [
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f64... | 1.639667 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(Nc2ccc(C(F)(F)F)cn2)C3)c1-c1ncco1 | d10087a5a654ed14651de327654f5016f9ee727b0ad5f01c4b819eb5f1121a85 | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC... | [
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89... | 1.639667 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1 | 958b577dc08b0a428da88f902c98f579393a21677c957af8bc1a6972367b18fb | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC... | [
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89... | 1.639 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ncccc2C(F)(F)F)C3)c1 | 958b577dc08b0a428da88f902c98f579393a21677c957af8bc1a6972367b18fb | [
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"C... | [
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5... | 1.639 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1 | 060aeb0f7290c4492a0336270168664c8279dc546481d8e1dbe2127211f3c1b7 | [
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"C... | [
"0fc0e284b6f14795dd5431215829a32c441f737edc3c5f879773b413a6a92518",
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5... | 1.639 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c1-c1ncco1 | 060aeb0f7290c4492a0336270168664c8279dc546481d8e1dbe2127211f3c1b7 | [
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O... | [
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c5... | 1.639 |
chembl:1528623 | O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | d7207e8bed5f155a3340f4f9d54a0d901c8c847e60ed01872e23a3f976426495 | [
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O... | [
"36109ccd9045a0bcccf71ab97db1b74a977cb8ff0ce4e2e3e86e2bc9032ae8c0",
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c5... | 1.638667 |
chembl:1528623 | O=C(c1cc(F)ccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | d7207e8bed5f155a3340f4f9d54a0d901c8c847e60ed01872e23a3f976426495 | [
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)... | [
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70... | 1.638667 |
chembl:1528623 | O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 44470232a93bf381e4afb0c7d7311d023e5e6c4a9c800426b36f92bb8cbd8ed6 | [
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)... | [
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40685655b02798c55f1bea424dbc256",
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70... | 1.638667 |
chembl:1528623 | O=C(c1c(F)cccc1-c1ncccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 44470232a93bf381e4afb0c7d7311d023e5e6c4a9c800426b36f92bb8cbd8ed6 | [
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C... | [
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c... | 1.638667 |
chembl:1528623 | O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 2a3fd91d2d1fe6fb6fb92c4b2733b8719c2f7878eea951cd34b4b5eb793bb38c | [
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C... | [
"26ed93e3488d6848a5d64cab7d440bd8f08c34ba506e9794bd961ffade785410",
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c... | 1.638667 |
chembl:1528623 | O=C(c1cc(Cl)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 2a3fd91d2d1fe6fb6fb92c4b2733b8719c2f7878eea951cd34b4b5eb793bb38c | [
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1c... | [
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a16... | 1.638667 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1 | 92ca09d5a5798e61a9b71d64695090c460c54df4fc9072fc8bb2844c65db4f42 | [
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1c... | [
"8cf62ab90226119046e3cb3a7154a8867bdf1d30da12cf4c73d6c2cf31ce4729",
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a16... | 1.637667 |
chembl:1528623 | Cc1cccc(C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)c1-n1nccn1 | 92ca09d5a5798e61a9b71d64695090c460c54df4fc9072fc8bb2844c65db4f42 | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",... | [
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c... | 1.637667 |
