smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=C\c2ccc(N3CCCCC3)o2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408963601 231137398 /nfs/dbraw/zinc/13/73/98/231137398.db2.gz HNHYRJHZQWDUJY-SSZFMOIBSA-N 0 0 389.377 4.618 40 10 GJCBRN Cc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409090627 231158014 /nfs/dbraw/zinc/15/80/14/231158014.db2.gz MNJMZOSFDAGGRP-MOSHPQCFSA-N 0 0 397.906 4.973 40 10 GJCBRN Cc1cccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c1 ZINC000409329924 231191085 /nfs/dbraw/zinc/19/10/85/231191085.db2.gz IVNDLBOBTFKVQN-OQLLNIDSSA-N 0 0 390.873 4.962 40 10 GJCBRN O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409342480 231192920 /nfs/dbraw/zinc/19/29/20/231192920.db2.gz FICZFLWIMLKGTB-WUXMJOGZSA-N 0 0 399.722 4.836 40 10 GJCBRN O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409343196 231193023 /nfs/dbraw/zinc/19/30/23/231193023.db2.gz CVMDOPXGEJOAGW-VXLYETTFSA-N 0 0 391.473 4.974 40 10 GJCBRN CC(NCc1ccc(Cl)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000013626893 210072914 /nfs/dbraw/zinc/07/29/14/210072914.db2.gz XXPSNIXGJZFJQD-LDADJPATSA-N 0 0 396.903 4.736 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(OC)c1 ZINC000005372184 209590931 /nfs/dbraw/zinc/59/09/31/209590931.db2.gz GYKJENKYSRNXND-CVCOPPNTSA-N 0 0 383.494 4.666 40 10 GJCBRN CCOC(=O)C(C)(C)Oc1ccc2c(c1)oc(=O)cc2-c1ccc(Cl)cc1 ZINC000001631605 209334132 /nfs/dbraw/zinc/33/41/32/209334132.db2.gz BMEKUDNQMFCMBR-UHFFFAOYSA-N 0 0 386.831 4.834 40 10 GJCBRN CCc1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 ZINC000005235990 204121115 /nfs/dbraw/zinc/12/11/15/204121115.db2.gz DFFBJJBPZRKSOX-SFQUDFHCSA-N 0 0 379.510 4.542 40 10 GJCBRN CCc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000005372239 204129125 /nfs/dbraw/zinc/12/91/25/204129125.db2.gz HBCBJQSHHPQCTQ-RGEXLXHISA-N 0 0 383.538 4.702 40 10 GJCBRN O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1C[C@@H]1CCCO1 ZINC000009188340 204302138 /nfs/dbraw/zinc/30/21/38/204302138.db2.gz XWBNNINQFXIEHP-UZNZLNSGSA-N 0 0 381.522 4.734 40 10 GJCBRN CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000038752828 205037330 /nfs/dbraw/zinc/03/73/30/205037330.db2.gz CBPUCGKDNJKPNK-IBGZPJMESA-N 0 0 380.532 4.884 40 10 GJCBRN COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cccc(OC)c2)cc1 ZINC000059843782 205180893 /nfs/dbraw/zinc/18/08/93/205180893.db2.gz NBBAANFZXBWFMQ-UHFFFAOYSA-N 0 0 390.483 4.738 40 10 GJCBRN Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000225275005 206042140 /nfs/dbraw/zinc/04/21/40/206042140.db2.gz MGWIAJLQFCIRAG-UHFFFAOYSA-N 0 0 380.532 4.804 40 10 GJCBRN CC(C)Oc1cccc(NC(=S)NCCCN2CCCc3ccccc32)c1 ZINC000225746682 206072388 /nfs/dbraw/zinc/07/23/88/206072388.db2.gz SISMINPJYIEVGW-UHFFFAOYSA-N 0 0 383.561 4.603 40 10 GJCBRN COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225654297 206064124 /nfs/dbraw/zinc/06/41/24/206064124.db2.gz BHUQQBRRWBBJAW-KRWDZBQOSA-N 0 0 383.561 4.979 40 10 GJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000041077616 206195954 /nfs/dbraw/zinc/19/59/54/206195954.db2.gz OBCYSJSNSKOGJF-CYUIRQCWSA-N 0 0 385.510 4.666 40 10 GJCBRN CCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=N)S1 ZINC000005857330 206217396 /nfs/dbraw/zinc/21/73/96/206217396.db2.gz AOVYJVTXRHYHJV-CHLNCNNDSA-N 0 0 398.875 4.938 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c(OC)c1 ZINC000020226880 210325100 /nfs/dbraw/zinc/32/51/00/210325100.db2.gz LYTLKHCLRHTFJN-GIJQJNRQSA-N 0 0 396.493 4.591 40 10 GJCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408998526 533265784 /nfs/dbraw/zinc/26/57/84/533265784.db2.gz RBEIKWXEVNTZCB-STZFKDTASA-N 0 0 375.468 4.683 40 10 GJCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000140011006 136193016 /nfs/dbraw/zinc/19/30/16/136193016.db2.gz BOJVSRKVNCWCIX-OAHLLOKOSA-N 0 0 389.952 4.533 40 10 GJCBRN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000140009814 136193115 /nfs/dbraw/zinc/19/31/15/136193115.db2.gz SQQHUYYSBPCFCW-QGZVFWFLSA-N 0 0 383.561 4.694 40 10 GJCBRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000217918967 136203439 /nfs/dbraw/zinc/20/34/39/136203439.db2.gz MUEQJKPAKGNPMZ-JEBNODLOSA-N 0 0 378.516 4.822 40 10 GJCBRN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217831553 136203495 /nfs/dbraw/zinc/20/34/95/136203495.db2.gz TYGJUSUVILYXLX-IAGOWNOFSA-N 0 0 386.923 4.833 40 10 GJCBRN COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217966899 136203545 /nfs/dbraw/zinc/20/35/45/136203545.db2.gz UKXSKKANGZSLHG-BDZHWRPJSA-N 0 0 378.516 4.822 40 10 GJCBRN C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000218701251 136203762 /nfs/dbraw/zinc/20/37/62/136203762.db2.gz BNWIJBLKRMOXRR-ZWKOTPCHSA-N 0 0 384.495 4.707 40 10 GJCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218687376 136203861 /nfs/dbraw/zinc/20/38/61/136203861.db2.gz ISBKFVHLBGJRJX-AABGKKOBSA-N 0 0 380.532 4.876 40 10 GJCBRN Cc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219289211 136204164 /nfs/dbraw/zinc/20/41/64/136204164.db2.gz LDSCQGDEKDZPBF-MISYRCLQSA-N 0 0 380.532 4.876 40 10 GJCBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 ZINC000222607731 136204896 /nfs/dbraw/zinc/20/48/96/136204896.db2.gz KLPIOOAPLGQPGF-NQERJWCQSA-N 0 0 396.535 4.800 40 10 GJCBRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000223500632 136205820 /nfs/dbraw/zinc/20/58/20/136205820.db2.gz GDXLBGBJKTYZBK-LJQANCHMSA-N 0 0 380.532 4.804 40 10 GJCBRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 ZINC000223701510 136205887 /nfs/dbraw/zinc/20/58/87/136205887.db2.gz DYMIZLQHSFAWFD-SFHVURJKSA-N 0 0 394.540 4.555 40 10 GJCBRN CSc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000113830607 534180289 /nfs/dbraw/zinc/18/02/89/534180289.db2.gz SDOBMFNOUJUILU-XNTDXEJSSA-N 0 0 388.495 4.723 40 10 GJCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 ZINC000409166000 534251056 /nfs/dbraw/zinc/25/10/56/534251056.db2.gz BXXKVDWPGCXYKA-XFQAVAEZSA-N 0 0 379.456 4.625 40 10 GJCBRN Cc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)n1 ZINC000409207068 534574788 /nfs/dbraw/zinc/57/47/88/534574788.db2.gz OCWXLRCQYDCZEQ-NTEUORMPSA-N 0 0 391.315 4.558 40 10 GJCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NCCc1ccc(Cl)cc1 ZINC000103917943 528066941 /nfs/dbraw/zinc/06/69/41/528066941.db2.gz HOUHXSVMKFGFNA-PGMHBOJBSA-N 0 0 381.907 4.949 40 10 GJCBRN CCCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S ZINC000409335234 528161989 /nfs/dbraw/zinc/16/19/89/528161989.db2.gz ZOEBLVIVWWZTCC-CYVLTUHYSA-N 0 0 399.537 4.756 40 10 GJCBRN CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC ZINC000409344281 528197483 /nfs/dbraw/zinc/19/74/83/528197483.db2.gz IRPCUPZJBFMIGZ-YVLHZVERSA-N 0 0 389.473 4.639 40 10 GJCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC(C)=O)c1 ZINC000408741015 528292789 /nfs/dbraw/zinc/29/27/89/528292789.db2.gz GLTUXYJTMUOVPS-DEDYPNTBSA-N 0 0 391.467 4.748 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1sccc1C ZINC000408893787 528616198 /nfs/dbraw/zinc/61/61/98/528616198.db2.gz NDNBWUCEMZRPJK-PDGQHHTCSA-N 0 0 381.497 4.941 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408892213 528616837 /nfs/dbraw/zinc/61/68/37/528616837.db2.gz HHJYDKXKDLTOGA-QNGOZBTKSA-N 0 0 399.446 4.813 40 10 GJCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c2ccccc21 ZINC000409111094 528944647 /nfs/dbraw/zinc/94/46/47/528944647.db2.gz AHOMFXDLSZDOMU-STZFKDTASA-N 0 0 387.439 4.909 40 10 GJCBRN CCN1C(=O)/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)SC1=S ZINC000409353038 528944829 /nfs/dbraw/zinc/94/48/29/528944829.db2.gz ZZTHBGASKDFTMB-CXUHLZMHSA-N 0 0 388.470 4.693 40 10 GJCBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1 ZINC000409204999 529192183 /nfs/dbraw/zinc/19/21/83/529192183.db2.gz MYMJSAPJXOODBH-BRYHAGSVSA-N 0 0 386.542 4.820 40 10 GJCBRN C[C@H](Oc1ccccc1)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001670340 570266962 /nfs/dbraw/zinc/26/69/62/570266962.db2.gz QIZPNNNHISBEDU-IBGZPJMESA-N 0 0 390.527 4.522 40 10 GJCBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 ZINC000222638647 570417873 /nfs/dbraw/zinc/41/78/73/570417873.db2.gz RFUMPHHEJSWRQP-UAOJZALGSA-N 0 0 398.963 4.925 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000222782058 570425571 /nfs/dbraw/zinc/42/55/71/570425571.db2.gz IGDRGWPZVALXBE-VXKWHMMOSA-N 0 0 390.556 4.790 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000408758383 570436649 /nfs/dbraw/zinc/43/66/49/570436649.db2.gz JIHJDXZQSSRZOD-HAVVHWLPSA-N 0 0 397.478 4.596 40 10 GJCBRN CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000005736811 570454225 /nfs/dbraw/zinc/45/42/25/570454225.db2.gz NJSDWGSDGVVFMD-NTCAYCPXSA-N 0 0 397.949 4.665 40 10 GJCBRN COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2cccc(C)c2)C1=O ZINC000408758789 570454889 /nfs/dbraw/zinc/45/48/89/570454889.db2.gz RGHBWIBHSBXJCY-RCCKNPSSSA-N 0 0 386.426 4.977 40 10 GJCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(O)cc1 ZINC000408759569 570469174 /nfs/dbraw/zinc/46/91/74/570469174.db2.gz HGBNYTXPWNBSOH-DEDYPNTBSA-N 0 0 376.362 4.505 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000408760111 570469654 /nfs/dbraw/zinc/46/96/54/570469654.db2.gz RQWGMTNQUXHKKS-XQNSMLJCSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)c1 ZINC000408760661 570470169 /nfs/dbraw/zinc/47/01/69/570470169.db2.gz CNHKNGRXRMRWIX-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000030849333 570498195 /nfs/dbraw/zinc/49/81/95/570498195.db2.gz DCOFIQDKSBQFFK-OAQYLSRUSA-N 0 0 386.923 4.804 40 10 GJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2F)cc1 ZINC000408755501 570545055 /nfs/dbraw/zinc/54/50/55/570545055.db2.gz QMHHCZVVTQRTEH-XSFVSMFZSA-N 0 0 376.387 4.652 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)c1 ZINC000408755395 570545079 /nfs/dbraw/zinc/54/50/79/570545079.db2.gz NFMCFGUJKAZKEK-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225316865 570564364 /nfs/dbraw/zinc/56/43/64/570564364.db2.gz IAVYLHBHEIKZKR-IBGZPJMESA-N 0 0 380.532 4.742 40 10 GJCBRN CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCCC1 ZINC000001339994 570570329 /nfs/dbraw/zinc/57/03/29/570570329.db2.gz HPHVAJROLUSGGO-UHFFFAOYSA-N 0 0 377.941 4.574 40 10 GJCBRN CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S ZINC000012032423 570600005 /nfs/dbraw/zinc/60/00/05/570600005.db2.gz YJLGZMOACHUDRB-SAPNQHFASA-N 0 0 391.558 4.710 40 10 GJCBRN Fc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl ZINC000225745797 570612526 /nfs/dbraw/zinc/61/25/26/570612526.db2.gz XUFNZWVDMPOPKU-UHFFFAOYSA-N 0 0 377.916 4.608 40 10 GJCBRN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3c4c(c(=O)oc31)CCCC4)C2 ZINC000004422076 570629462 /nfs/dbraw/zinc/62/94/62/570629462.db2.gz SCSBZQIUAIKSBS-OYLFLEFRSA-N 0 0 381.516 4.778 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1 ZINC000059435722 570653844 /nfs/dbraw/zinc/65/38/44/570653844.db2.gz BHARDRDHZIZDEE-GDNBJRDFSA-N 0 0 388.250 4.871 40 10 GJCBRN CN(C)c1ccc(/C=C(/c2nc3ccccc3[nH]2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000059488912 570658756 /nfs/dbraw/zinc/65/87/56/570658756.db2.gz BHWYJPXHCLDXFS-XFXZXTDPSA-N 0 0 376.338 4.640 40 10 GJCBRN COc1ccc(OC)c(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)c1 ZINC000012412830 570667343 /nfs/dbraw/zinc/66/73/43/570667343.db2.gz PQVGACHCGGGMCS-IDUWFGFVSA-N 0 0 391.254 4.817 40 10 GJCBRN CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408762887 570667508 /nfs/dbraw/zinc/66/75/08/570667508.db2.gz LQGCTFMWZWFVSY-XQNSMLJCSA-N 0 0 398.462 4.934 40 10 GJCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408762896 570667680 /nfs/dbraw/zinc/66/76/80/570667680.db2.gz LRANLMAJYUEVAT-CJLVFECKSA-N 0 0 385.442 4.726 40 10 GJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000409008434 570693989 /nfs/dbraw/zinc/69/39/89/570693989.db2.gz YLMVXIBRHPQEQC-SILNSSARSA-N 0 0 380.513 4.812 40 10 GJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 ZINC000260769103 570703484 /nfs/dbraw/zinc/70/34/84/570703484.db2.gz KEFZTZMQWLSRCJ-MAODMQOUSA-N 0 0 378.545 4.580 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(C)c3)N21 ZINC000260762637 570703868 /nfs/dbraw/zinc/70/38/68/570703868.db2.gz GXQQBLYHASZPFY-QIJUGHKUSA-N 0 0 392.572 4.970 40 10 GJCBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)SC1=S ZINC000001207297 570713719 /nfs/dbraw/zinc/71/37/19/570713719.db2.gz FAABGFLXHVEGKO-YBEGLDIGSA-N 0 0 376.934 4.969 40 10 GJCBRN CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S ZINC000006938204 570750944 /nfs/dbraw/zinc/75/09/44/570750944.db2.gz XIWFHRUIAYYQOX-XYOKQWHBSA-N 0 0 395.267 4.740 40 10 GJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000007378363 570758141 /nfs/dbraw/zinc/75/81/41/570758141.db2.gz MZNRXQLXRXOTKU-UHFFFAOYSA-N 0 0 382.847 4.543 40 10 GJCBRN Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1 ZINC000015013176 570871933 /nfs/dbraw/zinc/87/19/33/570871933.db2.gz SFWMMZCFLPUBBI-UDWIEESQSA-N 0 0 391.858 4.845 40 10 GJCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000103563294 570886750 /nfs/dbraw/zinc/88/67/50/570886750.db2.gz XCKHETCOJDREOQ-JBTTYCITSA-N 0 0 396.903 4.915 40 10 GJCBRN CC(NCCc1ccccc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017081690 570915813 /nfs/dbraw/zinc/91/58/13/570915813.db2.gz QNFMSSNXTBHFTI-NKFKGCMQSA-N 0 0 399.469 4.683 40 10 GJCBRN COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577513 570920351 /nfs/dbraw/zinc/92/03/51/570920351.db2.gz BGDBOYFXVSKWRW-IPMKNSEASA-N 0 0 396.531 4.576 40 10 GJCBRN COCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000226731676 570954212 /nfs/dbraw/zinc/95/42/12/570954212.db2.gz LHCOLEJQIBOSJN-DBXWQHBBSA-N 0 0 382.891 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CCOc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225691449 206067763 /nfs/dbraw/zinc/06/77/63/206067763.db2.gz HBTICGKXIGJBQT-QGZVFWFLSA-N 0 0 383.561 4.808 40 10 GJCBRN COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(C)C ZINC000033323463 206098018 /nfs/dbraw/zinc/09/80/18/206098018.db2.gz DHJXDRVMVGQVNG-LICLKQGHSA-N 0 0 384.863 4.942 40 10 GJCBRN CC(=O)c1ccc(N2C(=O)C(=CC3=Cc4ccccc4OC3)SC2=S)cc1 ZINC000054360779 206210427 /nfs/dbraw/zinc/21/04/27/206210427.db2.gz IGOVZMKSHDZFNR-ODLFYWEKSA-N 0 0 393.489 4.614 40 10 GJCBRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000020039082 210312796 /nfs/dbraw/zinc/31/27/96/210312796.db2.gz ADAVYDVXOAHRIW-HSZRJFAPSA-N 0 0 388.511 4.914 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408893326 533268677 /nfs/dbraw/zinc/26/86/77/533268677.db2.gz MEGLZTUSQXYYJV-GDNBJRDFSA-N 0 0 388.250 4.871 40 10 GJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000059959351 533265054 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386.923 4.833 40 10 GJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000408646062 533721129 /nfs/dbraw/zinc/72/11/29/533721129.db2.gz NQCZTYIBQKSHHI-UHFFFAOYSA-N 0 0 396.874 4.851 40 10 GJCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)SC1=S ZINC000409206178 533727283 /nfs/dbraw/zinc/72/72/83/533727283.db2.gz IFPISAZZQVAUKV-CPNJWEJPSA-N 0 0 397.569 4.551 40 10 GJCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000106706892 533910829 /nfs/dbraw/zinc/91/08/29/533910829.db2.gz WEMFUGZCGYZIBJ-ZHZULCJRSA-N 0 0 378.497 4.832 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2OC)cc1 ZINC000408848705 533993455 /nfs/dbraw/zinc/99/34/55/533993455.db2.gz XVPABGSZSVMQLL-XMHGGMMESA-N 0 0 390.464 4.600 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2F)cc1 ZINC000408839911 