chembl:1528623 | O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2 | 9a04f3f2b2dc7056f4848264c3b0f42977dea417c49e03628ec40d46db181a4a | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",... | [
"1dc92dac322cafa93f066deaecf37843451f1f38f1f5a093ce6cdff154d24f50",
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c... | 1.636333 |
chembl:1528623 | O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Nc1nccn3c(Br)cnc13)C2 | 9a04f3f2b2dc7056f4848264c3b0f42977dea417c49e03628ec40d46db181a4a | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)... | [
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d... | 1.636333 |
chembl:1528623 | O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 5e8047b8c2a880ecaf46bf39630a1cededb9d9843be6c8d57a6e561c13065b61 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ccc(F)cn2)C3)n1",
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)... | [
"5d4403ad386547bcba1ba024fd2445a3a92b8caff2484185ed0d3b249c84ffc3",
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d... | 1.636 |
chembl:1528623 | O=C(c1cc(F)ccc1-n1nccn1)N1C2CCC1C(COc1ccc(F)cn1)C2 | 5e8047b8c2a880ecaf46bf39630a1cededb9d9843be6c8d57a6e561c13065b61 | [
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C... | [
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d... | 1.636 |
chembl:1528623 | CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2 | 501b5793db3bbfc5f93ad2661625aa4a88e8267720f5e88ea85cb61b3260b771 | [
"CCOc1ccc(C)nc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C... | [
"40435856f94f24c747098de3efdb17a97a131b832dfc7b041b97990cc471f209",
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d... | 1.635667 |
chembl:1528623 | CCOc1ccnc(OCC)c1C(=O)N1C2CCC1C(COc1ccccn1)C2 | 501b5793db3bbfc5f93ad2661625aa4a88e8267720f5e88ea85cb61b3260b771 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1... | [
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c... | 1.635667 |
chembl:1528623 | COc1cccc(OC)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | b9a29f95ba5f75064bdfd890b59b66005f010eaac9c6a6d801a5d484f05d2bfb | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cccnn2)C3)n1",
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1... | [
"96f2147056fb0dd194524eb0ca901fe41858e297da984fe4b1b75e8bf073d78e",
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c... | 1.635333 |
chembl:1528623 | COc1cccc(OC)c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | b9a29f95ba5f75064bdfd890b59b66005f010eaac9c6a6d801a5d484f05d2bfb | [
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2cccc... | [
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5... | 1.635333 |
chembl:1528623 | Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | 4522a208ceca5cedba7d2b14d1e3efe587fa4c84e02bffa82953009123af48b1 | [
"Cc1ccc(C(=O)N2C3CCC2C(COc2nccc(C(F)(F)F)n2)C3)c(-n2nccn2)n1",
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2cccc... | [
"63e5f5d544ab2dd60cdfe624c583725d7be7430cefb333c678ec7061b868896b",
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5... | 1.635 |
chembl:1528623 | Cc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2 | 4522a208ceca5cedba7d2b14d1e3efe587fa4c84e02bffa82953009123af48b1 | [
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)... | [
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53... | 1.635 |
chembl:1528623 | O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2 | 3267e2f8b2b05998130564f308471c49e7d3074c4494919df05d4fd7124bfe6e | [
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)... | [
"61611e5a16d66b1b35b9ee02c63c8540270c28b014f0894789c1a7b8879ceb1c",
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53... | 1.634667 |
chembl:1528623 | O=C(c1cccc2ccccc12)N1C2CCC1C(COc1ccc(F)cn1)C2 | 3267e2f8b2b05998130564f308471c49e7d3074c4494919df05d4fd7124bfe6e | [
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)... | [
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa... | 1.634667 |
chembl:1528623 | COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2 | 07af980624881ef3a23caa6afecc8b2c5c7a87694698f1c627892cbbc5330bd5 | [
"Cc1coc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)... | [
"b0b3168b4170993c8431f6ce2280394127f98fcacb422ca22012ff9ef5c5b861",
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa... | 1.633667 |
chembl:1528623 | COc1cccc(-c2ncccn2)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2 | 07af980624881ef3a23caa6afecc8b2c5c7a87694698f1c627892cbbc5330bd5 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3C... | [
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82... | 1.633667 |
chembl:1528623 | Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1 | cfb03841b690d9f56783c69bf943ed48e9e8633182e4229579409cb111f84c54 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccncn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3C... | [
"044d1c0bc4b04fe457f6bf55d8f7cf479e69aa6c7059d8721b792764429549c6",
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82... | 1.633667 |
chembl:1528623 | Cc1cc(-c2ccc(C)nc2C(=O)N2C3CCC2C(COc2ccc(F)cn2)C3)on1 | cfb03841b690d9f56783c69bf943ed48e9e8633182e4229579409cb111f84c54 | [
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC... | [
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e94037650... | 1.633667 |
chembl:1528623 | O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2 | bb6f4ed77d45228b53aaafae868309e2c82040ecc8b050b91b40cc45f43e0cd4 | [
"CN(c1cnc(C(F)(F)F)cn1)C1CC2CCC1N2C(=O)c1cccc(F)c1-c1ncccn1",
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC... | [
"8e43077cb76b57f77f592c35d9c8814cda81696da4b10d44e2b392e1ca263462",
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e94037650... | 1.632667 |
chembl:1528623 | O=C(c1cccc(F)c1-c1cnccn1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2 | bb6f4ed77d45228b53aaafae868309e2c82040ecc8b050b91b40cc45f43e0cd4 | [
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc... | [
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441... | 1.632667 |
chembl:1528623 | Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1 | 319f4c904d6fef08a20419b951c801f896f91dc6dd68da12af328f681fd574d9 | [
"Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccc(C)nc2-n2nccn2)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(C(F)(F)F)cn1)C2",
"Cc1ccc2nccn2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccn2ccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(N2CCNCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ccc(F)cn1)C2",
"Cc... | [
"2b8c02902d2f3c6a9ccf486c1220ab2b48822aeafee58748db4e242fef3d04ca",
"d94db68cefb332689168cbfd14ab6d50f89f728034b8e6c8de5187cf86df45d3",
"e958358280dce37a463d061032e29c68a168803e94062a7562d68d020f372796",
"515ea2ffa8807a7f0a6787e40ea05eeadb5601cef8c45a785cc877ac4bede677",
"0fc0e284b6f14795dd5431215829a32c441... | 1.632667 |
chembl:1528623 | Cc1cccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-n2nccn2)n1 | 319f4c904d6fef08a20419b951c801f896f91dc6dd68da12af328f681fd574d9 | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C... | [
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977... | 1.632667 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1 | 1bad046e47e176692296cba4356b332561b5f35dceaf7afc311f7e0319a2891c | [
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1cnc3ccccc3n1)C2",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2cnccn2)C3)n1",
"CCOc1ncc(-c2ccccc2)cc1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"COC(=O)c1cnc(NC2CC3CCC2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ncc(F)cn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C... | [
"09cb13eaf193692e39cc3183c06ceba07a4286fbaeda4627fed41570663984c1",
"cd797d064c76d299c8c9b41b2766591a4d5daa2262efeeab5a350f926365283e",
"f4fb1ed2df616dcb13ed4bbc598e86e154c2b00f6adece9224846c878b4f2600",
"fc30614a06906da50ef26facdc1824dde53eb44f09950784e41ca8bf3375f5cf",
"36109ccd9045a0bcccf71ab97db1b74a977... | 1.632333 |
chembl:1528623 | Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccc(Br)cn2)C3)n1 | 1bad046e47e176692296cba4356b332561b5f35dceaf7afc311f7e0319a2891c | [
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=... | [
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40... | 1.632333 |
chembl:1528623 | O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2 | cea19ee59ae858ab274580636cf38760e9e604e20faa5ef224be6dd78eb57dd3 | [