533994211 /nfs/dbraw/zinc/99/42/11/533994211.db2.gz BIJACEZQKWTEAW-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409157103 534243733 /nfs/dbraw/zinc/24/37/33/534243733.db2.gz UHCUSHJHMZRCCU-VKJFTORMSA-N 0 0 384.819 4.861 40 10 GJCBRN Cc1ccccc1N1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S ZINC000409377956 534821806 /nfs/dbraw/zinc/82/18/06/534821806.db2.gz MDVPEVWOXAXXJF-YVLHZVERSA-N 0 0 379.462 4.507 40 10 GJCBRN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1F ZINC000106695973 534824643 /nfs/dbraw/zinc/82/46/43/534824643.db2.gz SXVBMSGSJUECEE-UYRXBGFRSA-N 0 0 382.460 4.662 40 10 GJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1O ZINC000409078888 528196335 /nfs/dbraw/zinc/19/63/35/528196335.db2.gz DRFBYEFWDZLQFS-HKWRFOASSA-N 0 0 384.435 4.625 40 10 GJCBRN CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408767132 528368074 /nfs/dbraw/zinc/36/80/74/528368074.db2.gz VZIZGACUFFWLAZ-XQNSMLJCSA-N 0 0 398.462 4.934 40 10 GJCBRN CCOC(=O)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408973939 528547355 /nfs/dbraw/zinc/54/73/55/528547355.db2.gz CTZOVKAWCXJHFB-UHFFFAOYSA-N 0 0 395.418 4.591 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1sccc1C ZINC000408896359 528617224 /nfs/dbraw/zinc/61/72/24/528617224.db2.gz YCKJFFULNYIOFM-AQTBWJFISA-N 0 0 397.496 4.723 40 10 GJCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccccc1Br ZINC000101350645 570282676 /nfs/dbraw/zinc/28/26/76/570282676.db2.gz FKPSYRUYZUUUNZ-WJDWOHSUSA-N 0 0 384.277 4.784 40 10 GJCBRN Cc1ccc(C)n1-c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072216758 570317913 /nfs/dbraw/zinc/31/79/13/570317913.db2.gz NWWDXEBTXWJYNA-OAQYLSRUSA-N 0 0 375.472 4.963 40 10 GJCBRN Cc1cc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C)c(C)n1-c1ccccc1 ZINC000222564076 570414734 /nfs/dbraw/zinc/41/47/34/570414734.db2.gz AHZOOZRETVGLIV-UHFFFAOYSA-N 0 0 392.890 4.564 40 10 GJCBRN CCN(CC)c1ccc(CNC(=O)CSCc2cccc(Cl)c2)cc1 ZINC000222671208 570419860 /nfs/dbraw/zinc/41/98/60/570419860.db2.gz DLJVZUNFYONSLK-UHFFFAOYSA-N 0 0 376.953 4.736 40 10 GJCBRN CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222738424 570423261 /nfs/dbraw/zinc/42/32/61/570423261.db2.gz PPTMCUJOUGMGBA-FCHUYYIVSA-N 0 0 390.556 4.654 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000222782171 570425546 /nfs/dbraw/zinc/42/55/46/570425546.db2.gz IGDRGWPZVALXBE-FCHUYYIVSA-N 0 0 390.556 4.790 40 10 GJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 ZINC000222826722 570427947 /nfs/dbraw/zinc/42/79/47/570427947.db2.gz KLEXGXRMMZIADJ-VXKWHMMOSA-N 0 0 390.556 4.870 40 10 GJCBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000222988009 570435223 /nfs/dbraw/zinc/43/52/23/570435223.db2.gz IRPJSSMYAINECO-VXKWHMMOSA-N 0 0 390.556 4.953 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)c1 ZINC000408758822 570454877 /nfs/dbraw/zinc/45/48/77/570454877.db2.gz SAFZULWDKXWSAU-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408761347 570470769 /nfs/dbraw/zinc/47/07/69/570470769.db2.gz ISHBLZKPTXSTIY-CJLVFECKSA-N 0 0 384.435 4.538 40 10 GJCBRN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260453158 570491950 /nfs/dbraw/zinc/49/19/50/570491950.db2.gz FRGHAPQZPQXCRT-FXAWDEMLSA-N 0 0 380.532 4.796 40 10 GJCBRN COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260455497 570492576 /nfs/dbraw/zinc/49/25/76/570492576.db2.gz YFBSMINBLPQVAH-GBESFXJTSA-N 0 0 396.531 4.576 40 10 GJCBRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000224024878 570494887 /nfs/dbraw/zinc/49/48/87/570494887.db2.gz NMXIYMGGRUCFQT-XMMPIXPASA-N 0 0 394.559 4.885 40 10 GJCBRN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000225330375 570564660 /nfs/dbraw/zinc/56/46/60/570564660.db2.gz ALIPMCNKRIZPAN-UHFFFAOYSA-N 0 0 377.315 4.843 40 10 GJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000083330185 570629168 /nfs/dbraw/zinc/62/91/68/570629168.db2.gz CIYZTMZORXGPCP-MOSHPQCFSA-N 0 0 387.395 4.969 40 10 GJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(=O)c2ccccc2)cc1 ZINC000058854611 570648126 /nfs/dbraw/zinc/64/81/26/570648126.db2.gz AKWVXYQCEAVGRK-CJLVFECKSA-N 0 0 382.419 4.712 40 10 GJCBRN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 ZINC000059457434 570654291 /nfs/dbraw/zinc/65/42/91/570654291.db2.gz PQYKKBQKMHZEOO-AUWJEWJLSA-N 0 0 394.836 4.793 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1OC ZINC000059566391 570657324 /nfs/dbraw/zinc/65/73/24/570657324.db2.gz AIXBPDSGRSLFHM-ZHZULCJRSA-N 0 0 391.467 4.696 40 10 GJCBRN COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000059959348 570660467 /nfs/dbraw/zinc/66/04/67/570660467.db2.gz DQKMCZWAYFFKAL-HMAPJEAMSA-N 0 0 389.495 4.991 40 10 GJCBRN CC(Nc1ccc(Cl)cc1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000101615658 570716485 /nfs/dbraw/zinc/71/64/85/570716485.db2.gz MGDNEMRAFCVGOX-PDGQHHTCSA-N 0 0 384.823 4.665 40 10 GJCBRN CCn1c(-c2ccc(O)c(O)c2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000583501184 570742482 /nfs/dbraw/zinc/74/24/82/570742482.db2.gz DJTJLMANSWAFNR-UHFFFAOYSA-N 0 0 380.391 4.899 40 10 GJCBRN O=C1N=C(Nc2ccccc2Br)SC1=Cc1ccc(F)cc1 ZINC000016672929 570930408 /nfs/dbraw/zinc/93/04/08/570930408.db2.gz NIBMYHNMGOIYIS-NTEUORMPSA-N 0 0 377.238 4.671 40 10 GJCBRN O=C1NC(=S)S/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000408528741 231051466 /nfs/dbraw/zinc/05/14/66/231051466.db2.gz FGLGWZPRXSOFJE-MFOYZWKCSA-N 0 0 384.913 4.832 40 10 GJCBRN O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408763311 231112893 /nfs/dbraw/zinc/11/28/93/231112893.db2.gz MQUKSFYLEYODGU-DEDYPNTBSA-N 0 0 378.353 4.938 40 10 GJCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2F)N1c1ccc(F)cc1 ZINC000408764484 231112928 /nfs/dbraw/zinc/11/29/28/231112928.db2.gz IWFALIPFIBDXCN-DEDYPNTBSA-N 0 0 378.353 4.938 40 10 GJCBRN Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1C1CCCC1 ZINC000409140168 231169876 /nfs/dbraw/zinc/16/98/76/231169876.db2.gz FKFNMCTWBKHPDE-PBXDPIQXSA-N 0 0 390.574 4.600 40 10 GJCBRN O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc(Cl)c1 ZINC000409338458 231192055 /nfs/dbraw/zinc/19/20/55/231192055.db2.gz KJOHJAWDTUMFLI-SXGWCWSVSA-N 0 0 399.880 4.852 40 10 GJCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000409343531 231192451 /nfs/dbraw/zinc/19/24/51/231192451.db2.gz HYPPGQOMHZTUDD-OQLLNIDSSA-N 0 0 388.495 4.723 40 10 GJCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c1 ZINC000016666299 210192876 /nfs/dbraw/zinc/19/28/76/210192876.db2.gz NLIVITSAHAYXHA-WOJGMQOQSA-N 0 0 385.510 4.726 40 10 GJCBRN Cc1cccc(C2=NN3C(=NC(=O)/C(=C\c4ccc(C(C)C)cc4)C3=N)S2)c1 ZINC000033447313 209181706 /nfs/dbraw/zinc/18/17/06/209181706.db2.gz FKIHIGKRIVULTC-BIWIXZEJSA-N 0 0 388.496 4.786 40 10 GJCBRN COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OC ZINC000005477057 212067242 /nfs/dbraw/zinc/06/72/42/212067242.db2.gz HNSJZKKTFXGRCL-OVCLIPMQSA-N 0 0 391.254 4.817 40 10 GJCBRN Cc1cccnc1N[C@@H](c1cccnc1)c1cc(Cl)c2cccnc2c1O ZINC000046085508 212056241 /nfs/dbraw/zinc/05/62/41/212056241.db2.gz WEGIIIJERGFKDD-SFHVURJKSA-N 0 0 376.847 4.894 40 10 GJCBRN O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1CCc1ccccc1 ZINC000028296306 203786989 /nfs/dbraw/zinc/78/69/89/203786989.db2.gz YQXVSCWFFAKSPZ-FOWTUZBSSA-N 0 0 391.464 4.732 40 10 GJCBRN CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000005370739 204128789 /nfs/dbraw/zinc/12/87/89/204128789.db2.gz YPUWCGSHMIFWSX-VKAVYKQESA-N 0 0 391.558 4.710 40 10 GJCBRN CCOc1ccc(C=C2SC(Nc3ccc(CC)cc3)=NC2=O)cc1OC ZINC000005372645 204129932 /nfs/dbraw/zinc/12/99/32/204129932.db2.gz SBWVYAZBPGLESO-UYRXBGFRSA-N 0 0 382.485 4.739 40 10 GJCBRN Cc1ccc(COc2ccccc2/C=C2\SC(N3CCCC3)=NC2=O)cc1 ZINC000006841210 204215228 /nfs/dbraw/zinc/21/52/28/204215228.db2.gz MQHCSRBHUIRYPC-ZHZULCJRSA-N 0 0 378.497 4.640 40 10 GJCBRN CC(C)c1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000009188836 204302114 /nfs/dbraw/zinc/30/21/14/204302114.db2.gz AEWPHUSIDVEWTC-GRSHGNNSSA-N 0 0 397.521 4.940 40 10 GJCBRN Cc1c(Cl)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Cl ZINC000223950593 206008590 /nfs/dbraw/zinc/00/85/90/206008590.db2.gz DLRGCWGPLMQOPB-UHFFFAOYSA-N 0 0 395.359 4.784 40 10 GJCBRN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000225373042 206044017 /nfs/dbraw/zinc/04/40/17/206044017.db2.gz ZLSSQDMSWQTEQY-UHFFFAOYSA-N 0 0 377.315 4.843 40 10 GJCBRN CCN(CCCNC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 ZINC000225733531 206071706 /nfs/dbraw/zinc/07/17/06/206071706.db2.gz BKTRKJCPIYYSDX-UHFFFAOYSA-N 0 0 391.968 4.860 40 10 GJCBRN COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000059959133 533267685 /nfs/dbraw/zinc/26/76/85/533267685.db2.gz VSJOEGJTSHVCDV-YVLHZVERSA-N 0 0 388.250 4.871 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1OC ZINC000409023855 533266495 /nfs/dbraw/zinc/26/64/95/533266495.db2.gz KNMOVZFYZJGKHH-BOPFTXTBSA-N 0 0 397.858 4.534 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408988009 533266510 /nfs/dbraw/zinc/26/65/10/533266510.db2.gz QCPGKJBEGYVSSL-STZFKDTASA-N 0 0 391.467 4.696 40 10 GJCBRN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217831425 136203402 /nfs/dbraw/zinc/20/34/02/136203402.db2.gz DKFLEXQRZBPMNE-KRWDZBQOSA-N 0 0 386.923 4.833 40 10 GJCBRN COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000217966709 136203580 /nfs/dbraw/zinc/20/35/80/136203580.db2.gz MHYYGDWDKCOQSE-YFPIXMDGSA-N 0 0 378.516 4.822 40 10 GJCBRN C[C@@H](NC(=O)CCCOc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218726502 136203779 /nfs/dbraw/zinc/20/37/79/136203779.db2.gz IASHJVBLCQZHBE-HXUWFJFHSA-N 0 0 380.532 4.959 40 10 GJCBRN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl ZINC000222851278 136205106 /nfs/dbraw/zinc/20/51/06/136205106.db2.gz CXONWBLJUNXXKS-KRWDZBQOSA-N 0 0 386.923 4.722 40 10 GJCBRN COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(C)cc2C)C1=O ZINC000408719731 533952269 /nfs/dbraw/zinc/95/22/69/533952269.db2.gz PYUGYZPYCHXIKC-WOJGMQOQSA-N 0 0 384.526 4.583 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2OC)cc1 ZINC000408846452 533993516 /nfs/dbraw/zinc/99/35/16/533993516.db2.gz SLMMQQXSVNQTSV-CJLVFECKSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2F)cc1 ZINC000408752256 533994563 /nfs/dbraw/zinc/99/45/63/533994563.db2.gz HDLOIIWJCFVWGF-CPNJWEJPSA-N 0 0 378.428 4.730 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 ZINC000408840669 534001437 /nfs/dbraw/zinc/00/14/37/534001437.db2.gz CXXOPUVNPISURA-XSFVSMFZSA-N 0 0 390.389 4.808 40 10 GJCBRN COc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S ZINC000409344492 534130057 /nfs/dbraw/zinc/13/00/57/534130057.db2.gz JNKUTENAXITBDB-XMHGGMMESA-N 0 0 396.537 4.701 40 10 GJCBRN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)cc2)SC1=S ZINC000409335671 534130451 /nfs/dbraw/zinc/13/04/51/534130451.db2.gz YHVYNLGCDNDWQC-PDGQHHTCSA-N 0 0 385.510 4.888 40 10 GJCBRN COc1ccc(OC)c(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)c1 ZINC000408721923 534228490 /nfs/dbraw/zinc/22/84/90/534228490.db2.gz BJQRPQISAFTAHB-GHXNOFRVSA-N 0 0 377.223 4.992 40 10 GJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000408531421 528150273 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CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1Cl ZINC000408940552 528640684 /nfs/dbraw/zinc/64/06/84/528640684.db2.gz OEIOITGKFMLWRP-SFQUDFHCSA-N 0 0 382.847 4.571 40 10 GJCBRN CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000107771653 528641389 /nfs/dbraw/zinc/64/13/89/528641389.db2.gz UWZXYKWMLKZCEL-QGOAFFKASA-N 0 0 385.510 4.890 40 10 GJCBRN COc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000001259803 570259717 /nfs/dbraw/zinc/25/97/17/570259717.db2.gz GETRTGZIHRXYMB-LTGZKZEYSA-N 0 0 392.524 4.620 40 10 GJCBRN Cc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C ZINC000001346195 570260905 /nfs/dbraw/zinc/26/09/05/570260905.db2.gz QKGVVOZDJPYGMI-UHFFFAOYSA-N 0 0 391.452 4.983 40 10 GJCBRN Cc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O ZINC000033390869 570297302 /nfs/dbraw/zinc/29/73/02/570297302.db2.gz BEBYNHCWTCXKKE-RGEXLXHISA-N 0 0 399.537 4.674 40 10 GJCBRN Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222589509 570415822 /nfs/dbraw/zinc/41/58/22/570415822.db2.gz TZLQGSPUUHLXKQ-IWMITWMQSA-N 0 0 396.535 4.719 40 10 GJCBRN CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 ZINC000222738364 570423190 /nfs/dbraw/zinc/42/31/90/570423190.db2.gz PPTMCUJOUGMGBA-YADHBBJMSA-N 0 0 390.556 4.654 40 10 GJCBRN C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260453276 570491975 /nfs/dbraw/zinc/49/19/75/570491975.db2.gz IMNBNLMIVFNSAH-PMACEKPBSA-N 0 0 380.532 4.959 40 10 GJCBRN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(F)cc1 ZINC000009188535 570551216 /nfs/dbraw/zinc/55/12/16/570551216.db2.gz LVSHVXYOBAGKJJ-ZROIWOOFSA-N 0 0 394.290 4.994 40 10 GJCBRN O=C(Nc1c(Cl)cc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccco1 ZINC000004954388 570646602 /nfs/dbraw/zinc/64/66/02/570646602.db2.gz QKKRICPFGLIDTD-UHFFFAOYSA-N 0 0 386.190 4.614 40 10 GJCBRN COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004959460 570653041 /nfs/dbraw/zinc/65/30/41/570653041.db2.gz AKNZEKOLMKDERA-UHYGZKCKSA-N 0 0 384.819 4.861 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000059959238 570660508 /nfs/dbraw/zinc/66/05/08/570660508.db2.gz AHVSMQDVHFPVCP-MOSHPQCFSA-N 0 0 379.431 4.826 40 10 GJCBRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000260613059 570660529 /nfs/dbraw/zinc/66/05/29/570660529.db2.gz CMMNCZAQVSNPCX-ICSRJNTNSA-N 0 0 380.532 4.796 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408762912 570667492 /nfs/dbraw/zinc/66/74/92/570667492.db2.gz LTQRLSIMWIJAQH-XQNSMLJCSA-N 0 0 398.462 4.847 40 10 GJCBRN CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)c1 ZINC000260784276 570705259 /nfs/dbraw/zinc/70/52/59/570705259.db2.gz VPMZQZFYZVJLTR-TYCQWZJGSA-N 0 0 380.561 4.826 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3)N21 ZINC000260788333 570705599 /nfs/dbraw/zinc/70/55/99/570705599.db2.gz YYKZZKGHDLHOPF-QMMLZNLJSA-N 0 0 378.545 4.661 40 10 GJCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1 ZINC000001046142 570711658 /nfs/dbraw/zinc/71/16/58/570711658.db2.gz YPEURNLHWSXYFB-NTEUORMPSA-N 0 0 376.846 4.654 40 10 GJCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260905931 570714135 /nfs/dbraw/zinc/71/41/35/570714135.db2.gz TXWANPPXKJRGSZ-OALUTQOASA-N 0 0 380.532 4.742 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(F)c1 ZINC000006348295 570741279 /nfs/dbraw/zinc/74/12/79/570741279.db2.gz KQHGKGMGRRWYJT-MOSHPQCFSA-N 0 0 379.431 4.826 40 10 GJCBRN O=C(CSCc1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1 ZINC000010113081 570782425 /nfs/dbraw/zinc/78/24/25/570782425.db2.gz ZWCVONCRYQUMQH-UHFFFAOYSA-N 0 0 388.964 4.880 40 10 GJCBRN CCN(CC)c1ccc2c(c1)OC(=O)N[C@]2(c1ccc(C)cc1)C(F)(F)F ZINC000026779903 570807017 /nfs/dbraw/zinc/80/70/17/570807017.db2.gz CSTAHUFXOUPREX-IBGZPJMESA-N 0 0 378.394 4.749 40 10 GJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000014414953 570891547 /nfs/dbraw/zinc/89/15/47/570891547.db2.gz YNDWHWQHWYUVJW-HKWRFOASSA-N 0 0 395.886 4.645 40 10 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PNVPNWJGHYPUGU-CJLVFECKSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)c1 ZINC000408764267 231112458 /nfs/dbraw/zinc/11/24/58/231112458.db2.gz WMUWIOKTEAZEJY-PXLXIMEGSA-N 0 0 384.435 4.544 40 10 GJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)C(C)=C1C(=O)OC ZINC000408770144 231113362 /nfs/dbraw/zinc/11/33/62/231113362.db2.gz UACROURPXQEFCG-ZHZULCJRSA-N 0 0 391.467 4.579 40 10 GJCBRN Cc1cc([C@@H]2[NH2+]C[C@H](C(=O)[O-])S2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408977836 231140442 /nfs/dbraw/zinc/14/04/42/231140442.db2.gz KEDYCBQSZLRFBX-NHCUHLMSSA-N 0 0 378.497 4.549 40 10 GJCBRN O=C(CNC(=O)OCc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000408999980 231145159 /nfs/dbraw/zinc/14/51/59/231145159.db2.gz DJDDEBZVQAWBMQ-OCEACIFDSA-N 0 0 388.427 4.967 40 10 GJCBRN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc(Br)cc1 ZINC000409340518 231192762 /nfs/dbraw/zinc/19/27/62/231192762.db2.gz YLCGOHBQVLCLSF-NTEUORMPSA-N 0 0 394.290 4.994 40 10 GJCBRN 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396.535 4.800 40 10 GJCBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 ZINC000222595189 136204928 /nfs/dbraw/zinc/20/49/28/136204928.db2.gz RPDFQMPIONQKCM-LPTQZCDUSA-N 0 0 396.535 4.800 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(C)cc2)cc1 ZINC000409000315 533994302 /nfs/dbraw/zinc/99/43/02/533994302.db2.gz YMZQATZMGVTQBX-CJLVFECKSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1Cl ZINC000409334763 533995055 /nfs/dbraw/zinc/99/50/55/533995055.db2.gz XOLIERBPYMTSBJ-OVCLIPMQSA-N 0 0 379.865 4.894 40 10 GJCBRN CC(C)(C)c1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(C(C)(C)C)c1O ZINC000408769558 526754017 /nfs/dbraw/zinc/75/40/17/526754017.db2.gz NYBMAQQFKDNFAI-UHFFFAOYSA-N 0 0 386.488 4.741 40 10 GJCBRN CC(Nc1cccc(OC(F)(F)F)c1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112123410 527540520 /nfs/dbraw/zinc/54/05/20/527540520.db2.gz PPTBWITUIDRRDU-BOPFTXTBSA-N 0 0 393.340 4.833 40 10 GJCBRN CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409342977 528057128 /nfs/dbraw/zinc/05/71/28/528057128.db2.gz DBZFVROMVVZKSA-GIJQJNRQSA-N 0 0 383.494 4.945 40 10 GJCBRN CCCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)SC1=S ZINC000409339963 528163089 /nfs/dbraw/zinc/16/30/89/528163089.db2.gz NNNZKBOAKDEYNE-AWNIVKPZSA-N 0 0 381.320 4.542 40 10 GJCBRN CCOc1c(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cccc1OC ZINC000409329248 528166065 /nfs/dbraw/zinc/16/60/65/528166065.db2.gz CTAHABZVBSGXMN-ATVHPVEESA-N 0 0 385.510 4.808 40 10 GJCBRN CCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000408995609 528369989 /nfs/dbraw/zinc/36/99/89/528369989.db2.gz BNJCAUGKFQEJPJ-KQRQPNSISA-N 0 0 391.467 4.519 40 10 GJCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408891859 528615992 /nfs/dbraw/zinc/61/59/92/528615992.db2.gz DACFVBYACAAFSU-ZROIWOOFSA-N 0 0 382.287 4.712 40 10 GJCBRN CCOc1ccc2ccccc2c1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408939579 528624244 /nfs/dbraw/zinc/62/42/44/528624244.db2.gz NCTBBHOJKNWTII-HMMYKYKNSA-N 0 0 384.435 4.680 40 10 GJCBRN 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397.544 4.699 40 10 GJCBRN O=C(COc1ccc2c(c1)OCO2)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006049312 570668209 /nfs/dbraw/zinc/66/82/09/570668209.db2.gz MTBXPJFHCRJKOW-WCWDXBQESA-N 0 0 375.384 4.848 40 10 GJCBRN COc1cccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000007141129 570676375 /nfs/dbraw/zinc/67/63/75/570676375.db2.gz HXQYNICLLGVLSC-OCOZRVBESA-N 0 0 389.411 4.906 40 10 GJCBRN CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(OC)c1 ZINC000260755927 570702927 /nfs/dbraw/zinc/70/29/27/570702927.db2.gz CIYDLICFNYSYRJ-GQWLDOHISA-N 0 0 396.560 4.526 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3F)N21 ZINC000260786503 570705554 /nfs/dbraw/zinc/70/55/54/570705554.db2.gz XPWBYIODJRXRNA-NQERJWCQSA-N 0 0 396.535 4.800 40 10 GJCBRN CCCCNC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000017079747 570918094 /nfs/dbraw/zinc/91/80/94/570918094.db2.gz AGICNUZGIMXURA-CYVLTUHYSA-N 0 0 390.512 4.711 40 10 GJCBRN CCOc1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000017080179 570918467 /nfs/dbraw/zinc/91/84/67/570918467.db2.gz GVDQGPKOBKZDSZ-UYRXBGFRSA-N 0 0 392.484 4.804 40 10 GJCBRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260578954 570921545 /nfs/dbraw/zinc/92/15/45/570921545.db2.gz XXICSNDSFIKICD-OALUTQOASA-N 0 0 380.532 4.742 40 10 GJCBRN O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1cccc(F)c1 ZINC000059417988 230944680 /nfs/dbraw/zinc/94/46/80/230944680.db2.gz JFBMKBSMHVRHFP-PJQLUOCWSA-N 0 0 393.848 4.614 40 10 GJCBRN Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)c1 ZINC000408751643 231111771 /nfs/dbraw/zinc/11/17/71/231111771.db2.gz AXJJGVDKCFINHM-DEDYPNTBSA-N 0 0 382.419 4.558 40 10 GJCBRN O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(F)c1 ZINC000408973381 231139305 /nfs/dbraw/zinc/13/93/05/231139305.db2.gz MGXIMWASKQDOMR-ZSOIEALJSA-N 0 0 394.290 4.994 40 10 GJCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O ZINC000409255710 231188689 /nfs/dbraw/zinc/18/86/89/231188689.db2.gz ZLMARZLWEZOCIJ-DEDYPNTBSA-N 0 0 398.528 4.784 40 10 GJCBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000409342745 231192408 /nfs/dbraw/zinc/19/24/08/231192408.db2.gz GGOYRCYFABSRIL-ZHZULCJRSA-N 0 0 394.565 4.997 40 10 GJCBRN CCCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370940 209589764 /nfs/dbraw/zinc/58/97/64/209589764.db2.gz ARXHSJKYKOHBFR-SFXQBQATSA-N 0 0 389.542 4.568 40 10 GJCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000001071908 209296288 /nfs/dbraw/zinc/29/62/88/209296288.db2.gz JXOIIPFRFQUXMS-NNMXDRDESA-N 0 0 389.455 4.657 40 10 GJCBRN N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC=C(c3ccc(F)cc3)N21 ZINC000041083602 212042262 /nfs/dbraw/zinc/04/22/62/212042262.db2.gz AGMIYEBSLCZQHZ-NJOZZACWSA-N 0 0 388.427 4.611 40 10 GJCBRN COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000005371496 204128517 /nfs/dbraw/zinc/12/85/17/204128517.db2.gz CGDJOICZHFEHCI-UNOMPAQXSA-N 0 0 394.521 4.620 40 10 GJCBRN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000005201073 204117374 /nfs/dbraw/zinc/11/73/74/204117374.db2.gz VTKMGSYJFSCPMA-SFLYRZDNSA-N 0 0 396.531 4.634 40 10 GJCBRN COc1ccc(NC2=NC(=O)C(=CC(C)=Cc3ccccc3)S2)c(OC)c1 ZINC000005551463 204138335 /nfs/dbraw/zinc/13/83/35/204138335.db2.gz OPSORNWPMYCRPB-JKLBGJETSA-N 0 0 380.469 4.733 40 10 GJCBRN COc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 ZINC000072176011 205031271 /nfs/dbraw/zinc/03/12/71/205031271.db2.gz RGEGGYARJAEIEK-UHFFFAOYSA-N 0 0 387.071 4.538 40 10 GJCBRN O=C(CCn1ncc(=O)c2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000032820150 206092238 /nfs/dbraw/zinc/09/22/38/206092238.db2.gz CMGCTKUXNDXLEK-CYYJNZCTSA-N 0 0 397.438 4.841 40 10 GJCBRN Cc1cc(C(F)(F)F)nc2sc(C(=O)Oc3ccc(F)cc3F)c(N)c21 ZINC000261527009 206185361 /nfs/dbraw/zinc/18/53/61/206185361.db2.gz VBVXXRIFOUFYRJ-UHFFFAOYSA-N 0 0 388.317 4.703 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408752948 533240615 /nfs/dbraw/zinc/24/06/15/533240615.db2.gz KDLZIPQMKHCJJB-PXLXIMEGSA-N 0 0 384.435 4.544 40 10 GJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000408891672 533266368 /nfs/dbraw/zinc/26/63/68/533266368.db2.gz AUKCXHMCPFOQJB-QIQQCEGHSA-N 0 0 381.859 4.774 40 10 GJCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408999712 533266447 /nfs/dbraw/zinc/26/64/47/533266447.db2.gz VOEPTBVPJXFWMS-LVLBFHFTSA-N 0 0 399.849 4.913 40 10 GJCBRN COc1cccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1 ZINC000409332967 533387772 /nfs/dbraw/zinc/38/77/72/533387772.db2.gz STWLHGNGHDZUHU-CXUHLZMHSA-N 0 0 391.901 4.763 40 10 GJCBRN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=C1SC(=S)NC1=O ZINC000409350369 533429709 /nfs/dbraw/zinc/42/97/09/533429709.db2.gz RHYKTMKMLHSVBP-LSCVHKIXSA-N 0 0 385.554 4.652 40 10 GJCBRN COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1 ZINC000409338912 533474421 /nfs/dbraw/zinc/47/44/21/533474421.db2.gz QQQCCOOVJRDHTA-ZDLGFXPLSA-N 0 0 385.510 4.726 40 10 GJCBRN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218693959 136203763 /nfs/dbraw/zinc/20/37/63/136203763.db2.gz KEBWAWHDMXPYDX-HXUWFJFHSA-N 0 0 380.532 4.796 40 10 GJCBRN Cc1cc(C)cc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218694163 136203866 /nfs/dbraw/zinc/20/38/66/136203866.db2.gz FRGHAPQZPQXCRT-YLJYHZDGSA-N 0 0 380.532 4.796 40 10 GJCBRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218956704 136203892 /nfs/dbraw/zinc/20/38/92/136203892.db2.gz SWKUXNDLUOOLBK-LJQANCHMSA-N 0 0 380.532 4.742 40 10 GJCBRN Cc1cc(N2CCCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594959 136204906 /nfs/dbraw/zinc/20/49/06/136204906.db2.gz IHFJHYBEXUAICF-HSQYWUDLSA-N 0 0 392.572 4.970 40 10 GJCBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2)S1 ZINC000222607443 136204918 /nfs/dbraw/zinc/20/49/18/136204918.db2.gz SLVQHVWLHPGQKV-CZAAIQMYSA-N 0 0 378.545 4.661 40 10 GJCBRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000222829011 136205079 /nfs/dbraw/zinc/20/50/79/136205079.db2.gz CMMNCZAQVSNPCX-QUCCMNQESA-N 0 0 380.532 4.796 40 10 GJCBRN CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000222893970 136205195 /nfs/dbraw/zinc/20/51/95/136205195.db2.gz NFDMSSORCXUDPB-HSZRJFAPSA-N 0 0 380.532 4.713 40 10 GJCBRN CN(C)c1ccc([C@@H]2OC(=O)c3ccccc3N2C(=O)Nc2ccccc2)cc1 ZINC000223814028 136206004 /nfs/dbraw/zinc/20/60/04/136206004.db2.gz KUVIFOMVUWOMKX-NRFANRHFSA-N 0 0 387.439 4.660 40 10 GJCBRN COc1ccccc1CNC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000112124737 534075779 /nfs/dbraw/zinc/07/57/79/534075779.db2.gz PMBGKUYSUJSEQS-NKFKGCMQSA-N 0 0 397.478 4.510 40 10 GJCBRN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408768443 534144635 /nfs/dbraw/zinc/14/46/35/534144635.db2.gz JEIYYNLHEPSFFF-UHFFFAOYSA-N 0 0 379.456 4.546 40 10 GJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000409160860 534163527 /nfs/dbraw/zinc/16/35/27/534163527.db2.gz XNDCVYXZEJKOQZ-FMTVUPSXSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000058865978 534805536 /nfs/dbraw/zinc/80/55/36/534805536.db2.gz JBINJCWCXLDCBX-UHFFFAOYSA-N 0 0 398.842 4.673 40 10 GJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000408770103 534805816 /nfs/dbraw/zinc/80/58/16/534805816.db2.gz STUVJQCJTIUBPR-UHFFFAOYSA-N 0 0 390.844 4.838 40 10 GJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(OC)cc1 ZINC000103919201 528065114 /nfs/dbraw/zinc/06/51/14/528065114.db2.gz TYIVNOFIIXGVCW-QNGOZBTKSA-N 0 0 379.460 4.593 40 10 GJCBRN CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409346738 528130441 /nfs/dbraw/zinc/13/04/41/528130441.db2.gz OIAOPDFFTBGTND-NVMNQCDNSA-N 0 0 399.493 4.608 40 10 GJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000408533692 528150474 /nfs/dbraw/zinc/15/04/74/528150474.db2.gz OVAZWAULYWMOAN-GDNBJRDFSA-N 0 0 396.903 4.707 40 10 GJCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12 ZINC000408967268 528150854 /nfs/dbraw/zinc/15/08/54/528150854.db2.gz UFFPMVPYDHLAKF-SXGWCWSVSA-N 0 0 380.245 4.737 40 10 GJCBRN CCOc1cc(Cl)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC ZINC000409034180 528288167 /nfs/dbraw/zinc/28/81/67/528288167.db2.gz MREDZEGWJPFUBZ-CHHVJCJISA-N 0 0 385.938 4.605 40 10 GJCBRN CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408903544 528369393 /nfs/dbraw/zinc/36/93/93/528369393.db2.gz ZMGOHAAHIIIGKX-QGOAFFKASA-N 0 0 385.510 4.890 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1sccc1C ZINC000408770172 528617662 /nfs/dbraw/zinc/61/76/62/528617662.db2.gz UHJGCROYYUAUFO-WJDWOHSUSA-N 0 0 387.888 4.977 40 10 GJCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409194271 529197509 /nfs/dbraw/zinc/19/75/09/529197509.db2.gz JDMSMLNGNQQAAD-BRFSQIRFSA-N 0 0 386.542 4.820 40 10 GJCBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000035085966 570272423 /nfs/dbraw/zinc/27/24/23/570272423.db2.gz FLLLSOXDGNWOCU-MOSHPQCFSA-N 0 0 396.487 4.971 40 10 GJCBRN Cc1nc(N)sc1N=Nc1cc(Br)ccc1Br ZINC000104128634 570298024 /nfs/dbraw/zinc/29/80/24/570298024.db2.gz ICNVAUGTTYRUNQ-NXVVXOECSA-N 0 0 376.077 4.804 40 10 GJCBRN Cc1cc(N2CCCC2)c(F)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222589638 570415722 /nfs/dbraw/zinc/41/57/22/570415722.db2.gz TZLQGSPUUHLXKQ-ONGXBYRLSA-N 0 0 396.535 4.719 40 10 GJCBRN Cc1c(C)c(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594521 570416165 /nfs/dbraw/zinc/41/61/65/570416165.db2.gz UQAIIJIHOZQLHK-ITEAAPOESA-N 0 0 392.572 4.888 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3C)N21 ZINC000222676166 570420198 /nfs/dbraw/zinc/42/01/98/570420198.db2.gz HDPNXQQEDUUBRD-VOQZNFBZSA-N 0 0 392.572 4.970 40 10 GJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 ZINC000222676767 570420415 /nfs/dbraw/zinc/42/04/15/570420415.db2.gz BOOFUGNAHNOUQS-ORYQWCPZSA-N 0 0 396.535 4.800 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000222783651 570425829 /nfs/dbraw/zinc/42/58/29/570425829.db2.gz YNLDXKXYPKFDTQ-SFTDATJTSA-N 0 0 394.519 4.621 40 10 GJCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S ZINC000005235999 570431976 /nfs/dbraw/zinc/43/19/76/570431976.db2.gz PNIPZQAARRZOPE-VLURKWGBSA-N 0 0 379.510 4.536 40 10 GJCBRN Cc1nn(-c2ccc(C)cc2)c(C)c1/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C ZINC000408755314 570545057 /nfs/dbraw/zinc/54/50/57/570545057.db2.gz DGYZVHFAIWYQTH-OEAKJJBVSA-N 0 0 384.483 4.912 40 10 GJCBRN CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408757795 570548648 /nfs/dbraw/zinc/54/86/48/570548648.db2.gz CDCKFYLTVFDRHR-CJLVFECKSA-N 0 0 384.435 4.625 40 10 GJCBRN CC(C)Oc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 ZINC000225746634 570612874 /nfs/dbraw/zinc/61/28/74/570612874.db2.gz JSHMBWWWWHNMOW-UHFFFAOYSA-N 0 0 383.561 4.603 40 10 GJCBRN CC[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000260619349 570660853 /nfs/dbraw/zinc/66/08/53/570660853.db2.gz KDLMNJRJHNKZQW-PWHSHALESA-N 0 0 380.532 4.958 40 10 GJCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000226738376 570954418 /nfs/dbraw/zinc/95/44/18/570954418.db2.gz YKTMGXJAGUUQLA-LPMFXHHGSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C1NC(=Cc2ccc(N3CCCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409244130 231186627 /nfs/dbraw/zinc/18/66/27/231186627.db2.gz YEHHZVRNYGZXMG-QGOAFFKASA-N 0 0 399.853 4.567 40 10 GJCBRN CCCCCOC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S ZINC000005370888 209588671 /nfs/dbraw/zinc/58/86/71/209588671.db2.gz QBAOXWIKMRGFKG-JUBDITTISA-N 0 0 389.542 4.568 40 10 GJCBRN COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000001260296 209317862 /nfs/dbraw/zinc/31/78/62/209317862.db2.gz REWPSAYERHOMCG-OVCLIPMQSA-N 0 0 379.865 4.894 40 10 GJCBRN Cc1cccc(N[C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)n1 ZINC000045944548 209194981 /nfs/dbraw/zinc/19/49/81/209194981.db2.gz VQNWSJCXINAUOY-IBGZPJMESA-N 0 0 376.847 4.894 40 10 GJCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1ccccc1Cl ZINC000103563265 203783098 /nfs/dbraw/zinc/78/30/98/203783098.db2.gz IKWQRXOKJXLFOD-PRZRADHTSA-N 0 0 396.903 4.915 40 10 GJCBRN CCN(CC)c1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 ZINC000005736372 204148991 /nfs/dbraw/zinc/14/89/91/204148991.db2.gz NWRLJCJTBDTAHC-QGOAFFKASA-N 0 0 399.288 4.640 40 10 GJCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1Cl ZINC000009188645 204302014 /nfs/dbraw/zinc/30/20/14/204302014.db2.gz JHHYWESMCFQVCV-NVNXTCNLSA-N 0 0 390.873 4.962 40 10 GJCBRN S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Br)cc1 ZINC000225423096 206047341 /nfs/dbraw/zinc/04/73/41/206047341.db2.gz VJASKBILWMEOFB-UHFFFAOYSA-N 0 0 390.350 4.536 40 10 GJCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218972916 136203901 /nfs/dbraw/zinc/20/39/01/136203901.db2.gz QYHDTIDSPIUPFO-UXHICEINSA-N 0 0 380.532 4.876 40 10 GJCBRN