"Cc1ccc2ncc(C)n2c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(Oc1ncc(C(F)(F)F)cn1)C2",
"COc1cccc(-c2c(C)cnn2C)c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(N2CCN(C)CC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"CCOc1ccc(C)nc1C(=... | [
"6825e7beabb278b00dfc6c7ebdc8c4c9e2fa78a3f307a24c572c15c2ccfabe79",
"98964c15c9acf35c22dc1d014fbffc114c58178b0af6f9a36b9253f576befcda",
"6c9cb367b275a634cb4095ebb2ab7f6168d34c9e60f9e5b0ada8b654da7820b6",
"ff399b820cb3201b68c2d6b88b386d824aa8686b1bfdffca007e0038fe75d732",
"cbb8f3bd86c4cc9f3ebd57d0bdcd6bd5c40... | 1.632 |
chembl:1528623 | O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(COc1cccc(C(F)(F)F)n1)C2 | cea19ee59ae858ab274580636cf38760e9e604e20faa5ef224be6dd78eb57dd3 | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3C... | [
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08... | 1.632 |
chembl:1528623 | CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 | 6c4d09b14d5163f2b06856fe2614c5b25437b930ec0e7fe8ba2911a7a7ce988f | [
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)n1",
"Cc1nc2sccn2c1C(=O)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccnn2C)C3)n1",
"Cc1ccc(N2CCOCC2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1",
"Cc1ccc(-n2nccn2)c(C(=O)N2C3C... | [
"89930909d6fa3919baedfc9715ad4ab38904f07519acd1e989298aa64d7056e7",
"415999c57362169c3175f63f495c5c99c70468338f1f4a4a02d11c65cee361fe",
"3681e2e80df961ea6c6913cbc4210c3c51d5ed170599dfe37a24d74d93670018",
"0d0020e25910a43ee85f87dbcb7222c4e82730d8c8f60343a92a11836ae8069f",
"26ed93e3488d6848a5d64cab7d440bd8f08... | 1.632 |
chembl:1528623 | CCOc1ncc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2 | 6c4d09b14d5163f2b06856fe2614c5b25437b930ec0e7fe8ba2911a7a7ce988f | [
"CCOc1ccnc(Cl)c1C(=O)N1C2CCC1C(COc1ccccn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(Nc2cnc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1",
"O=C(c1cccc(F)c1-c1ccnnc1)N1C2CCC1C(Nc1cnc(C(F)(F)F)cn1)C2",
"COc1c(F)cccc1C(=O)N1C2CCC1C(Nc1ncc(C(F)(F)F)cn1)C2",
"Cc1ccc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)n1",
"Cc1ccc(C(=O)N2C3CCC2C(COc2nc... | [
"789d07cde0f56daaa9339ad1aec7b6f6f6436c22b7d078256809a8484a508068",
"80101f4f7a5fede239dedf39c500921e45c84cb244df3dfb40e7befb00d66ecb",
"e921ccd1898af4d7c7829e8120e77c95c1c534456e4d2742ae11c3b3dff3baea",
"b97f4a41a5cedfb00c3157f3b9e940376503e4ed11ba86279269eea2696fa398",
"8cf62ab90226119046e3cb3a7154a8867bd... | 1.632 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 8e89d3c265ac11fb2de4e7400fbbc7c470e852764262213c47f23d464430fdb0 | [
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O)O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)CCc1... | [
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54ceafb313f14241a5c18f0bc46a160670",
"2044dfc27bb11124e3d7f521b4af09125ad8a7c33a2d5f17cfb10a5f8e7e0a66",
"52bd50101096ced90daf88027ed8b3bd6e9... | 1.66 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 8e89d3c265ac11fb2de4e7400fbbc7c470e852764262213c47f23d464430fdb0 | [
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc... | [
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed6... | 1.66 |
chembl:1535880 | O=C(O)CCC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)Nc1cccc(CC(=O)O)c1 | 2f4067f36f417b3671802836134418834e192f8e67db7a457e8edb72e3279ba2 | [
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc... | [
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed6... | 1.649 |
chembl:1535880 | O=C(O)CCC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)Nc1cccc(CC(=O)O)c1 | 2f4067f36f417b3671802836134418834e192f8e67db7a457e8edb72e3279ba2 | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(... | [
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494... | 1.649 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 87db3e6cf7b8fbefc6ff78978124bca10c9a485959b5816c54a2f1fc4f1fd81b | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(... | [
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494... | 1.640333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 87db3e6cf7b8fbefc6ff78978124bca10c9a485959b5816c54a2f1fc4f1fd81b | [