C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222770468 136205005 /nfs/dbraw/zinc/20/50/05/136205005.db2.gz PXTMYMMFSZRTKS-QGZVFWFLSA-N 0 0 386.923 4.833 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(O)cc1 ZINC000408840556 534002873 /nfs/dbraw/zinc/00/28/73/534002873.db2.gz CHPJMOJTTGAGSQ-RCCKNPSSSA-N 0 0 384.435 4.544 40 10 GJCBRN COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409157097 534243907 /nfs/dbraw/zinc/24/39/07/534243907.db2.gz UHCUSHJHMZRCCU-RKVPGOIHSA-N 0 0 384.819 4.861 40 10 GJCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408736531 534286117 /nfs/dbraw/zinc/28/61/17/534286117.db2.gz XOKNFVZJOLVLIX-LQWHRVPQSA-N 0 0 393.508 4.794 40 10 GJCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000409054690 534805931 /nfs/dbraw/zinc/80/59/31/534805931.db2.gz VNMFTAKVXSIODV-NTCAYCPXSA-N 0 0 375.336 4.961 40 10 GJCBRN CC(NCc1cccs1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000112122955 527540062 /nfs/dbraw/zinc/54/00/62/527540062.db2.gz KQYMEBYEHQLZSY-HKWRFOASSA-N 0 0 391.471 4.702 40 10 GJCBRN CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000409338832 528161818 /nfs/dbraw/zinc/16/18/18/528161818.db2.gz BWDRCZAVLMTHAP-YBEGLDIGSA-N 0 0 388.470 4.774 40 10 GJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)c(OC)c3)SC2=S)cc1 ZINC000409338410 528483115 /nfs/dbraw/zinc/48/31/15/528483115.db2.gz JLUUGIKBWOXYJH-LDADJPATSA-N 0 0 385.510 4.808 40 10 GJCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000409348427 528642927 /nfs/dbraw/zinc/64/29/27/528642927.db2.gz SRAXCCOJNBPREZ-ZDLGFXPLSA-N 0 0 399.493 4.610 40 10 GJCBRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000222966177 535817828 /nfs/dbraw/zinc/81/78/28/535817828.db2.gz DDAHXEHTTCLWNB-JOCHJYFZSA-N 0 0 380.532 4.768 40 10 GJCBRN CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222866037 535818126 /nfs/dbraw/zinc/81/81/26/535818126.db2.gz KDLMNJRJHNKZQW-SELNLUPBSA-N 0 0 380.532 4.958 40 10 GJCBRN Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072216817 570317884 /nfs/dbraw/zinc/31/78/84/570317884.db2.gz MQIUGPDKZMYKPC-NRFANRHFSA-N 0 0 375.472 4.963 40 10 GJCBRN Cc1cc(CNC(=O)c2ccc3nc(Cl)n(C)c3c2)c(C)n1-c1ccccc1 ZINC000222564179 570414755 /nfs/dbraw/zinc/41/47/55/570414755.db2.gz FVHXOVMTNSJCON-UHFFFAOYSA-N 0 0 392.890 4.564 40 10 GJCBRN O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2cc(Cl)c(Cl)cc21 ZINC000004917891 570418430 /nfs/dbraw/zinc/41/84/30/570418430.db2.gz IIBIQYDUITVXDA-UHFFFAOYSA-N 0 0 394.217 4.503 40 10 GJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 ZINC000222676883 570420485 /nfs/dbraw/zinc/42/04/85/570420485.db2.gz BOOFUGNAHNOUQS-ZLGUVYLKSA-N 0 0 396.535 4.800 40 10 GJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 ZINC000222853936 570428920 /nfs/dbraw/zinc/42/89/20/570428920.db2.gz NGZUOHCJMRQWLC-RTWAWAEBSA-N 0 0 376.529 4.562 40 10 GJCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC000028336661 570458184 /nfs/dbraw/zinc/45/81/84/570458184.db2.gz RBVWOEJVYLPOBN-UHFFFAOYSA-N 0 0 393.712 4.633 40 10 GJCBRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466184 570493846 /nfs/dbraw/zinc/49/38/46/570493846.db2.gz HFBLIWWXYSBMPM-XQMGMDATSA-N 0 0 393.487 4.722 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408757609 570507675 /nfs/dbraw/zinc/50/76/75/570507675.db2.gz AVZMNRRMUJHHPD-CJLVFECKSA-N 0 0 384.435 4.538 40 10 GJCBRN CC[C@@H](c1ccc(O)c(CN2CCOCC2)c1)[C@H](CC)c1ccc(OC)cc1 ZINC000031923566 570507702 /nfs/dbraw/zinc/50/77/02/570507702.db2.gz CJCLOJYYXSFFKS-PKTZIBPZSA-N 0 0 383.532 4.920 40 10 GJCBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408757965 570578678 /nfs/dbraw/zinc/57/86/78/570578678.db2.gz SSEZAUBVMCVSPL-UCQKPKSFSA-N 0 0 384.483 4.912 40 10 GJCBRN COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665160 570600042 /nfs/dbraw/zinc/60/00/42/570600042.db2.gz QCWDZABRYARCCW-INIZCTEOSA-N 0 0 397.544 4.511 40 10 GJCBRN Cc1cc(CNC(=O)c2ccc3nc(Cl)oc3c2)c(C)n1-c1ccccc1 ZINC000225985966 570638214 /nfs/dbraw/zinc/63/82/14/570638214.db2.gz RRCVPKCMZCFSSB-UHFFFAOYSA-N 0 0 379.847 4.819 40 10 GJCBRN 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570656495 /nfs/dbraw/zinc/65/64/95/570656495.db2.gz YYNJCNGAHXLFPK-ZSOIEALJSA-N 0 0 376.846 4.654 40 10 GJCBRN Oc1ccc(Br)cc1[C@@H]1CC(c2ccccc2)=N[C@H](c2ccco2)N1 ZINC000005027370 570658258 /nfs/dbraw/zinc/65/82/58/570658258.db2.gz QXHILNQOTGWIEY-PXNSSMCTSA-N 0 0 397.272 4.970 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3C)N21 ZINC000260762688 570703827 /nfs/dbraw/zinc/70/38/27/570703827.db2.gz HDPNXQQEDUUBRD-YHYVQYDKSA-N 0 0 392.572 4.970 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3)N21 ZINC000260784205 570705188 /nfs/dbraw/zinc/70/51/88/570705188.db2.gz VJKXSGDNWXCDNU-QMMLZNLJSA-N 0 0 380.561 4.907 40 10 GJCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000002272982 570719312 /nfs/dbraw/zinc/71/93/12/570719312.db2.gz DFKLDOUCNHGNIF-NTEUORMPSA-N 0 0 376.846 4.654 40 10 GJCBRN CCOc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1O ZINC000006959998 570753925 /nfs/dbraw/zinc/75/39/25/570753925.db2.gz OZVYZLMIFCZDGN-LICLKQGHSA-N 0 0 388.876 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ZINC000219040774 136204018 /nfs/dbraw/zinc/20/40/18/136204018.db2.gz JSURIABGBXXEEY-LJQANCHMSA-N 0 0 388.511 4.914 40 10 GJCBRN COC(=O)c1ccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)cc1 ZINC000408722905 533957902 /nfs/dbraw/zinc/95/79/02/533957902.db2.gz ODDXRKRLMXSDOJ-JAIQZWGSSA-N 0 0 386.403 4.616 40 10 GJCBRN Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000058865735 534144815 /nfs/dbraw/zinc/14/48/15/534144815.db2.gz JGMBWBNLWGBCTF-UHFFFAOYSA-N 0 0 399.874 4.891 40 10 GJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCCCC1 ZINC000103917791 528065871 /nfs/dbraw/zinc/06/58/71/528065871.db2.gz LNUAOQHIAOYFMW-HKWRFOASSA-N 0 0 384.480 4.684 40 10 GJCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/C=C/c1ccccc1 ZINC000105413615 528146089 /nfs/dbraw/zinc/14/60/89/528146089.db2.gz DROPIRIWOGFUCO-LRELXJSQSA-N 0 0 378.300 4.744 40 10 GJCBRN CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NC(=O)Nc1cccc2ccccc21 ZINC000408530631 528149699 /nfs/dbraw/zinc/14/96/99/528149699.db2.gz JJLLIYRPLCIKME-ZHZULCJRSA-N 0 0 384.439 4.576 40 10 GJCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)cc1 ZINC000409086862 528291753 /nfs/dbraw/zinc/29/17/53/528291753.db2.gz HNZYRSSJDZULGU-XSFVSMFZSA-N 0 0 397.544 4.997 40 10 GJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1 ZINC000409022314 528369486 /nfs/dbraw/zinc/36/94/86/528369486.db2.gz MXMVIWXRJKOFEW-STZFKDTASA-N 0 0 391.467 4.579 40 10 GJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(CC)cc3)C(C(=O)OC)=C2C)cc1 ZINC000409062233 528483086 /nfs/dbraw/zinc/48/30/86/528483086.db2.gz QIOUTBDETUPKHS-QNGOZBTKSA-N 0 0 391.467 4.525 40 10 GJCBRN CCOC(=O)C(=O)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408973489 528547954 /nfs/dbraw/zinc/54/79/54/528547954.db2.gz BDSMTXPMKPSKIR-UHFFFAOYSA-N 0 0 396.402 4.558 40 10 GJCBRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218956767 536191125 /nfs/dbraw/zinc/19/11/25/536191125.db2.gz XXICSNDSFIKICD-MOPGFXCFSA-N 0 0 380.532 4.742 40 10 GJCBRN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000020040470 570237049 /nfs/dbraw/zinc/23/70/49/570237049.db2.gz ISELJTDIHDIAOP-FQEVSTJZSA-N 0 0 386.923 4.804 40 10 GJCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S ZINC000209949731 570325640 /nfs/dbraw/zinc/32/56/40/570325640.db2.gz UPPRUPCXKHPNSJ-ZSOIEALJSA-N 0 0 394.861 4.729 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 ZINC000222677102 570420509 /nfs/dbraw/zinc/42/05/09/570420509.db2.gz XPWBYIODJRXRNA-IPHXSNPTSA-N 0 0 396.535 4.800 40 10 GJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000222744970 570423428 /nfs/dbraw/zinc/42/34/28/570423428.db2.gz QMZXYJIUORORAC-VXKWHMMOSA-N 0 0 390.556 4.708 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000222782443 570425536 /nfs/dbraw/zinc/42/55/36/570425536.db2.gz YQEJXTXVQXTNCP-FCHUYYIVSA-N 0 0 390.556 4.790 40 10 GJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222871400 570429482 /nfs/dbraw/zinc/42/94/82/570429482.db2.gz HTRUQBBZEUGSBY-VXKWHMMOSA-N 0 0 390.556 4.872 40 10 GJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 ZINC000222943357 570432285 /nfs/dbraw/zinc/43/22/85/570432285.db2.gz YDLWQKLMLMVQDW-FGZHOGPDSA-N 0 0 390.556 4.809 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408758941 570455614 /nfs/dbraw/zinc/45/56/14/570455614.db2.gz VEFIJLASKCUNEY-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408760025 570469816 /nfs/dbraw/zinc/46/98/16/570469816.db2.gz QCNUBCSLGNDZAN-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN COc1ccccc1/C=C/C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260467417 570494074 /nfs/dbraw/zinc/49/40/74/570494074.db2.gz UKXSKKANGZSLHG-MVVBNGQASA-N 0 0 378.516 4.822 40 10 GJCBRN Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1 ZINC000408754741 570544948 /nfs/dbraw/zinc/54/49/48/570544948.db2.gz HUYUVSYMOXTHOL-HAVVHWLPSA-N 0 0 381.479 4.896 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000059435702 570653865 /nfs/dbraw/zinc/65/38/65/570653865.db2.gz HBPNHZBRWQJKAK-BOPFTXTBSA-N 0 0 388.250 4.871 40 10 GJCBRN COc1ccc(C2=C/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1 ZINC000059425969 570657064 /nfs/dbraw/zinc/65/70/64/570657064.db2.gz DZXRRPGBCFVJGY-QINSGFPZSA-N 0 0 389.363 4.845 40 10 GJCBRN CCCOc1ccc(Cl)cc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408936572 570687426 /nfs/dbraw/zinc/68/74/26/570687426.db2.gz GRPHUWMPRFUBEN-QGOAFFKASA-N 0 0 382.847 4.571 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3)N21 ZINC000260784208 570705181 /nfs/dbraw/zinc/70/51/81/570705181.db2.gz VJKXSGDNWXCDNU-UIFIKXQLSA-N 0 0 380.561 4.907 40 10 GJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(CC)cc1 ZINC000014415116 570892223 /nfs/dbraw/zinc/89/22/23/570892223.db2.gz KCNINRBXCPGSMF-XLNRJJMWSA-N 0 0 389.495 4.554 40 10 GJCBRN CCc1ccc(NC(C)=C2C(C)=NN(c3nc4ccccc4s3)C2=O)cc1 ZINC000017077022 570916348 /nfs/dbraw/zinc/91/63/48/570916348.db2.gz HVFVXINSULGQBG-UYRXBGFRSA-N 0 0 376.485 4.967 40 10 GJCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000113830550 231022865 /nfs/dbraw/zinc/02/28/65/231022865.db2.gz UUHNLOWGQRCJQQ-VGOFMYFVSA-N 0 0 394.836 4.793 40 10 GJCBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(O)c1 ZINC000408738874 231109481 /nfs/dbraw/zinc/10/94/81/231109481.db2.gz PMVLECGTPAYPCU-QGOAFFKASA-N 0 0 384.391 4.772 40 10 GJCBRN Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000408996353 231143471 /nfs/dbraw/zinc/14/34/71/231143471.db2.gz DEEYLSOLULSKSU-OEAKJJBVSA-N 0 0 398.510 4.971 40 10 GJCBRN O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(Cl)c1 ZINC000409387302 231199647 /nfs/dbraw/zinc/19/96/47/231199647.db2.gz PPVUGMLEGDRVDD-LZYBPNLTSA-N 0 0 399.880 4.852 40 10 GJCBRN CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408752915 529774963 /nfs/dbraw/zinc/77/49/63/529774963.db2.gz DJEKXPXWNICKQW-CJLVFECKSA-N 0 0 385.442 4.726 40 10 GJCBRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc3ccccc32)cc1 ZINC000225258678 222672741 /nfs/dbraw/zinc/67/27/41/222672741.db2.gz CZWAIRNUCJWETI-GOSISDBHSA-N 0 0 376.500 4.770 40 10 GJCBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001446699 212246133 /nfs/dbraw/zinc/24/61/33/212246133.db2.gz VMYVJNSJXUHGJS-ZROIWOOFSA-N 0 0 394.315 4.930 40 10 GJCBRN C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(c2cccc(O)c2)C1=O ZINC000054360766 209114083 /nfs/dbraw/zinc/11/40/83/209114083.db2.gz BCJDOPHFHFKIPO-XACIZNRCSA-N 0 0 381.478 4.505 40 10 GJCBRN CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 ZINC000026680984 206253626 /nfs/dbraw/zinc/25/36/26/206253626.db2.gz RQCOOQGKTBRYAD-UNOMPAQXSA-N 0 0 399.537 4.804 40 10 GJCBRN COC(=O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000034772761 206306472 /nfs/dbraw/zinc/30/64/72/206306472.db2.gz PMASITAHIREIJM-SUNYJGFJSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)c1ccccc1 ZINC000000924816 206334113 /nfs/dbraw/zinc/33/41/13/206334113.db2.gz CBCJJXUUCJNJLW-LJQANCHMSA-N 0 0 378.497 4.704 40 10 GJCBRN CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000016692770 207077013 /nfs/dbraw/zinc/07/70/13/207077013.db2.gz AIDZOTHKQNFZEE-UNOMPAQXSA-N 0 0 399.537 4.804 40 10 GJCBRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000022525742 207255745 /nfs/dbraw/zinc/25/57/45/207255745.db2.gz HJVJBRICWIFHSW-QFIPXVFZSA-N 0 0 380.532 4.768 40 10 GJCBRN CCN(CC)c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(OC)c1 ZINC000222604435 208877528 /nfs/dbraw/zinc/87/75/28/208877528.db2.gz CIYDLICFNYSYRJ-JHVJFLLYSA-N 0 0 396.560 4.526 40 10 GJCBRN O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1C1CCCCC1 ZINC000009189191 221073355 /nfs/dbraw/zinc/07/33/55/221073355.db2.gz RHWMDOQXDNSVDW-UVTDQMKNSA-N 0 0 382.348 4.983 40 10 GJCBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000016034622 221356263 /nfs/dbraw/zinc/35/62/63/221356263.db2.gz RUCFJLRLZMUPKK-UYRXBGFRSA-N 0 0 376.847 4.640 40 10 GJCBRN COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000409017645 533266808 /nfs/dbraw/zinc/26/68/08/533266808.db2.gz GJNMSIOVJXLNHZ-DHDCSXOGSA-N 0 0 394.279 4.932 40 10 GJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000408770368 533266664 /nfs/dbraw/zinc/26/66/64/533266664.db2.gz WQGVEDMTCQVXEK-QIQQCEGHSA-N 0 0 381.859 4.774 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014406646 533266707 /nfs/dbraw/zinc/26/67/07/533266707.db2.gz AZHBPWAZVDYMLK-STZFKDTASA-N 0 0 375.468 4.996 40 10 GJCBRN COc1cc(C)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C(C)C ZINC000409085522 533565104 /nfs/dbraw/zinc/56/51/04/533565104.db2.gz SIQDNHHYXPUSOM-PACYTGELSA-N 0 0 391.558 4.507 40 10 GJCBRN C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217831608 136203494 /nfs/dbraw/zinc/20/34/94/136203494.db2.gz TYGJUSUVILYXLX-SJORKVTESA-N 0 0 386.923 4.833 40 10 GJCBRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218972991 136203937 /nfs/dbraw/zinc/20/39/37/136203937.db2.gz IKUVNXUMIKWATF-AABGKKOBSA-N 0 0 380.532 4.876 40 10 GJCBRN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219040844 136204024 /nfs/dbraw/zinc/20/40/24/136204024.db2.gz JSURIABGBXXEEY-IBGZPJMESA-N 0 0 388.511 4.914 40 10 GJCBRN Cc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219288973 136204146 /nfs/dbraw/zinc/20/41/46/136204146.db2.gz HGTNFZVNRKAMFJ-PMACEKPBSA-N 0 0 380.532 4.876 40 10 GJCBRN COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219502070 136204278 /nfs/dbraw/zinc/20/42/78/136204278.db2.gz JDZULWSARDUKLS-MOPGFXCFSA-N 0 0 396.531 4.576 40 10 GJCBRN Cc1ccc(N2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000219861768 136204483 /nfs/dbraw/zinc/20/44/83/136204483.db2.gz GVLYXNLNIHRROU-UHFFFAOYSA-N 0 0 391.559 4.518 40 10 GJCBRN CC(=O)c1cccc(N2C(=O)C(=CC3=Cc4ccccc4OC3)SC2=S)c1 ZINC000054360778 222014090 /nfs/dbraw/zinc/01/40/90/222014090.db2.gz FBYRHSGFRGCKOC-GRSHGNNSSA-N 0 0 393.489 4.614 40 10 GJCBRN O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1CCc1ccccc1 ZINC000409211151 534823857 /nfs/dbraw/zinc/82/38/57/534823857.db2.gz MZOADLQOFXGPBI-CAPFRKAQSA-N 0 0 378.497 4.566 40 10 GJCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(C)cc1 ZINC000112120195 528064980 /nfs/dbraw/zinc/06/49/80/528064980.db2.gz JGEOAQSEMDWXKO-HKWRFOASSA-N 0 0 378.432 4.792 40 10 GJCBRN CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000409342539 528642076 /nfs/dbraw/zinc/64/20/76/528642076.db2.gz DTTRGWLKNVVJPA-RGEXLXHISA-N 