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O... | [
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4d... | 1.640333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 2fc1c74811fa1d2e7b835ef568976e642995600a8c41055ab8e962f8ac78c03d | [
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O... | [
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4d... | 1.639667 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 2fc1c74811fa1d2e7b835ef568976e642995600a8c41055ab8e962f8ac78c03d | [
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O... | [
"4489a950c6e219dcb85e2eb52a489157faf18de8cb423191a40cd2c130439a79",
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54cea... | 1.639667 |
chembl:1535880 | CCC(NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)NC(CCC(=O)O)C(N)=O | 8f1e804a951b071c26dc056c6c4437d20b4b5486139032c3155c04f3ddb77820 | [
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O... | [
"4489a950c6e219dcb85e2eb52a489157faf18de8cb423191a40cd2c130439a79",
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54cea... | 1.637 |
chembl:1535880 | CCC(NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(=O)NC(CCC(=O)O)C(N)=O | 8f1e804a951b071c26dc056c6c4437d20b4b5486139032c3155c04f3ddb77820 | [
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1... | [
"00b1fa2644a82bf584a49695ab80d610aa014951504d03cd6a52fad7382a3068",
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56... | 1.637 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 09274e648eadb956f76c597fe8b4cd2801197a8f129d7a2cc42fcf66bb6a4527 | [
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1... | [
"00b1fa2644a82bf584a49695ab80d610aa014951504d03cd6a52fad7382a3068",
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56... | 1.635667 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 09274e648eadb956f76c597fe8b4cd2801197a8f129d7a2cc42fcf66bb6a4527 | [
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc... | [
"870f55b4efcbabfaf0b307e7874f821ae3fd4932fd354b04d70a0791bc350960",
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e... | 1.635667 |
chembl:1535880 | CCC(NC(=O)CCc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | 3b7d41d849999cec3dddd0e2e68dfa8865aef95867f87cb880ce7f29ef28ea25 | [
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc... | [
"870f55b4efcbabfaf0b307e7874f821ae3fd4932fd354b04d70a0791bc350960",
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e... | 1.635333 |
chembl:1535880 | CCC(NC(=O)CCc1ccc(-c2nc3ccccc3s2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | 3b7d41d849999cec3dddd0e2e68dfa8865aef95867f87cb880ce7f29ef28ea25 | [
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs... | [
"9e86b3c9e6fb719381f711fa5d0d66627b69b70f10114d402ca39b5795e8f927",
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc6907... | 1.635333 |
chembl:1535880 | NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O | ae2fc09e068ae96535b91d33eb0950426ee61000febaf8601c747565f21d12aa | [
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs... | [
"9e86b3c9e6fb719381f711fa5d0d66627b69b70f10114d402ca39b5795e8f927",
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc6907... | 1.632667 |
chembl:1535880 | NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O | ae2fc09e068ae96535b91d33eb0950426ee61000febaf8601c747565f21d12aa | [
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)c1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1"... | [
"fcd68a33580eb0c2c8b587f9f910b06ed2dcbe5e4f9a3327f526a42ca23b486c",
"bee5a5b6f470b2832ac26dde96af053260dd24fcf9cdc0dc47462f9c845a8955",
"4489a950c6e219dcb85e2eb52a489157faf18de8cb423191a40cd2c130439a79",
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b3... | 1.632667 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)s2)cc1 | cb16c75929bea7924af7a4401c4fccf0fec513f8edbb16ed19878ca2f1e93b5d | [
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)c1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1"... | [
"fcd68a33580eb0c2c8b587f9f910b06ed2dcbe5e4f9a3327f526a42ca23b486c",