0 0 398.553 4.947 40 10 GJCBRN Nc1ccc(/N=N/c2cccc3c(/N=N\c4ccc(N)nc4N)cccc23)c(N)n1 ZINC000104231108 570299882 /nfs/dbraw/zinc/29/98/82/570299882.db2.gz BKITVKZRQCDHKO-JOKXDOCYSA-N 0 0 398.434 4.789 40 10 GJCBRN CC(=O)[C@H](N=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl ZINC000104325539 570301218 /nfs/dbraw/zinc/30/12/18/570301218.db2.gz QTSNFLIDNYOATQ-ANNUQZOISA-N 0 0 395.202 4.582 40 10 GJCBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC1=S ZINC000006144878 570313472 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4.830 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408757260 570544661 /nfs/dbraw/zinc/54/46/61/570544661.db2.gz XRIZKYJPBJSMPW-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCOc1ccccc1 ZINC000009188353 570551291 /nfs/dbraw/zinc/55/12/91/570551291.db2.gz XKISLKLTYNJGAR-VBKFSLOCSA-N 0 0 375.902 4.620 40 10 GJCBRN O=C(CSCc1c(F)cccc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000010113510 570565928 /nfs/dbraw/zinc/56/59/28/570565928.db2.gz AJQWRDPVNVDZDE-UHFFFAOYSA-N 0 0 392.927 4.629 40 10 GJCBRN CC(=O)c1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)SC2=S)cc1 ZINC000005371533 570568165 /nfs/dbraw/zinc/56/81/65/570568165.db2.gz YTWSYZGWYIJWBQ-ODLFYWEKSA-N 0 0 392.505 4.787 40 10 GJCBRN O=C(CSc1nnc2c3ccccc3[nH]c2n1)c1ccc(Cl)cc1Cl ZINC000005528419 570625428 /nfs/dbraw/zinc/62/54/28/570625428.db2.gz MTRGBLCJDWMSES-UHFFFAOYSA-N 0 0 389.267 4.788 40 10 GJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(C)=C1C(=O)OC ZINC000059435708 570653769 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COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000013389224 570839905 /nfs/dbraw/zinc/83/99/05/570839905.db2.gz AKNZEKOLMKDERA-CFZJUORYSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C(Nc1ccc(Oc2cccc3ccccc32)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000408671890 231092842 /nfs/dbraw/zinc/09/28/42/231092842.db2.gz UIZVVMRQJYEMSC-VYDWIPOPSA-N 0 0 399.446 4.768 40 10 GJCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 ZINC000408752682 231111506 /nfs/dbraw/zinc/11/15/06/231111506.db2.gz JHIKHDXGTGGEME-HAVVHWLPSA-N 0 0 381.479 4.896 40 10 GJCBRN O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000408765039 231112726 /nfs/dbraw/zinc/11/27/26/231112726.db2.gz YWPHLJYQVYSDPL-DEDYPNTBSA-N 0 0 378.353 4.938 40 10 GJCBRN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000409179905 231175524 /nfs/dbraw/zinc/17/55/24/231175524.db2.gz PNROQONHTFETAW-VGOFMYFVSA-N 0 0 394.836 4.793 40 10 GJCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccccc1F ZINC000409326424 231189658 /nfs/dbraw/zinc/18/96/58/231189658.db2.gz BNJIQYLBPFGCSZ-RIYZIHGNSA-N 0 0 394.836 4.793 40 10 GJCBRN Cc1ccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)c(C)c1 ZINC000409381122 231198595 /nfs/dbraw/zinc/19/85/95/231198595.db2.gz FKLSRSBWUXXPNQ-VCHYOVAHSA-N 0 0 393.489 4.816 40 10 GJCBRN CN(C)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000409349377 529783232 /nfs/dbraw/zinc/78/32/32/529783232.db2.gz PKCFVDLTUNCMKG-WOJGMQOQSA-N 0 0 379.510 4.640 40 10 GJCBRN O=C1c2nc(Nc3ccc(Cl)c(Cl)c3)sc2C(=O)c2ccccc21 ZINC000001622384 212250908 /nfs/dbraw/zinc/25/09/08/212250908.db2.gz SGDPXYIMMVMCCY-UHFFFAOYSA-N 0 0 375.236 4.969 40 10 GJCBRN CCOc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1O ZINC000001450801 206382592 /nfs/dbraw/zinc/38/25/92/206382592.db2.gz PRJHJWBVKPFISB-HTMJNSLASA-N 0 0 385.510 4.753 40 10 GJCBRN O=C(c1ccccc1)c1ccccc1NC[C@H](O)COc1cccc2ccccc21 ZINC000005582043 206619849 /nfs/dbraw/zinc/61/98/49/206619849.db2.gz WOMFQWGHVQZVNY-NRFANRHFSA-N 0 0 397.474 4.923 40 10 GJCBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 ZINC000222854048 208885652 /nfs/dbraw/zinc/88/56/52/208885652.db2.gz NGZUOHCJMRQWLC-SFTDATJTSA-N 0 0 376.529 4.562 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 ZINC000222676423 208880535 /nfs/dbraw/zinc/88/05/35/208880535.db2.gz GXQQBLYHASZPFY-BVYCBKJFSA-N 0 0 392.572 4.970 40 10 GJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1c(C)cccc1C ZINC000222744505 208882395 /nfs/dbraw/zinc/88/23/95/208882395.db2.gz RYCNLVWNLGFJTD-IFMALSPDSA-N 0 0 390.556 4.708 40 10 GJCBRN CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 ZINC000011640039 221118093 /nfs/dbraw/zinc/11/80/93/221118093.db2.gz OWTPXNYHBGXCCS-XMHGGMMESA-N 0 0 398.553 4.947 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000408764202 533240552 /nfs/dbraw/zinc/24/05/52/533240552.db2.gz LPXPOTNKBGMIKT-HMMYKYKNSA-N 0 0 384.435 4.538 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408767222 533267583 /nfs/dbraw/zinc/26/75/83/533267583.db2.gz FAEPCUAKFSTWNR-STZFKDTASA-N 0 0 391.467 4.696 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408767967 533266554 /nfs/dbraw/zinc/26/65/54/533266554.db2.gz HLSVSQCIXGMONO-LFIBNONCSA-N 0 0 385.822 4.665 40 10 GJCBRN COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1 ZINC000409344634 533472799 /nfs/dbraw/zinc/47/27/99/533472799.db2.gz HSCHNHZWWAGUQK-VCHYOVAHSA-N 0 0 385.510 4.726 40 10 GJCBRN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218751102 136203825 /nfs/dbraw/zinc/20/38/25/136203825.db2.gz YFBSMINBLPQVAH-QRVBRYPASA-N 0 0 396.531 4.576 40 10 GJCBRN COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000219306102 136204120 /nfs/dbraw/zinc/20/41/20/136204120.db2.gz DTVOMIVDTBOSRW-OALUTQOASA-N 0 0 396.531 4.576 40 10 GJCBRN COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219502418 136204217 /nfs/dbraw/zinc/20/42/17/136204217.db2.gz BGDBOYFXVSKWRW-QRVBRYPASA-N 0 0 396.531 4.576 40 10 GJCBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)c(F)c2)S1 ZINC000222607783 136204929 /nfs/dbraw/zinc/20/49/29/136204929.db2.gz KLPIOOAPLGQPGF-JHVJFLLYSA-N 0 0 396.535 4.800 40 10 GJCBRN CN(C)c1ccc([C@H]2OC(=O)c3ccccc3N2C(=O)Nc2ccccc2)cc1 ZINC000223814017 136205979 /nfs/dbraw/zinc/20/59/79/136205979.db2.gz KUVIFOMVUWOMKX-OAQYLSRUSA-N 0 0 387.439 4.660 40 10 GJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1 ZINC000408648820 533721522 /nfs/dbraw/zinc/72/15/22/533721522.db2.gz ZXJIFCKSIIHPDR-UHFFFAOYSA-N 0 0 382.847 4.543 40 10 GJCBRN COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(C)cc2)C1=O ZINC000408842133 533951732 /nfs/dbraw/zinc/95/17/32/533951732.db2.gz MKMAGFXHFUBNRZ-LTGZKZEYSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccc(F)cc1 ZINC000408844736 534002475 /nfs/dbraw/zinc/00/24/75/534002475.db2.gz USPHNLYLBLEKME-RCCKNPSSSA-N 0 0 386.426 4.977 40 10 GJCBRN CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408942919 528146292 /nfs/dbraw/zinc/14/62/92/528146292.db2.gz REDDSNDUTHDUNK-XQNSMLJCSA-N 0 0 396.446 4.708 40 10 GJCBRN CCCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S ZINC000409341954 528162652 /nfs/dbraw/zinc/16/26/52/528162652.db2.gz CYKOHDDADHLWJM-CYVLTUHYSA-N 0 0 399.537 4.756 40 10 GJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1 ZINC000408977207 528369919 /nfs/dbraw/zinc/36/99/19/528369919.db2.gz HSCDVIYQRQILRQ-UYRXBGFRSA-N 0 0 397.858 4.616 40 10 GJCBRN CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CCC)C3=O)c2C)cc1 ZINC000409230951 529017467 /nfs/dbraw/zinc/01/74/67/529017467.db2.gz HEXLJMKKFVAGON-RCCKNPSSSA-N 0 0 379.504 4.739 40 10 GJCBRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218956660 536191093 /nfs/dbraw/zinc/19/10/93/536191093.db2.gz SWKUXNDLUOOLBK-IBGZPJMESA-N 0 0 380.532 4.742 40 10 GJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222593034 570415841 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CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)cc1 ZINC000408779511 529689856 /nfs/dbraw/zinc/68/98/56/529689856.db2.gz XMOUNKMEEZIMJH-BARSGRSVSA-N 0 0 381.545 4.695 40 10 GJCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cc(C)ccc1C ZINC000003868549 209118634 /nfs/dbraw/zinc/11/86/34/209118634.db2.gz PUIGLQAWVVIUDO-ONBPWHQPSA-N 0 0 390.512 4.878 40 10 GJCBRN O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1cccc(Cl)c1 ZINC000054361192 209113918 /nfs/dbraw/zinc/11/39/18/209113918.db2.gz WIRIAYPRJGVUCY-SXGWCWSVSA-N 0 0 383.885 4.689 40 10 GJCBRN Oc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NC2CCCCC2)n1 ZINC000328987626 206238961 /nfs/dbraw/zinc/23/89/61/206238961.db2.gz ICCBEJOYBXQUHX-UHFFFAOYSA-N 0 0 394.906 4.835 40 10 GJCBRN Cc1cc(N2CCCC2)c(C)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594422 208878483 /nfs/dbraw/zinc/87/84/83/208878483.db2.gz NLIQHNLRUFOJIW-HSQYWUDLSA-N 0 0 392.572 4.888 40 10 GJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222871460 208885494 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380.532 4.796 40 10 GJCBRN COc1ccccc1/C=C1/SC(=S)N(CNc2cc(C)ccc2C)C1=O ZINC000408721214 533951877 /nfs/dbraw/zinc/95/18/77/533951877.db2.gz FDIGEAIZGRFSQJ-WOJGMQOQSA-N 0 0 384.526 4.583 40 10 GJCBRN COc1ccccc1/C=C1/SC(=S)N(CNc2cccc(Cl)c2)C1=O ZINC000408721436 533952369 /nfs/dbraw/zinc/95/23/69/533952369.db2.gz HUNKOXLURXXEAL-CXUHLZMHSA-N 0 0 390.917 4.619 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)SC2=S)cc1 ZINC000409340249 533993499 /nfs/dbraw/zinc/99/34/99/533993499.db2.gz SUSJQYDISPPXAE-XDHOZWIPSA-N 0 0 394.521 4.901 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(F)cc1 ZINC000408840004 534003932 /nfs/dbraw/zinc/00/39/32/534003932.db2.gz AAWLWVJLSYGDRW-XSFVSMFZSA-N 0 0 390.389 4.808 40 10 GJCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccc(Br)cc1 ZINC000017991159 527574404 /nfs/dbraw/zinc/57/44/04/527574404.db2.gz FJFQDUPBDBOUQZ-QZQOTICOSA-N 0 0 384.237 4.761 40 10 GJCBRN CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S ZINC000006655863 528163563 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392.572 4.970 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(F)c3)N21 ZINC000222676829 570420474 /nfs/dbraw/zinc/42/04/74/570420474.db2.gz BOOFUGNAHNOUQS-MAODMQOUSA-N 0 0 396.535 4.800 40 10 GJCBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3)N21 ZINC000222690339 570421007 /nfs/dbraw/zinc/42/10/07/570421007.db2.gz YYKZZKGHDLHOPF-IOMROCGXSA-N 0 0 378.545 4.661 40 10 GJCBRN CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C ZINC000222738170 570423045 /nfs/dbraw/zinc/42/30/45/570423045.db2.gz METCNPCYPGEDSP-FCHUYYIVSA-N 0 0 390.556 4.654 40 10 GJCBRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(C)c1C ZINC000222744168 570423456 /nfs/dbraw/zinc/42/34/56/570423456.db2.gz KSMGMRZRWDTYEW-VXKWHMMOSA-N 0 0 390.556 4.708 40 10 GJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000222782767 570425497 /nfs/dbraw/zinc/42/54/97/570425497.db2.gz DBQXHWQQJZLYEU-FGZHOGPDSA-N 0 0 390.556 4.790 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000222782577 570425560 /nfs/dbraw/zinc/42/55/60/570425560.db2.gz DBQXHWQQJZLYEU-VXKWHMMOSA-N 0 0 390.556 4.790 40 10 GJCBRN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1 ZINC000005371350 570435391 /nfs/dbraw/zinc/43/53/91/570435391.db2.gz VOHJUHKYYBJGBY-WQRHYEAKSA-N 0 0 385.510 4.672 40 10 GJCBRN CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1O ZINC000005372065 570435739 /nfs/dbraw/zinc/43/57/39/570435739.db2.gz SKLYGYVRVQNGTQ-PDGQHHTCSA-N 0 0 385.510 4.759 40 10 GJCBRN CCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 ZINC000005372261 570435753 /nfs/dbraw/zinc/43/57/53/570435753.db2.gz HQFDKIMVTLXIPJ-RGEXLXHISA-N 0 0 399.537 4.538 40 10 GJCBRN CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 ZINC000223434928 570465613 /nfs/dbraw/zinc/46/56/13/570465613.db2.gz FARUKMFSQOCXBT-UHFFFAOYSA-N 0 0 394.943 4.875 40 10 GJCBRN CCCCCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2 ZINC000006727386 570490696 /nfs/dbraw/zinc/49/06/96/570490696.db2.gz 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C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)c(F)c2)S1 ZINC000260769181 570703353 /nfs/dbraw/zinc/70/33/53/570703353.db2.gz KLPIOOAPLGQPGF-GQWLDOHISA-N 0 0 396.535 4.800 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000260769277 570703449 /nfs/dbraw/zinc/70/34/49/570703449.db2.gz LHAMQZZLCZRELJ-LEWJYISDSA-N 0 0 392.572 4.706 40 10 GJCBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)cc2)S1 ZINC000260781094 570705578 /nfs/dbraw/zinc/70/55/78/570705578.db2.gz SLVQHVWLHPGQKV-TYCQWZJGSA-N 0 0 378.545 4.661 40 10 GJCBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3)N21 ZINC000260788334 570705635 /nfs/dbraw/zinc/70/56/35/570705635.db2.gz YYKZZKGHDLHOPF-UIFIKXQLSA-N 0 0 378.545 4.661 40 10 GJCBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2O)n2c3ccccc3nc2N1 ZINC000014164615 570878918 /nfs/dbraw/zinc/87/89/18/570878918.db2.gz BIFVGJFKOYUDKQ-JOCHJYFZSA-N 0 0 396.450 4.670 40 10 GJCBRN CCOC(=O)N1CCC(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000014862417 570899212 /nfs/dbraw/zinc/89/92/12/570899212.db2.gz NCOHMAGXPKDFRX-WCWDXBQESA-N 0 0 380.448 4.909 40 10 GJCBRN CCOc1cc2c(cc1OCC)[C@H](c1cc(Cl)cc(Cl)c1[O-])[NH2+]CC2 ZINC000022063316 570961554 /nfs/dbraw/zinc/96/15/54/570961554.db2.gz UIPPHNFLELONTR-GOSISDBHSA-N 0 0 382.287 4.732 40 10 GJCBRN Cc1ccc(Cn2cc(/C=C3/SC(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000113838625 231022489 /nfs/dbraw/zinc/02/24/89/231022489.db2.gz HPLHLSRMOGSIRM-YBFXNURJSA-N 0 0 378.522 4.829 40 10 GJCBRN Cc1cc([C@@H]2[NH2+]C[C@@H](C(=O)[O-])S2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408977833 231140075 /nfs/dbraw/zinc/14/00/75/231140075.db2.gz KEDYCBQSZLRFBX-LEWJYISDSA-N 0 0 378.497 4.549 40 10 GJCBRN Cc1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Br ZINC000409132387 231168829 /nfs/dbraw/zinc/16/88/29/231168829.db2.gz OIMZURFCCLAWRF-ZSOIEALJSA-N 0 0 394.315 4.849 40 10 GJCBRN Cc1ccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)cc1 ZINC000409349233 231193929 /nfs/dbraw/zinc/19/39/29/231193929.db2.gz UYTAKBUILCFNLC-BOPFTXTBSA-N 0 0 379.462 4.507 40 10 GJCBRN CCc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000409058170 529584410 /nfs/dbraw/zinc/58/44/10/529584410.db2.gz ITLMQXYMASRIHN-NOEYKIMYSA-N 0 0 375.468 4.683 40 10 GJCBRN CCc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000409058168 529584516 /nfs/dbraw/zinc/58/45/16/529584516.db2.gz ITLMQXYMASRIHN-KQRQPNSISA-N 0 0 375.468 4.683 40 10 GJCBRN CCc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1 ZINC000409068268 529584820 /nfs/dbraw/zinc/58/48/20/529584820.db2.gz KZJOSUIFAZYJCF-LGMDPLHJSA-N 0 0 381.859 4.780 40 10 GJCBRN CN(C)c1ccc(/C=C2\Sc3ccccc3NC2=O)cc1Br ZINC000409097989 529775001 /nfs/dbraw/zinc/77/50/01/529775001.db2.gz IAJWXMWOVMIIAY-YBEGLDIGSA-N 0 0 375.291 4.600 40 10 GJCBRN C[C@@H](Oc1ccccc1)C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000002043341 212261176 /nfs/dbraw/zinc/26/11/76/212261176.db2.gz QIZPNNNHISBEDU-LJQANCHMSA-N 0 0 390.527 4.522 40 10 GJCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 ZINC000005371890 206609121 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COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408892129 533267694 /nfs/dbraw/zinc/26/76/94/533267694.db2.gz GJYKYOGLGFKOHR-JCMHNJIXSA-N 0 0 399.446 4.726 40 10 GJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408893125 533265100 /nfs/dbraw/zinc/26/51/00/533265100.db2.gz KRYWTSKXCSDSOR-PTNGSMBKSA-N 0 0 394.298 4.999 40 10 GJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000409021375 533266238 /nfs/dbraw/zinc/26/62/38/533266238.db2.gz DWJYEXVPSBKFDN-UNOMPAQXSA-N 0 0 381.859 4.834 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408763226 533431353 /nfs/dbraw/zinc/43/13/53/533431353.db2.gz OKMIZTBTIZYCJB-XQNSMLJCSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OC ZINC000409349241 533472664 /nfs/dbraw/zinc/47/26/64/533472664.db2.gz VBJWGMMIFVODNG-XNTDXEJSSA-N 0 0 397.949 4.891 40 10 GJCBRN COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000409332453 533472742 /nfs/dbraw/zinc/47/27/42/533472742.db2.gz RPZYYUPCBJVWLP-RIYZIHGNSA-N 0 0 395.864 4.599 40 10 GJCBRN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065222419 136160305 /nfs/dbraw/zinc/16/03/05/136160305.db2.gz SQQHUYYSBPCFCW-KRWDZBQOSA-N 0 0 383.561 4.694 40 10 GJCBRN COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000217966626 136203553 /nfs/dbraw/zinc/20/35/53/136203553.db2.gz MHYYGDWDKCOQSE-QHSLDKKCSA-N 0 0 378.516 4.822 40 10 GJCBRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000218131661 136203599 /nfs/dbraw/zinc/20/35/99/136203599.db2.gz UUMBKCJQKLUJIZ-WBVHZDCISA-N 0 0 381.476 4.631 40 10 GJCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218687536 136203800 /nfs/dbraw/zinc/20/38/00/136203800.db2.gz ISBKFVHLBGJRJX-AQNXPRMDSA-N 0 0 380.532 4.876 40 10 GJCBRN C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218850144 136203821 /nfs/dbraw/zinc/20/38/21/136203821.db2.gz GLGDWJFKKBCMTB-SJORKVTESA-N 0 0 386.923 4.833 40 10 GJCBRN Cc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000218721841 136203869 /nfs/dbraw/zinc/20/38/69/136203869.db2.gz NXTTTYSGVPJMLW-YLJYHZDGSA-N 0 0 380.532 4.796 40 10 GJCBRN Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218972884 136203896 /nfs/dbraw/zinc/20/38/96/136203896.db2.gz QYHDTIDSPIUPFO-VQTJNVASSA-N 0 0 380.532 4.876 40 10 GJCBRN CC[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222865838 136205147 /nfs/dbraw/zinc/20/51/47/136205147.db2.gz JJIRPJIWGOVXKA-CVDCTZTESA-N 0 0 380.532 4.958 40 10 GJCBRN COc1ccc2c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c[nH]c2c1 ZINC000054360784 222013364 /nfs/dbraw/zinc/01/33/64/222013364.db2.gz CVUISSPRWAYCLB-NVMNQCDNSA-N 0 0 380.494 4.578 40 10 GJCBRN COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(O)cc2)C1=O ZINC000408763994 533952108 /nfs/dbraw/zinc/95/21/08/533952108.db2.gz VJFDGCAAPYBSPM-RCCKNPSSSA-N 0 0 384.435 4.544 40 10 GJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408763444 533959512 /nfs/dbraw/zinc/95/95/12/533959512.db2.gz FEEQSQIJEOGETB-CJLVFECKSA-N 0 0 396.446 4.616 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(C)cc1 ZINC000408847284 534004046 /nfs/dbraw/zinc/00/40/46/534004046.db2.gz URLOFUZQIFBPIY-RCCKNPSSSA-N 0 0 386.426 4.977 40 10 GJCBRN Cc1ccc([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(Br)cc2)OC1=O ZINC000408973372 534332392 /nfs/dbraw/zinc/33/23/92/534332392.db2.gz APHUQKVALUFYSW-ZSOIEALJSA-N 0 0 386.201 4.647 40 10 GJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccc(Cl)cc1 ZINC000103917846 528065425 /nfs/dbraw/zinc/06/54/25/528065425.db2.gz JXYINQJNHVVEQH-QNGOZBTKSA-N 0 0 397.906 4.915 40 10 GJCBRN CCOc1c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cccc1OC ZINC000409350106 528165953 /nfs/dbraw/zinc/16/59/53/528165953.db2.gz XGMSXPSDKJQLCS-ATVHPVEESA-N 0 0 385.510 4.808 40 10 GJCBRN CCOc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cccc1OC ZINC000409338945 528166720 /nfs/dbraw/zinc/16/67/20/528166720.db2.gz CJGUGDAKYOKFMF-VBKFSLOCSA-N 0 0 377.531 4.628 40 10 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CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)nc3)C2=O)cc1 ZINC000408986587 528370123 /nfs/dbraw/zinc/37/01/23/528370123.db2.gz QUBOGZGMXPJBGQ-HMMYKYKNSA-N 0 0 398.462 4.960 40 10 GJCBRN CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(C(=O)OC)=C2C)cc1 ZINC000408765965 528482410 /nfs/dbraw/zinc/48/24/10/528482410.db2.gz CBVUYRAYUJJSBF-UYRXBGFRSA-N 0 0 397.858 4.616 40 10 GJCBRN CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000409245459 528953875 /nfs/dbraw/zinc/95/38/75/528953875.db2.gz TZKYPAAIOSVDQG-JCMHNJIXSA-N 0 0 385.467 4.674 40 10 GJCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O ZINC000409012917 529349943 /nfs/dbraw/zinc/34/99/43/529349943.db2.gz RWNFHZVTZSGMHE-GNUZOCDUSA-N 0 0 397.544 4.995 40 10 GJCBRN COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1 ZINC000216728130 570305212 /nfs/dbraw/zinc/30/52/12/570305212.db2.gz QKPOKKAMKAFCIE-HXUWFJFHSA-N 0 0 399.288 4.784 40 10 GJCBRN CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)c1 ZINC000222563641 570414843 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385.510 4.726 40 10 GJCBRN COc1ccc(CCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 ZINC000005371844 570435622 /nfs/dbraw/zinc/43/56/22/570435622.db2.gz JOKWRKQRVNUWFQ-ATVHPVEESA-N 0 0 389.929 4.793 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408759344 570469169 /nfs/dbraw/zinc/46/91/69/570469169.db2.gz CLPWEXKTNDLGCH-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2cccc(C)c2)cc1 ZINC000408760290 570469785 /nfs/dbraw/zinc/46/97/85/570469785.db2.gz WEHSONJIIKOKKK-CJLVFECKSA-N 0 0 398.462 4.847 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408762238 570501438 /nfs/dbraw/zinc/50/14/38/570501438.db2.gz NUTGOWJVUCQAJW-CPNJWEJPSA-N 0 0 378.815 4.776 40 10 GJCBRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000224852683 570534096 /nfs/dbraw/zinc/53/40/96/570534096.db2.gz JBIQBMSWZRRIKN-IBGZPJMESA-N 0 0 392.543 4.639 40 10 GJCBRN Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 ZINC000408754684 570544671 /nfs/dbraw/zinc/54/46/71/570544671.db2.gz LEJAYXJSGOAVMS-RCCKNPSSSA-N 0 0 383.407 4.738 40 10 GJCBRN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225317174 570564395 /nfs/dbraw/zinc/56/43/95/570564395.db2.gz TXWANPPXKJRGSZ-MOPGFXCFSA-N 0 0 380.532 4.742 40 10 GJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(OC)c1 ZINC000225663492 570599875 /nfs/dbraw/zinc/59/98/75/570599875.db2.gz OALXCEWCIJUQOH-MRXNPFEDSA-N 0 0 399.560 4.742 40 10 GJCBRN COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225665185 570600090 /nfs/dbraw/zinc/60/00/90/570600090.db2.gz QCWDZABRYARCCW-MRXNPFEDSA-N 0 0 397.544 4.511 40 10 GJCBRN CCOc1ccccc1NC(=S)NCc1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225689907 570603702 /nfs/dbraw/zinc/60/37/02/570603702.db2.gz WQQUNJHYBLBWPQ-QGZVFWFLSA-N 0 0 383.561 4.808 40 10 GJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000058865970 570648843 /nfs/dbraw/zinc/64/88/43/570648843.db2.gz RQCXRJKRRRBZJW-UHFFFAOYSA-N 0 0 398.842 4.673 40 10 GJCBRN CCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000058883919 570650169 /nfs/dbraw/zinc/65/01/69/570650169.db2.gz NARZCPIPYNAJMA-UNOMPAQXSA-N 0 0 397.858 4.616 40 10 GJCBRN COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004959462 570652980 /nfs/dbraw/zinc/65/29/80/570652980.db2.gz AKNZEKOLMKDERA-TVZGQMOCSA-N 0 0 384.819 4.861 40 10 GJCBRN Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000059417978 570656591 /nfs/dbraw/zinc/65/65/91/570656591.db2.gz CWPLRGQIQCUONU-YVLHZVERSA-N 0 0 395.465 4.790 40 10 GJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409010745 570693187 /nfs/dbraw/zinc/69/31/87/570693187.db2.gz KWKYBVODDQFXCK-HYARGMPZSA-N 0 0 385.467 4.808 40 10 GJCBRN COc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260732785 570701166 /nfs/dbraw/zinc/70/11/66/570701166.db2.gz BFABXBHHTBUAGU-DLBZAZTESA-N 0 0 383.561 4.979 40 10 GJCBRN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCCC3)c(F)c2)S1 ZINC000260769186 570703415 /nfs/dbraw/zinc/70/34/15/570703415.db2.gz KLPIOOAPLGQPGF-IPHXSNPTSA-N 0 0 396.535 4.800 40 10 GJCBRN Cc1cc(N2CCCC2)c(C)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 ZINC000260772381 570704679 /nfs/dbraw/zinc/70/46/79/570704679.db2.gz NLIQHNLRUFOJIW-ZPMCFJSWSA-N 0 0 392.572 4.888 40 10 GJCBRN CC(NCCSc1ccc(C)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000017078323 570917749 /nfs/dbraw/zinc/91/77/49/570917749.db2.gz AMVYMYHSXWXTMB-HKWRFOASSA-N 0 0 383.492 4.513 40 10 GJCBRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(Cl)c2)S1 ZINC000222638843 222610545 /nfs/dbraw/zinc/61/05/45/222610545.db2.gz RFUMPHHEJSWRQP-KPOBHBOGSA-N 0 0 398.963 4.925 40 10 GJCBRN Cc1c(C)c(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594570 222610671 /nfs/dbraw/zinc/61/06/71/222610671.db2.gz UQAIIJIHOZQLHK-ARBPTSGCSA-N 0 0 392.572 4.888 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3ccccc3)C2=O)c1 ZINC000408849010 231121616 /nfs/dbraw/zinc/12/16/16/231121616.db2.gz YJBACNVDBLCLFH-LTGZKZEYSA-N 0 0 384.435 4.538 40 10 GJCBRN COCCn1c(C)cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c1C ZINC000409127442 231168561 /nfs/dbraw/zinc/16/85/61/231168561.db2.gz HMLWTUWDSQESEN-AQTBWJFISA-N 0 0 392.590 4.533 40 10 GJCBRN CCOC(=O)c1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 ZINC000027644679 212108241 /nfs/dbraw/zinc/10/82/41/212108241.db2.gz BVUUHWDKLASZTQ-NRFANRHFSA-N 0 0 399.450 4.714 40 10 GJCBRN CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000015134151 207047931 /nfs/dbraw/zinc/04/79/31/207047931.db2.gz TTXUYWUXJCDQIO-SXGWCWSVSA-N 0 0 375.653 4.909 40 10 GJCBRN Cc1ccc(Nc2cc(N(C)CCO)c3noc4c3c2C(=O)c2ccccc2-4)cc1 ZINC000078549666 208063649 /nfs/dbraw/zinc/06/36/49/208063649.db2.gz XSLJYMPVEVUQKH-UHFFFAOYSA-N 0 0 399.450 4.520 40 10 GJCBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3F)N21 ZINC000222676974 208881094 /nfs/dbraw/zinc/88/10/94/208881094.db2.gz XPWBYIODJRXRNA-GQWLDOHISA-N 0 0 396.535 4.800 40 10 GJCBRN Cc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1 ZINC000009188914 221074091 /nfs/dbraw/zinc/07/40/91/221074091.db2.gz OJCMGNFWWWWIII-PGMHBOJBSA-N 0 0 376.525 4.920 40 10 GJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3cccc(Cl)c3)C2=N)S1 ZINC000013280932 221264097 /nfs/dbraw/zinc/26/40/97/221264097.db2.gz RGYWOWTXSNAPCA-WSYITQDSSA-N 0 0 397.891 4.550 40 10 GJCBRN CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000013547623 221271192 /nfs/dbraw/zinc/27/11/92/221271192.db2.gz JYSDTPDSFJKWTB-AQTBWJFISA-N 0 0 385.510 4.890 40 10 GJCBRN CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC ZINC000015013202 221325933 /nfs/dbraw/zinc/32/59/33/221325933.db2.gz RWCUFXQRYVVJKC-BOPFTXTBSA-N 0 0 384.863 4.944 40 10 GJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408997968 533267464 /nfs/dbraw/zinc/26/74/64/533267464.db2.gz PLHPACFMBQHKSP-STZFKDTASA-N 0 0 399.446 4.731 40 10 GJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(Cl)c1Cl ZINC000408892587 533265632 /nfs/dbraw/zinc/26/56/32/533265632.db2.gz IOTFOHRQGCKNCW-PTNGSMBKSA-N 0 0 394.298 4.999 40 10 GJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(Cl)c1 ZINC000409013662 533266592 /nfs/dbraw/zinc/26/65/92/533266592.db2.gz CIMFLXSQADAJMR-UNOMPAQXSA-N 0 0 381.859 4.834 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 ZINC000409022333 533266715 /nfs/dbraw/zinc/26/67/15/533266715.db2.gz KIIAKUMTJMCULV-WQRHYEAKSA-N 0 0 381.859 4.834 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F ZINC000408995649 533269057 /nfs/dbraw/zinc/26/90/57/533269057.db2.gz CYDXFFWHQFCNGL-VBKFSLOCSA-N 0 0 387.357 4.583 40 10 GJCBRN COc1ccc(CN2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)SC2=S)cc1 ZINC000409137939 533552684 /nfs/dbraw/zinc/55/26/84/533552684.db2.gz YPXVNGFZXONLBI-ODLFYWEKSA-N 0 0 398.553 4.850 40 10 GJCBRN C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218726735 136203773 /nfs/dbraw/zinc/20/37/73/136203773.db2.gz IMNBNLMIVFNSAH-UXHICEINSA-N 0 0 380.532 4.959 40 10 GJCBRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218701512 136203790 /nfs/dbraw/zinc/20/37/90/136203790.db2.gz FTRIVJBPWDFEJQ-KZNAEPCWSA-N 0 0 384.495 4.707 40 10 GJCBRN C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218850074 136203801 /nfs/dbraw/zinc/20/38/01/136203801.db2.gz GLGDWJFKKBCMTB-IAGOWNOFSA-N 0 0 386.923 4.833 40 10 GJCBRN COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218750885 136203826 /nfs/dbraw/zinc/20/38/26/136203826.db2.gz WJOSLVNGFBIHOW-MOPGFXCFSA-N 0 0 396.531 4.576 40 10 GJCBRN COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219306236 136204092 /nfs/dbraw/zinc/20/40/92/136204092.db2.gz VWPVPWFJFCUBMP-QYZOEREBSA-N 0 0 396.531 4.576 40 10 GJCBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S ZINC000409206272 533726468 /nfs/dbraw/zinc/72/64/68/533726468.db2.gz SKPGCCVUYWCJLA-RIYZIHGNSA-N 0 0 383.325 4.949 40 10 GJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1OC)N2 ZINC000409164920 534162825 /nfs/dbraw/zinc/16/28/25/534162825.db2.gz PQVBJRUMPFAKBE-VLXJIEOASA-N 0 0 399.874 4.970 40 10 GJCBRN COC(=O)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000006950639 534286338 /nfs/dbraw/zinc/28/63/38/534286338.db2.gz DXIQTOOQVNHRSN-ZJNRKIDTSA-N 0 0 384.819 4.861 40 10 GJCBRN CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNc1cc(C)c([N+](=O)[O-])cc1C ZINC000408529332 528150356 /nfs/dbraw/zinc/15/03/56/528150356.db2.gz HNMWOPRRUKWSKG-YBEGLDIGSA-N 0 0 398.850 4.892 40 10 GJCBRN CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 ZINC000408814481 528291821 /nfs/dbraw/zinc/29/18/21/528291821.db2.gz HCDPDRMJJFOBNA-UYRXBGFRSA-N 0 0 383.517 4.606 40 10 GJCBRN CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1 ZINC000408902722 528293302 /nfs/dbraw/zinc/29/33/02/528293302.db2.gz QMCSUOYRVPQENI-CPNJWEJPSA-N 0 0 398.553 4.947 40 10 GJCBRN CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408764412 528367803 /nfs/dbraw/zinc/36/78/03/528367803.db2.gz RVTXPCQXGFADNN-HAVVHWLPSA-N 0 0 398.462 4.928 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCC ZINC000409002974 528616046 /nfs/dbraw/zinc/61/60/46/528616046.db2.gz XQKGCWQAFPUAPQ-HKWRFOASSA-N 0 0 391.467 4.661 40 10 GJCBRN COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218751004 536857076 /nfs/dbraw/zinc/85/70/76/536857076.db2.gz YFBSMINBLPQVAH-QYZOEREBSA-N 0 0 396.531 4.576 40 10 GJCBRN COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1 ZINC000216727261 570305196 /nfs/dbraw/zinc/30/51/96/570305196.db2.gz BMBYCFMNZJQDEF-FQEVSTJZSA-N 0 0 399.288 4.784 40 10 GJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 ZINC000222826607 570427971 /nfs/dbraw/zinc/42/79/71/570427971.db2.gz KLEXGXRMMZIADJ-YADHBBJMSA-N 0 0 390.556 4.870 40 10 GJCBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1ccccc1 ZINC000222853885 570428945 /nfs/dbraw/zinc/42/89/45/570428945.db2.gz NGZUOHCJMRQWLC-NHCUHLMSSA-N 0 0 376.529 4.562 40 10 GJCBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccc2ccccc12 ZINC000005234697 570432008 /nfs/dbraw/zinc/43/20/08/570432008.db2.gz BKZZYTBHGDGANI-XLNRJJMWSA-N 0 0 399.519 4.632 40 10 GJCBRN COc1ccc(CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 ZINC000005372170 570435707 /nfs/dbraw/zinc/43/57/07/570435707.db2.gz ABRYOUURINIJGY-VNVABUEJSA-N 0 0 381.522 4.695 40 10 GJCBRN CCc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 ZINC000005372251 570435746 /nfs/dbraw/zinc/43/57/46/570435746.db2.gz WNQZFSZAZGUZSM-WQRHYEAKSA-N 0 0 385.510 4.672 40 10 GJCBRN COc1ccc(NC2=NC(=O)C(=Cc3cccc4ccccc34)S2)c(OC)c1 ZINC000005520335 570444049 /nfs/dbraw/zinc/44/40/49/570444049.db2.gz MYKNUYQJXWOCDZ-NDENLUEZSA-N 0 0 390.464 4.939 40 10 GJCBRN CSc1ccc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1 ZINC000008169624 570468821 /nfs/dbraw/zinc/46/88/21/570468821.db2.gz JBFWVXUJEHSCMH-SFHVURJKSA-N 0 0 387.595 4.813 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408759320 570469022 /nfs/dbraw/zinc/46/90/22/570469022.db2.gz CDIUVLPTLRVQQQ-PXLXIMEGSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccc(O)cc2)C1=O ZINC000408759899 570469778 /nfs/dbraw/zinc/46/97/78/570469778.db2.gz NRHAUOZWOLQTOZ-RCCKNPSSSA-N 0 0 384.435 4.544 40 10 GJCBRN Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Cl)cc1Cl ZINC000223949804 570491395 /nfs/dbraw/zinc/49/13/95/570491395.db2.gz