"bee5a5b6f470b2832ac26dde96af053260dd24fcf9cdc0dc47462f9c845a8955",
"4489a950c6e219dcb85e2eb52a489157faf18de8cb423191a40cd2c130439a79",
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b3... | 1.632333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)s2)cc1 | cb16c75929bea7924af7a4401c4fccf0fec513f8edbb16ed19878ca2f1e93b5d | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2c... | [
"2044dfc27bb11124e3d7f521b4af09125ad8a7c33a2d5f17cfb10a5f8e7e0a66",
"52bd50101096ced90daf88027ed8b3bd6e977779ca90184706bde10f86052c9d",
"00b1fa2644a82bf584a49695ab80d610aa014951504d03cd6a52fad7382a3068",
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75a... | 1.632333 |
chembl:1535880 | NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 497cecc8ad9271c1cfe1fa567e20c8fb46f53b72895b87ee76caeb7643ea0759 | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2c... | [
"2044dfc27bb11124e3d7f521b4af09125ad8a7c33a2d5f17cfb10a5f8e7e0a66",
"52bd50101096ced90daf88027ed8b3bd6e977779ca90184706bde10f86052c9d",
"00b1fa2644a82bf584a49695ab80d610aa014951504d03cd6a52fad7382a3068",
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75a... | 1.632333 |
chembl:1535880 | NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 497cecc8ad9271c1cfe1fa567e20c8fb46f53b72895b87ee76caeb7643ea0759 | [
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(... | [
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed65daebc5fc14bd77a97e5ac3eb24d5",
"870f55b4efcbabfaf0b307e7874f821ae3fd4932fd354b04d70a0791bc350960",
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b2097... | 1.632333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 9033808151f52e91d56e582e04eaeddd5da736072df3f0f54aec3705bc7e8bc4 | [
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(... | [
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed65daebc5fc14bd77a97e5ac3eb24d5",
"870f55b4efcbabfaf0b307e7874f821ae3fd4932fd354b04d70a0791bc350960",
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b2097... | 1.631333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 9033808151f52e91d56e582e04eaeddd5da736072df3f0f54aec3705bc7e8bc4 | [
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1C... | [
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494f5a173183e04fa5a194eef2d19599",
"9e86b3c9e6fb719381f711fa5d0d66627b69b70f10114d402ca39b5795e8f927",
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232... | 1.631333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 5f193c7467c38c98d465a28e732d8dc1e526ada73a91df63e672589bb3da8aab | [
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1C... | [
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494f5a173183e04fa5a194eef2d19599",
"9e86b3c9e6fb719381f711fa5d0d66627b69b70f10114d402ca39b5795e8f927",
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232... | 1.631 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 5f193c7467c38c98d465a28e732d8dc1e526ada73a91df63e672589bb3da8aab | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)n1",
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)c1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2c... | [
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4dbbb4670a93d15d2debb0dcb8f5337",
"fcd68a33580eb0c2c8b587f9f910b06ed2dcbe5e4f9a3327f526a42ca23b486c",
"bee5a5b6f470b2832ac26dde96af053260dd24fcf9cdc0dc47462f9c845a8955",
"4489a950c6e219dcb85e2eb52a489157faf... | 1.631 |
chembl:1535880 | NC(=O)C(CCCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | a273b3c5e183b0c1d1e02dfd86ed634b5da2330d59850b56fe4f858ee27b74cf | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)n1",
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)c1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2c... | [
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4dbbb4670a93d15d2debb0dcb8f5337",
"fcd68a33580eb0c2c8b587f9f910b06ed2dcbe5e4f9a3327f526a42ca23b486c",
"bee5a5b6f470b2832ac26dde96af053260dd24fcf9cdc0dc47462f9c845a8955",
"4489a950c6e219dcb85e2eb52a489157faf... | 1.629667 |
chembl:1535880 | NC(=O)C(CCCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | a273b3c5e183b0c1d1e02dfd86ed634b5da2330d59850b56fe4f858ee27b74cf | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O)O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC... | [
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54ceafb313f14241a5c18f0bc46a160670",
"2044dfc27bb11124e3d7f521b4af09125ad8a7c33a2d5f17cfb10a5f8e7e0a66",
"52bd50101096ced90daf88027ed8b3bd6e977779ca90184706bde10f86052c9d",
"00b1fa2644a82bf584a49695ab80d610aa0... | 1.629667 |
chembl:1535880 | CC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | ec3c6c0f7a09013024c20fc824ec20ef53b023699415860071ddafcbf5665a3c | [
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O)O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)CCC(NC(=O)C(CCC(N)=O)NC(=O)CCc1cc(-c2ccc(-c3ccccc3)cc2)no1)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC... | [
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54ceafb313f14241a5c18f0bc46a160670",
"2044dfc27bb11124e3d7f521b4af09125ad8a7c33a2d5f17cfb10a5f8e7e0a66",
"52bd50101096ced90daf88027ed8b3bd6e977779ca90184706bde10f86052c9d",
"00b1fa2644a82bf584a49695ab80d610aa0... | 1.628333 |
chembl:1535880 | CC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | ec3c6c0f7a09013024c20fc824ec20ef53b023699415860071ddafcbf5665a3c | [
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(C... | [
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed65daebc5fc14bd77a97e5ac3eb24d5",
"870f55b4efcbabfaf0b307e7874f821ae3f... | 1.628333 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 079f05a5a73814ae8c7471532ed2a8ec0da4de52674eb33d898e5d28f0066989 | [
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)NC(CCC(=O)O)C(N)=O",
"NCCCCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(C... | [
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f48ee6df127290f22c25e43b753edb",
"a87dfb15727b454f62f7ddae4e0b72aaed65daebc5fc14bd77a97e5ac3eb24d5",
"870f55b4efcbabfaf0b307e7874f821ae3f... | 1.626 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | 079f05a5a73814ae8c7471532ed2a8ec0da4de52674eb33d898e5d28f0066989 | [
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC... | [
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494f5a173183e04fa5a194eef2d19599",
"9e86b3c9e6fb719381f711fa5d0d66627b6... | 1.626 |
chembl:1535880 | CC(C)CC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | 2ed9d975c103088a1f4dff1d4a2c54a38b4b24c26fb4274d47cfd2a577ea2a57 | [
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC... | [
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6ff548b7a1e7eefcad64b552615d671",
"bbe86819b4782b65addae5dadbf43b5f494f5a173183e04fa5a194eef2d19599",
"9e86b3c9e6fb719381f711fa5d0d66627b6... | 1.623 |
chembl:1535880 | CC(C)CC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)NC(CCC(=O)O)C(N)=O | 2ed9d975c103088a1f4dff1d4a2c54a38b4b24c26fb4274d47cfd2a577ea2a57 | [
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)n1",
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)... | [
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4dbbb4670a93d15d2debb0dcb8f5337",
"fcd68a33580eb0c2c8b587f9f910b06ed2d... | 1.623 |
chembl:1535880 | O=C(O)CCC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N1CCCC(CC(=O)O)C1 | 750ee44fe2d4f790675508bcce64c7798e857ad4efb9b274b318bd7ade88b53b | [
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"Cn1ccc(-c2ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc2)n1",
"COc1cccc(-c2ccc(CCC(=O)NC(CCC(=O)... | [
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661ac1e087a74bf5d1e51ec2c73c2767",
"91fbfa4706d364c53543a9f792ccc1eff4dbbb4670a93d15d2debb0dcb8f5337",
"fcd68a33580eb0c2c8b587f9f910b06ed2d... | 1.621333 |
chembl:1535880 | O=C(O)CCC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N1CCCC(CC(=O)O)C1 | 750ee44fe2d4f790675508bcce64c7798e857ad4efb9b274b318bd7ade88b53b | [
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O)O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)... | [
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54ceafb313f14241a5c18f0bc46a160670",
"2044dfc27bb11124e3d7f521b4af09125ad... | 1.621333 |