CQGQWNFPJDECRP-UHFFFAOYSA-N 0 0 395.359 4.784 40 10 GJCBRN CCN(CC)c1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000224158935 570501554 /nfs/dbraw/zinc/50/15/54/570501554.db2.gz DJVITXLMBDDGRX-UHFFFAOYSA-N 0 0 381.303 4.535 40 10 GJCBRN FC(F)(F)c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 ZINC000225423340 570572567 /nfs/dbraw/zinc/57/25/67/570572567.db2.gz HJHDIOXEFNWDPM-UHFFFAOYSA-N 0 0 379.451 4.792 40 10 GJCBRN C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000225703126 570606008 /nfs/dbraw/zinc/60/60/08/570606008.db2.gz SINHALCXTALCRX-HXUWFJFHSA-N 0 0 392.543 4.603 40 10 GJCBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004839122 570633898 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4.947 40 10 GJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000408647115 533720419 /nfs/dbraw/zinc/72/04/19/533720419.db2.gz SHHVMPGQBRGSEM-UHFFFAOYSA-N 0 0 376.456 4.506 40 10 GJCBRN COc1cc(Cl)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408902772 533925693 /nfs/dbraw/zinc/92/56/93/533925693.db2.gz RFUKTSUIPJIZHF-CXUHLZMHSA-N 0 0 391.901 4.763 40 10 GJCBRN COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccc(F)cc2)C1=O ZINC000408766156 533952379 /nfs/dbraw/zinc/95/23/79/533952379.db2.gz ZVCWEFQPFXIRFQ-RCCKNPSSSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1ccc(Cl)cc1 ZINC000408846702 534004056 /nfs/dbraw/zinc/00/40/56/534004056.db2.gz YPPLEAAWELNDLI-QGOAFFKASA-N 0 0 378.815 4.776 40 10 GJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000409164921 534163084 /nfs/dbraw/zinc/16/30/84/534163084.db2.gz PQVBJRUMPFAKBE-VPZZIHKRSA-N 0 0 399.874 4.970 40 10 GJCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(Br)o1 ZINC000408742973 534805949 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Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 ZINC000222739817 570423206 /nfs/dbraw/zinc/42/32/06/570423206.db2.gz MWYNKCDRDOIHCQ-PMACEKPBSA-N 0 0 396.947 4.745 40 10 GJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000222783735 570425918 /nfs/dbraw/zinc/42/59/18/570425918.db2.gz YNLDXKXYPKFDTQ-RTWAWAEBSA-N 0 0 394.519 4.621 40 10 GJCBRN CCCCOc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1OC ZINC000005371412 570435482 /nfs/dbraw/zinc/43/54/82/570435482.db2.gz VKOZNKZQFIQVSW-VBKFSLOCSA-N 0 0 379.547 4.874 40 10 GJCBRN O=C(c1ccc(Cl)cc1)N1C(=O)/C(=C\c2ccccc2F)SC1=S ZINC000005583202 570447798 /nfs/dbraw/zinc/44/77/98/570447798.db2.gz UVVIXYJLNXPTEH-NTEUORMPSA-N 0 0 377.849 4.521 40 10 GJCBRN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccco2)cc1 ZINC000002363632 570543807 /nfs/dbraw/zinc/54/38/07/570543807.db2.gz VTKMGSYJFSCPMA-SSPYTLHUSA-N 0 0 396.531 4.634 40 10 GJCBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408755990 570545456 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ZINC000408753120 231112129 /nfs/dbraw/zinc/11/21/29/231112129.db2.gz HWROZGWZHLULQX-RCCKNPSSSA-N 0 0 383.407 4.738 40 10 GJCBRN CCOc1ccccc1/C=C1\C(=O)N(CCC2=CCCCC2)C(C)=C1C(=O)OC ZINC000409051122 231151506 /nfs/dbraw/zinc/15/15/06/231151506.db2.gz AFXAQGVYBQOEIN-SILNSSARSA-N 0 0 395.499 4.648 40 10 GJCBRN Cc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)n1C1CC1 ZINC000409131991 231168915 /nfs/dbraw/zinc/16/89/15/231168915.db2.gz OAHFJPVJEDIURB-UYRXBGFRSA-N 0 0 382.554 4.884 40 10 GJCBRN Cc1cc(/C=C2\NC(=S)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000409140516 231170160 /nfs/dbraw/zinc/17/01/60/231170160.db2.gz FDUUECWWZHQPEB-STZFKDTASA-N 0 0 393.556 4.829 40 10 GJCBRN O=C1N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000409246648 231187631 /nfs/dbraw/zinc/18/76/31/231187631.db2.gz KDAFQCAKIINHJK-CJLVFECKSA-N 0 0 397.478 4.533 40 10 GJCBRN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409250062 231187730 /nfs/dbraw/zinc/18/77/30/231187730.db2.gz MFPSIQSUVALVFW-HYARGMPZSA-N 0 0 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/nfs/dbraw/zinc/14/50/46/221145046.db2.gz HZJGSOFWAIFHNG-FHXOWUIVSA-N 0 0 385.510 4.666 40 10 GJCBRN CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000016160862 221358219 /nfs/dbraw/zinc/35/82/19/221358219.db2.gz ZOJCOSBGEOSVJK-YVLHZVERSA-N 0 0 380.245 4.737 40 10 GJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 ZINC000408769755 533267224 /nfs/dbraw/zinc/26/72/24/533267224.db2.gz OMUQJTIDEPIMEV-STZFKDTASA-N 0 0 375.468 4.996 40 10 GJCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408998872 533267429 /nfs/dbraw/zinc/26/74/29/533267429.db2.gz SLLWPVZOARREOG-LFIBNONCSA-N 0 0 385.822 4.665 40 10 GJCBRN COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000006348222 533265448 /nfs/dbraw/zinc/26/54/48/533265448.db2.gz MNBMPUGFFFZLKW-ZROIWOOFSA-N 0 0 380.271 4.609 40 10 GJCBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000409021855 533266296 /nfs/dbraw/zinc/26/62/96/533266296.db2.gz CFLRDHGEAUROFE-MOSHPQCFSA-N 0 0 393.508 4.903 40 10 GJCBRN COc1ccc2ccccc2c1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409193184 533339675 /nfs/dbraw/zinc/33/96/75/533339675.db2.gz DVMWJQYDBOZLNE-XDHOZWIPSA-N 0 0 394.521 4.804 40 10 GJCBRN COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1C ZINC000409039077 533472735 /nfs/dbraw/zinc/47/27/35/533472735.db2.gz QJUCSWISPBPULP-WDZFZDKYSA-N 0 0 396.315 4.505 40 10 GJCBRN COc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C(C)C ZINC000409085528 533565259 /nfs/dbraw/zinc/56/52/59/533565259.db2.gz SIQDNHHYXPUSOM-YQYFLZKSSA-N 0 0 391.558 4.507 40 10 GJCBRN Cc1c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000217876008 136203400 /nfs/dbraw/zinc/20/34/00/136203400.db2.gz HHKOZKNMGZRCJK-QGZVFWFLSA-N 0 0 381.476 4.631 40 10 GJCBRN COc1ccccc1/C=C/C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217966815 136203543 /nfs/dbraw/zinc/20/35/43/136203543.db2.gz UKXSKKANGZSLHG-WIGMZFAJSA-N 0 0 378.516 4.822 40 10 GJCBRN Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000218687050 136203804 /nfs/dbraw/zinc/20/38/04/136203804.db2.gz VUWBEOXGTKCJOT-PMACEKPBSA-N 0 0 380.532 4.876 40 10 GJCBRN C[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218701666 136203840 /nfs/dbraw/zinc/20/38/40/136203840.db2.gz FTRIVJBPWDFEJQ-KURKYZTESA-N 0 0 384.495 4.707 40 10 GJCBRN COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219306266 136204102 /nfs/dbraw/zinc/20/41/02/136204102.db2.gz VWPVPWFJFCUBMP-CEXWTWQISA-N 0 0 396.531 4.576 40 10 GJCBRN COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219501998 136204279 /nfs/dbraw/zinc/20/42/79/136204279.db2.gz JDZULWSARDUKLS-RBUKOAKNSA-N 0 0 396.531 4.576 40 10 GJCBRN C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222770664 136204999 /nfs/dbraw/zinc/20/49/99/136204999.db2.gz IMYFLPNMOPMCIP-SJORKVTESA-N 0 0 386.923 4.833 40 10 GJCBRN Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000222828858 136205088 /nfs/dbraw/zinc/20/50/88/136205088.db2.gz SAOLZWPDBHSBGK-FQEVSTJZSA-N 0 0 380.532 4.796 40 10 GJCBRN C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 ZINC000224369895 136207018 /nfs/dbraw/zinc/20/70/18/136207018.db2.gz FDVZYYUUSOAVGT-IBGZPJMESA-N 0 0 392.543 4.812 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1cccc(C)c1 ZINC000408841337 534003499 /nfs/dbraw/zinc/00/34/99/534003499.db2.gz GJNBSMWZYZVWLS-RCCKNPSSSA-N 0 0 386.426 4.977 40 10 GJCBRN COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000408843985 534005768 /nfs/dbraw/zinc/00/57/68/534005768.db2.gz SYGOJZYLMOFZHV-OQKWZONESA-N 0 0 397.478 4.596 40 10 GJCBRN O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000106690106 534824611 /nfs/dbraw/zinc/82/46/11/534824611.db2.gz MEAVTTUWTYNTLA-UYRXBGFRSA-N 0 0 382.460 4.662 40 10 GJCBRN CC(=O)Nc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409328272 526936094 /nfs/dbraw/zinc/93/60/94/526936094.db2.gz RBWCNLCAJBHXAW-WOJGMQOQSA-N 0 0 382.510 4.668 40 10 GJCBRN CC(NCCSc1ccc(Cl)cc1)=C1C(=O)N(c2ccccc2)N=C1C ZINC000103916385 527540115 /nfs/dbraw/zinc/54/01/15/527540115.db2.gz KBXBLZSWMZWVEH-RGEXLXHISA-N 0 0 385.920 4.718 40 10 GJCBRN CC(Nc1cccc2ccccc21)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112122252 527540590 /nfs/dbraw/zinc/54/05/90/527540590.db2.gz RBMZMXWENFTZNM-STZFKDTASA-N 0 0 386.411 4.857 40 10 GJCBRN CCCN1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S ZINC000409344726 528161934 /nfs/dbraw/zinc/16/19/34/528161934.db2.gz IDECRSAAXSJFBP-CYVLTUHYSA-N 0 0 399.537 4.756 40 10 GJCBRN CCN(CC)c1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 ZINC000408978405 528293624 /nfs/dbraw/zinc/29/36/24/528293624.db2.gz ZMCVCRKRWIPLCJ-LGMDPLHJSA-N 0 0 379.456 4.531 40 10 GJCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1 ZINC000409056321 528369612 /nfs/dbraw/zinc/36/96/12/528369612.db2.gz CPDXOXZYSGUZQF-LGMDPLHJSA-N 0 0 397.858 4.616 40 10 GJCBRN CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408894928 528615678 /nfs/dbraw/zinc/61/56/78/528615678.db2.gz SGXQAHCAQRVXPU-ZROIWOOFSA-N 0 0 382.287 4.712 40 10 GJCBRN CCCCOc1ccc(/C=C2/C=C(c3ccc(OC)cc3OC)OC2=O)cc1 ZINC000408722577 528657832 /nfs/dbraw/zinc/65/78/32/528657832.db2.gz LDCYMJQXBJDPJX-LGMDPLHJSA-N 0 0 380.440 4.864 40 10 GJCBRN CCN1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000409349179 528942964 /nfs/dbraw/zinc/94/29/64/528942964.db2.gz UTLFNDJMHVADTK-SXGWCWSVSA-N 0 0 388.470 4.693 40 10 GJCBRN Cc1ccc2nc(CC(=O)c3ccccc3)c(CC(=O)c3ccccc3)nc2c1 ZINC000104241283 570299827 /nfs/dbraw/zinc/29/98/27/570299827.db2.gz QHLUXQFWOQUJKX-UHFFFAOYSA-N 0 0 380.447 4.789 40 10 GJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 ZINC000222592927 570415709 /nfs/dbraw/zinc/41/57/09/570415709.db2.gz KEFZTZMQWLSRCJ-DQLDELGASA-N 0 0 378.545 4.580 40 10 GJCBRN Cc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222592640 570415794 /nfs/dbraw/zinc/41/57/94/570415794.db2.gz XYVUGQRFUALDNR-DQLDELGASA-N 0 0 378.545 4.580 40 10 GJCBRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)ccc1C ZINC000222744310 570423542 /nfs/dbraw/zinc/42/35/42/570423542.db2.gz WOYCRHPAYNOLON-YADHBBJMSA-N 0 0 390.556 4.708 40 10 GJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C ZINC000222783972 570425863 /nfs/dbraw/zinc/42/58/63/570425863.db2.gz IBNXTAZHFMRHLO-RTWAWAEBSA-N 0 0 394.519 4.621 40 10 GJCBRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000222899183 570430627 /nfs/dbraw/zinc/43/06/27/570430627.db2.gz AXNYWNGVXLODJR-RTWAWAEBSA-N 0 0 376.529 4.563 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000005214860 570431616 /nfs/dbraw/zinc/43/16/16/570431616.db2.gz WGQTUSAFXFZEHI-FKJKDRHESA-N 0 0 398.465 4.565 40 10 GJCBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 ZINC000222943473 570432387 /nfs/dbraw/zinc/43/23/87/570432387.db2.gz YDLWQKLMLMVQDW-FCHUYYIVSA-N 0 0 390.556 4.809 40 10 GJCBRN CCCCc1ccc(NC2=NC(=O)C(=C3C(=O)Nc4ccc(F)cc43)S2)cc1 ZINC000005373348 570435615 /nfs/dbraw/zinc/43/56/15/570435615.db2.gz VZYHIOHHDYNDDV-ZCXUNETKSA-N 0 0 395.459 4.573 40 10 GJCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Br)o2)cc1 ZINC000227148032 570462336 /nfs/dbraw/zinc/46/23/36/570462336.db2.gz QACTZSNKHMNMIG-ZRDIBKRKSA-N 0 0 383.245 4.943 40 10 GJCBRN COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)c1 ZINC000408759754 570469673 /nfs/dbraw/zinc/46/96/73/570469673.db2.gz LALRSNDJPOCRJQ-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260466298 570493683 /nfs/dbraw/zinc/49/36/83/570493683.db2.gz MUEQJKPAKGNPMZ-READLGFQSA-N 0 0 378.516 4.822 40 10 GJCBRN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466179 570493731 /nfs/dbraw/zinc/49/37/31/570493731.db2.gz HFBLIWWXYSBMPM-DRRZOZHPSA-N 0 0 393.487 4.722 40 10 GJCBRN C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466187 570493806 /nfs/dbraw/zinc/49/38/06/570493806.db2.gz HFGFSMYXEVSCCH-DQADQBJQSA-N 0 0 393.487 4.722 40 10 GJCBRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000225350809 570566295 /nfs/dbraw/zinc/56/62/95/570566295.db2.gz YDEXMIXONRVJOZ-LJQANCHMSA-N 0 0 380.532 4.802 40 10 GJCBRN C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])ccc3c4c(c(=O)oc31)CCCC4)C2 ZINC000004422075 570629250 /nfs/dbraw/zinc/62/92/50/570629250.db2.gz SCSBZQIUAIKSBS-OWJWWREXSA-N 0 0 381.516 4.778 40 10 GJCBRN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br ZINC000033784876 570646534 /nfs/dbraw/zinc/64/65/34/570646534.db2.gz KSFAPIKJVFYPIE-UVTDQMKNSA-N 0 0 399.379 4.516 40 10 GJCBRN Cc1ccc2c(c1NC(=O)c1ccccc1Cl)C(=O)c1ccccc1C2=O ZINC000005002811 570652741 /nfs/dbraw/zinc/65/27/41/570652741.db2.gz AZWBUCPUHYODFZ-UHFFFAOYSA-N 0 0 375.811 4.676 40 10 GJCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3cccc(F)c3)C2=O)cc1 ZINC000059377683 570655435 /nfs/dbraw/zinc/65/54/35/570655435.db2.gz HBGCLKUGOLHHMF-XDHOZWIPSA-N 0 0 399.491 4.778 40 10 GJCBRN COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(OC)c1C ZINC000409053643 570696531 /nfs/dbraw/zinc/69/65/31/570696531.db2.gz NUJQQAKEXUSEMQ-WQRHYEAKSA-N 0 0 399.537 4.722 40 10 GJCBRN C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260732832 570701257 /nfs/dbraw/zinc/70/12/57/570701257.db2.gz BTWSBIAMBGZEBK-JKSUJKDBSA-N 0 0 397.544 4.699 40 10 GJCBRN CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)c1 ZINC000260784271 570705198 /nfs/dbraw/zinc/70/51/98/570705198.db2.gz VPMZQZFYZVJLTR-MAODMQOUSA-N 0 0 380.561 4.826 40 10 GJCBRN COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260905936 570714127 /nfs/dbraw/zinc/71/41/27/570714127.db2.gz TXWANPPXKJRGSZ-RBUKOAKNSA-N 0 0 380.532 4.742 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001091438 570714632 /nfs/dbraw/zinc/71/46/32/570714632.db2.gz SEWSRQDSFIVLRM-CJLVFECKSA-N 0 0 384.435 4.538 40 10 GJCBRN CCN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S ZINC000006938234 570750952 /nfs/dbraw/zinc/75/09/52/570750952.db2.gz SOMSFQMCZGKZRU-DHZHZOJOSA-N 0 0 395.267 4.740 40 10 GJCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006950524 570751428 /nfs/dbraw/zinc/75/14/28/570751428.db2.gz GKXXLJVBDKWXLL-LPMFXHHGSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C(CSCc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113083 570782417 /nfs/dbraw/zinc/78/24/17/570782417.db2.gz XTAPEAFKIAZXKM-UHFFFAOYSA-N 0 0 388.964 4.880 40 10 GJCBRN O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000015009731 570901235 /nfs/dbraw/zinc/90/12/35/570901235.db2.gz NBSZPSVARFCTPC-XNTDXEJSSA-N 0 0 390.327 4.851 40 10 GJCBRN Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260577771 570921123 /nfs/dbraw/zinc/92/11/23/570921123.db2.gz LDSCQGDEKDZPBF-YSIASYRMSA-N 0 0 380.532 4.876 40 10 GJCBRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260578960 570921569 /nfs/dbraw/zinc/92/15/69/570921569.db2.gz XXICSNDSFIKICD-RBUKOAKNSA-N 0 0 380.532 4.742 40 10 GJCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000226738360 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ZINC000408758615 570454883 /nfs/dbraw/zinc/45/48/83/570454883.db2.gz NVCPHIWOLCXLJZ-PXLXIMEGSA-N 0 0 384.435 4.544 40 10 GJCBRN COC(=O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000006179981 570471182 /nfs/dbraw/zinc/47/11/82/570471182.db2.gz PMASITAHIREIJM-QWQRMKEZSA-N 0 0 384.819 4.861 40 10 GJCBRN Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260453305 570492106 /nfs/dbraw/zinc/49/21/06/570492106.db2.gz ISBKFVHLBGJRJX-XUVXKRRUSA-N 0 0 380.532 4.876 40 10 GJCBRN CCOC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 ZINC000027644755 570542603 /nfs/dbraw/zinc/54/26/03/570542603.db2.gz AOTYQFFSROTLFT-NRFANRHFSA-N 0 0 399.450 4.714 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2cccc(C)c2)cc1 ZINC000408756250 570545446 /nfs/dbraw/zinc/54/54/46/570545446.db2.gz