chembl:1535880 | CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O | 21089989034d982fd2a01bfe7c6411341269adc8b6db07973e27def2aa2ba9b7 | [
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(C(=O)O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)... | [
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b0711309bdd6702a2c9497c1586883541",
"4b35f85afc8249fd1c52ab99e610ff54ceafb313f14241a5c18f0bc46a160670",
"2044dfc27bb11124e3d7f521b4af09125ad... | 1.620667 |
chembl:1535880 | CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O | 21089989034d982fd2a01bfe7c6411341269adc8b6db07973e27def2aa2ba9b7 | [
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3... | [
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f... | 1.620667 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 7128ad05a69fae2d05e28ee6766898836ca1ce31b240a33fcd8c6b68bfae5e10 | [
"NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1",
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(COc2ccccc2)cc1",
"NC(=O)CCC(NC(=O)CCc1ccc(-c2cc(-c3ccccc3... | [
"a800b18c87affeacbfc2436e455d8c93aabba4645adb42656c1133bad72d9064",
"5e05d238936509355581f4555e224f4f75ae7d6e59a647a72a0094413bd95b3a",
"08b95b5a66463ca766c57a11a7b58ddafb26c1f00bdd17d76af89fc318a593a4",
"87ed094d488a20f2383776ebd5d37e91c56a15e82eb4049b3624aa7781387058",
"b6818b4a2358ee61cf3a991e8ab23af1e1f... | 1.620333 |
chembl:1535880 | NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1 | 7128ad05a69fae2d05e28ee6766898836ca1ce31b240a33fcd8c6b68bfae5e10 | [
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)... | [
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6f... | 1.620333 |
chembl:1535880 | NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O | 748339e6b6b30751e4a444f1209e4ec92ffc68a0db4a9ef948c1190545d9c68f | [
"Cc1ccsc1-c1ccc(CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(N)=O)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(CO)c2)cc1",
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(O)c2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)... | [
"7aa4632e4f49bdef9575516d51277756b2e1a7e4dae5630ae5e84e7b953fafac",
"f1422aff9bb1a2d110fd99a194c255b20977837e468e5863661df208d143a0e4",
"1956cb03c59e20c02fd72def377c3303818ba18fba0c4c87c4cabfda19a98165",
"708f6975c5851c3737516c167cece18410e46b39c7552c3f9708c821e9e124f3",
"3682b1fda21a3bdc32736c399eec21c3e6f... | 1.620333 |
chembl:1535880 | NC(=O)CCC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O | 748339e6b6b30751e4a444f1209e4ec92ffc68a0db4a9ef948c1190545d9c68f | [
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-... | [
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661... | 1.620333 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | e5dd1a9f93c996c230deb6a3f5ee83326190c08560ba17b6f534221cfaee30c0 | [
"CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1)C(N)=O",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCCOC=O)NC(=O)CCc1ccc(-c2cc(-... | [
"8e02dc429188463eab3a3b0bb962c1b1154af5e18c4724d63e45699bcca1bfb1",
"041ef2e3319ba7d8bdb6e193380d3b56232a3d53ccf6cd42b5477b0295ceb199",
"1f2942aa3605e75e4549db2911db37af0b10fa509d70e6ee8364a3b266a88658",
"0caa06589078e605e4dceadb0baa1dc69079f8a1e749e742072e737910e4b081",
"18c5a11ac2cd6f95a0c7e0cdb5dd2e27661... | 1.62 |
chembl:1535880 | NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1 | e5dd1a9f93c996c230deb6a3f5ee83326190c08560ba17b6f534221cfaee30c0 | [
"CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1)C(N)=O",
"NC(=O)C(CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1",
"NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1",
"O=C(O)CCC(NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC(CC(=O)O)C1",
"NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CCc1ccc(-c2cccc(Cl)c2)cc1"... | [
"bee5a5b6f470b2832ac26dde96af053260dd24fcf9cdc0dc47462f9c845a8955",
"4489a950c6e219dcb85e2eb52a489157faf18de8cb423191a40cd2c130439a79",
"d3d599322876a5496035aaea005202098c912f239801a8e6185301be820378f3",
"bcc49f01ba08faab2ed28c520f94a41a1b30a3f973aea75a81453ed26ae2358f",
"b29e8c6b12595ffefe492ce920c37a2b071... | 1.62 |
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