YIULUYQETCDYIM-CJLVFECKSA-N 0 0 398.462 4.847 40 10 GJCBRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000225350766 570566365 /nfs/dbraw/zinc/56/63/65/570566365.db2.gz 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ZINC000260781594 570706029 /nfs/dbraw/zinc/70/60/29/570706029.db2.gz TZLQGSPUUHLXKQ-IPHXSNPTSA-N 0 0 396.535 4.719 40 10 GJCBRN COC(=O)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000001461872 570715433 /nfs/dbraw/zinc/71/54/33/570715433.db2.gz AKNZEKOLMKDERA-PJFSTRORSA-N 0 0 384.819 4.861 40 10 GJCBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000013674759 570771822 /nfs/dbraw/zinc/77/18/22/570771822.db2.gz BJNUXRYEASBVDC-UXBLZVDNSA-N 0 0 375.299 4.923 40 10 GJCBRN CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(C)c1 ZINC000014406625 570891550 /nfs/dbraw/zinc/89/15/50/570891550.db2.gz VOXWSTMFTCVLJM-STZFKDTASA-N 0 0 375.468 4.879 40 10 GJCBRN COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260578092 570921620 /nfs/dbraw/zinc/92/16/20/570921620.db2.gz VWPVPWFJFCUBMP-GBESFXJTSA-N 0 0 396.531 4.576 40 10 GJCBRN Cc1cc(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222592772 222610679 /nfs/dbraw/zinc/61/06/79/222610679.db2.gz 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Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1Cc1ccccc1 ZINC000409241787 231186553 /nfs/dbraw/zinc/18/65/53/231186553.db2.gz YPGQEUVVKTZJNA-OEAKJJBVSA-N 0 0 399.494 4.555 40 10 GJCBRN Cc1cc(/C=C2/SC(=S)N(C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409339178 231191674 /nfs/dbraw/zinc/19/16/74/231191674.db2.gz SNIYKWCJAFGXAK-OVCLIPMQSA-N 0 0 396.459 4.944 40 10 GJCBRN Cc1cccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)c1 ZINC000409369698 231195730 /nfs/dbraw/zinc/19/57/30/231195730.db2.gz FARZLFHKXFHMRM-LICLKQGHSA-N 0 0 379.462 4.507 40 10 GJCBRN CCc1cccc2c(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)c[nH]c21 ZINC000409194449 529549180 /nfs/dbraw/zinc/54/91/80/529549180.db2.gz CAHSTFWXTMMKTO-YVLHZVERSA-N 0 0 381.526 4.686 40 10 GJCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000225803173 222697650 /nfs/dbraw/zinc/69/76/50/222697650.db2.gz RSWAUWVIHNOJOM-SFHVURJKSA-N 0 0 382.548 4.914 40 10 GJCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1c(C)cccc1C ZINC000103563371 206253511 /nfs/dbraw/zinc/25/35/11/206253511.db2.gz BPDGVFDSZZXECG-ONBPWHQPSA-N 0 0 390.512 4.878 40 10 GJCBRN Nc1c(Br)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000004830825 206559268 /nfs/dbraw/zinc/55/92/68/206559268.db2.gz BMIJUARACLJZMP-UHFFFAOYSA-N 0 0 393.240 4.550 40 10 GJCBRN COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000015008353 207039758 /nfs/dbraw/zinc/03/97/58/207039758.db2.gz OQXVVTYQVLFEEA-WOJGMQOQSA-N 0 0 385.510 4.726 40 10 GJCBRN CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000038752831 207560308 /nfs/dbraw/zinc/56/03/08/207560308.db2.gz CBPUCGKDNJKPNK-LJQANCHMSA-N 0 0 380.532 4.884 40 10 GJCBRN CCOc1cc2c(cc1OCC)[C@@H](c1cc(Cl)cc(Cl)c1[O-])[NH2+]CC2 ZINC000022063320 208811425 /nfs/dbraw/zinc/81/14/25/208811425.db2.gz UIPPHNFLELONTR-SFHVURJKSA-N 0 0 382.287 4.732 40 10 GJCBRN Cc1cc(N2CCCC2)c(F)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222589691 208878045 /nfs/dbraw/zinc/87/80/45/208878045.db2.gz TZLQGSPUUHLXKQ-JHVJFLLYSA-N 0 0 396.535 4.719 40 10 GJCBRN CC(=O)c1cccc(NC(=O)Nc2nc3ccccc3n2Cc2ccccc2)c1 ZINC000027923134 208925497 /nfs/dbraw/zinc/92/54/97/208925497.db2.gz VDYPCSGPQSWFIH-UHFFFAOYSA-N 0 0 384.439 4.931 40 10 GJCBRN Cc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000033626363 208996954 /nfs/dbraw/zinc/99/69/54/208996954.db2.gz GTRBHBPZAWZTOO-MOSHPQCFSA-N 0 0 391.858 4.845 40 10 GJCBRN COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000041077617 209095539 /nfs/dbraw/zinc/09/55/39/209095539.db2.gz OBCYSJSNSKOGJF-FDIDITGRSA-N 0 0 385.510 4.666 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000408891930 533268509 /nfs/dbraw/zinc/26/85/09/533268509.db2.gz FPEJFJJEVICDDG-PTNGSMBKSA-N 0 0 388.250 4.871 40 10 GJCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000058883536 533265357 /nfs/dbraw/zinc/26/53/57/533265357.db2.gz QWZDQBBBEBQBEG-HKWRFOASSA-N 0 0 381.516 4.989 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000409022439 533266340 /nfs/dbraw/zinc/26/63/40/533266340.db2.gz NWFHSEPARDQWQB-WQRHYEAKSA-N 0 0 397.858 4.534 40 10 GJCBRN COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000408770306 533266439 /nfs/dbraw/zinc/26/64/39/533266439.db2.gz VWXJHABDSBJDJT-CPOQMQJTSA-N 0 0 393.508 4.842 40 10 GJCBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 ZINC000208220077 136202836 /nfs/dbraw/zinc/20/28/36/136202836.db2.gz NXNGYILHSVKAKD-SMEDBKPVSA-N 0 0 389.499 4.502 40 10 GJCBRN Cc1cc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc(C)c1Cl ZINC000218923132 136203877 /nfs/dbraw/zinc/20/38/77/136203877.db2.gz QQBJOGMMPCDRCU-UHFFFAOYSA-N 0 0 386.923 4.642 40 10 GJCBRN Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218951697 136203900 /nfs/dbraw/zinc/20/39/00/136203900.db2.gz PFZHRDANHMJVCB-QUCCMNQESA-N 0 0 380.532 4.796 40 10 GJCBRN COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000219306296 136204133 /nfs/dbraw/zinc/20/41/33/136204133.db2.gz VWPVPWFJFCUBMP-QRVBRYPASA-N 0 0 396.531 4.576 40 10 GJCBRN COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219502143 136204210 /nfs/dbraw/zinc/20/42/10/136204210.db2.gz JDZULWSARDUKLS-RTBURBONSA-N 0 0 396.531 4.576 40 10 GJCBRN COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000222559911 136204839 /nfs/dbraw/zinc/20/48/39/136204839.db2.gz ZYYDBZVUQUDSJT-IBGZPJMESA-N 0 0 380.532 4.660 40 10 GJCBRN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 ZINC000222595047 136204891 /nfs/dbraw/zinc/20/48/91/136204891.db2.gz RPDFQMPIONQKCM-NQERJWCQSA-N 0 0 396.535 4.800 40 10 GJCBRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCCC3)cc2F)S1 ZINC000222595118 136204917 /nfs/dbraw/zinc/20/49/17/136204917.db2.gz RPDFQMPIONQKCM-JHVJFLLYSA-N 0 0 396.535 4.800 40 10 GJCBRN Cc1cc(N2CCCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222594901 136204981 /nfs/dbraw/zinc/20/49/81/136204981.db2.gz IHFJHYBEXUAICF-BULFRSBZSA-N 0 0 392.572 4.970 40 10 GJCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1c(C)cccc1C ZINC000100507601 222459471 /nfs/dbraw/zinc/45/94/71/222459471.db2.gz GPBHVXNSWMEHBA-BOPFTXTBSA-N 0 0 384.277 4.784 40 10 GJCBRN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CN=c1[nH]c2ccc(C)cc2s1 ZINC000100552381 222459500 /nfs/dbraw/zinc/45/95/00/222459500.db2.gz UHFCPIPEJGQVCA-BOPFTXTBSA-N 0 0 376.485 4.940 40 10 GJCBRN Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S ZINC000409198075 533727424 /nfs/dbraw/zinc/72/74/24/533727424.db2.gz WIORUNRQBOPSIQ-PDGQHHTCSA-N 0 0 380.494 4.902 40 10 GJCBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000409068060 533912175 /nfs/dbraw/zinc/91/21/75/533912175.db2.gz SOUQAQSVJWGBGU-MOSHPQCFSA-N 0 0 396.487 4.971 40 10 GJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000409168638 534162603 /nfs/dbraw/zinc/16/26/03/534162603.db2.gz NJRFFPBBAXEHTD-QWQRMKEZSA-N 0 0 384.819 4.861 40 10 GJCBRN CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409248845 528174813 /nfs/dbraw/zinc/17/48/13/528174813.db2.gz RPXGWCWBVLQXJL-MFOYZWKCSA-N 0 0 392.286 4.704 40 10 GJCBRN CC[C@@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000222865901 535818111 /nfs/dbraw/zinc/81/81/11/535818111.db2.gz JJIRPJIWGOVXKA-AUSIDOKSSA-N 0 0 380.532 4.958 40 10 GJCBRN CCOc1cc([C@@H](Nc2cccnc2)c2ccc3cccnc3c2O)ccc1O ZINC000004414024 570374491 /nfs/dbraw/zinc/37/44/91/570374491.db2.gz PSDYGWAYBMFJSE-OAQYLSRUSA-N 0 0 387.439 4.641 40 10 GJCBRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)OC(C)(C)C)cc1 ZINC000102957450 570416902 /nfs/dbraw/zinc/41/69/02/570416902.db2.gz BJHFKWLEPHLHKP-GHVJWSGMSA-N 0 0 383.448 4.667 40 10 GJCBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(C)c3)N21 ZINC000222676480 570420211 /nfs/dbraw/zinc/42/02/11/570420211.db2.gz GXQQBLYHASZPFY-YUXAGFNASA-N 0 0 392.572 4.970 40 10 GJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(Cl)c1 ZINC000222739749 570423205 /nfs/dbraw/zinc/42/32/05/570423205.db2.gz MWYNKCDRDOIHCQ-VQTJNVASSA-N 0 0 396.947 4.745 40 10 GJCBRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000222784268 570425848 /nfs/dbraw/zinc/42/58/48/570425848.db2.gz AXHGPIUJPOMDBH-RTWAWAEBSA-N 0 0 394.519 4.621 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000222784331 570425874 /nfs/dbraw/zinc/42/58/74/570425874.db2.gz AXHGPIUJPOMDBH-LEWJYISDSA-N 0 0 394.519 4.621 40 10 GJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1 ZINC000222826541 570427922 /nfs/dbraw/zinc/42/79/22/570427922.db2.gz KLEXGXRMMZIADJ-FGZHOGPDSA-N 0 0 390.556 4.870 40 10 GJCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c1 ZINC000005235997 570432081 /nfs/dbraw/zinc/43/20/81/570432081.db2.gz HBPWSYDQMDBAHI-GZTJUZNOSA-N 0 0 379.510 4.596 40 10 GJCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S ZINC000005236000 570432190 /nfs/dbraw/zinc/43/21/90/570432190.db2.gz PNIPZQAARRZOPE-LVLBFHFTSA-N 0 0 379.510 4.536 40 10 GJCBRN CCOc1ccc(C=C2SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 ZINC000005372269 570435726 /nfs/dbraw/zinc/43/57/26/570435726.db2.gz OODWRLUMEWSGBX-PDGQHHTCSA-N 0 0 383.494 4.694 40 10 GJCBRN COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408760826 570470166 /nfs/dbraw/zinc/47/01/66/570470166.db2.gz AFHVUJGJDFHTRE-XQNSMLJCSA-N 0 0 398.462 4.847 40 10 GJCBRN C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260466505 570493993 /nfs/dbraw/zinc/49/39/93/570493993.db2.gz TYGJUSUVILYXLX-DLBZAZTESA-N 0 0 386.923 4.833 40 10 GJCBRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000030863339 570499533 /nfs/dbraw/zinc/49/95/33/570499533.db2.gz ZZTNEILWXKOVJQ-FQEVSTJZSA-N 0 0 380.532 4.686 40 10 GJCBRN CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000007621608 570510392 /nfs/dbraw/zinc/51/03/92/570510392.db2.gz OZTBGTFYTPPDMX-AQTBWJFISA-N 0 0 384.526 4.557 40 10 GJCBRN CCN(CCCNC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1 ZINC000225733761 570610602 /nfs/dbraw/zinc/61/06/02/570610602.db2.gz NYRQRHPEHBYMNF-UHFFFAOYSA-N 0 0 379.932 4.991 40 10 GJCBRN CCN(CCCNC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1 ZINC000225734656 570610613 /nfs/dbraw/zinc/61/06/13/570610613.db2.gz CSTPCQNQESTUMZ-UHFFFAOYSA-N 0 0 385.577 4.985 40 10 GJCBRN Cc1cc(CN(C)C(=O)c2ccc3[nH]c(Cl)nc3c2)c(C)n1-c1ccccc1 ZINC000225985804 570638139 /nfs/dbraw/zinc/63/81/39/570638139.db2.gz FFPPERDJXVCZMC-UHFFFAOYSA-N 0 0 392.890 4.896 40 10 GJCBRN O=C1OC2(CCCC2)OC(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000058865973 570648963 /nfs/dbraw/zinc/64/89/63/570648963.db2.gz KLUDCGLJWUMTIJ-UHFFFAOYSA-N 0 0 398.842 4.673 40 10 GJCBRN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000059139082 570650768 /nfs/dbraw/zinc/65/07/68/570650768.db2.gz JNBPJEGQBGRQMI-DXKLAFQQSA-N 0 0 398.418 4.728 40 10 GJCBRN CCOc1ccccc1/C=C1\C(=O)N(c2cccc(Cl)c2)C(C)=C1C(=O)OC ZINC000059566363 570657490 /nfs/dbraw/zinc/65/74/90/570657490.db2.gz ZOUKUCWHAODBBW-PDGQHHTCSA-N 0 0 397.858 4.616 40 10 GJCBRN COc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C ZINC000260800826 570708349 /nfs/dbraw/zinc/70/83/49/570708349.db2.gz YMNJBYKHUPHWOI-PKOBYXMFSA-N 0 0 380.532 4.660 40 10 GJCBRN CC(Nc1cccc(Cl)c1C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000101615663 570716432 /nfs/dbraw/zinc/71/64/32/570716432.db2.gz CWHZNXJLXZQUES-PDGQHHTCSA-N 0 0 384.823 4.665 40 10 GJCBRN O=Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000005234134 570731881 /nfs/dbraw/zinc/73/18/81/570731881.db2.gz WWOZGHBROPHQPO-OVCLIPMQSA-N 0 0 393.411 4.924 40 10 GJCBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000001179616 570790882 /nfs/dbraw/zinc/79/08/82/570790882.db2.gz CTIGPFJHJRYEMD-UNOMPAQXSA-N 0 0 399.537 4.804 40 10 GJCBRN COCCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014465680 570892641 /nfs/dbraw/zinc/89/26/41/570892641.db2.gz GQWLRWQSMNRAFV-KNKQGSTJSA-N 0 0 396.918 4.933 40 10 GJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C ZINC000222871516 222617377 /nfs/dbraw/zinc/61/73/77/222617377.db2.gz HTRUQBBZEUGSBY-FCHUYYIVSA-N 0 0 390.556 4.872 40 10 GJCBRN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1C1CCCCC1 ZINC000113830514 231022260 /nfs/dbraw/zinc/02/22/60/231022260.db2.gz ADACETLUONBSMI-NTEUORMPSA-N 0 0 382.894 4.782 40 10 GJCBRN Cc1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2Cl)cc1 ZINC000408530013 231051438 /nfs/dbraw/zinc/05/14/38/231051438.db2.gz KCCHTJCQVYVASZ-SXGWCWSVSA-N 0 0 375.902 4.716 40 10 GJCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1Br ZINC000408811608 231117724 /nfs/dbraw/zinc/11/77/24/231117724.db2.gz LRELCMWTMNOTOX-DHDCSXOGSA-N 0 0 391.290 4.523 40 10 GJCBRN Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(O)cc2)cc1 ZINC000408763649 231112633 /nfs/dbraw/zinc/11/26/33/231112633.db2.gz UEDWINAZJTTXDL-XQNSMLJCSA-N 0 0 397.478 4.601 40 10 GJCBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409016561 231147141 /nfs/dbraw/zinc/14/71/41/231147141.db2.gz DPHKLZFKTVEOAX-HYARGMPZSA-N 0 0 385.467 4.808 40 10 GJCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc(F)c1 ZINC000409340328 231193154 /nfs/dbraw/zinc/19/31/54/231193154.db2.gz VFTMDZPWDRWAFH-PDGQHHTCSA-N 0 0 384.501 4.832 40 10 GJCBRN CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c[nH]c21 ZINC000409126624 529548665 /nfs/dbraw/zinc/54/86/65/529548665.db2.gz LTGBQXKAPLMFRF-MFOYZWKCSA-N 0 0 379.510 4.527 40 10 GJCBRN CCc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409066962 529584664 /nfs/dbraw/zinc/58/46/64/529584664.db2.gz IJMPTIZUTDTGCA-UNOMPAQXSA-N 0 0 381.859 4.780 40 10 GJCBRN CN(C)c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000001417213 212242862 /nfs/dbraw/zinc/24/28/62/212242862.db2.gz RCBOKPOORZUGGT-LICLKQGHSA-N 0 0 390.867 4.782 40 10 GJCBRN Cc1cc(CO)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000034772818 212162678 /nfs/dbraw/zinc/16/26/78/212162678.db2.gz PVWIWEFTNQCCEI-UHFFFAOYSA-N 0 0 386.289 4.928 40 10 GJCBRN Cc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c(C)n1-c1cccc(C)c1 ZINC000103604831 212106607 /nfs/dbraw/zinc/10/66/07/212106607.db2.gz UVUUTJKHJZETKA-KUOUREISSA-N 0 0 376.485 4.570 40 10 GJCBRN CN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)SC1=S ZINC000006734381 209128486 /nfs/dbraw/zinc/12/84/86/209128486.db2.gz PVRDAUPRHYIHSR-SXGWCWSVSA-N 0 0 393.892 4.889 40 10 GJCBRN Nc1ccc(Sc2nc3ccccc3s2)c2c1C(=O)c1ccccc1C2=O ZINC000005234102 209122537 /nfs/dbraw/zinc/12/25/37/209122537.db2.gz LZBSRGGBVAHAED-UHFFFAOYSA-N 0 0 388.473 4.805 40 10 GJCBRN O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1Cc1ccccc1 ZINC000001168166 209116514 /nfs/dbraw/zinc/11/65/14/209116514.db2.gz ZINMHTPBJNZXPT-DHDCSXOGSA-N 0 0 390.873 4.650 40 10 GJCBRN Cc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 ZINC000026676031 206253125 /nfs/dbraw/zinc/25/31/25/206253125.db2.gz DVPGXONCWPUQBN-RGEXLXHISA-N 0 0 399.537 4.674 40 10 GJCBRN CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCc2ccccc21 ZINC000000924742 206334812 /nfs/dbraw/zinc/33/48/12/206334812.db2.gz OWYWAOLEKHVVJP-UHFFFAOYSA-N 0 0 377.513 4.642 40 10 GJCBRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000020450151 207193236 /nfs/dbraw/zinc/19/32/36/207193236.db2.gz WCHKYCACQCRYLR-HSZRJFAPSA-N 0 0 380.532 4.768 40 10 GJCBRN Cc1cc(NC(=S)NCCCN(C)c2ccccc2)ccc1Br ZINC000107039960 208436212 /nfs/dbraw/zinc/43/62/12/208436212.db2.gz HCKQGOUBLANXIY-UHFFFAOYSA-N 0 0 392.366 4.570 40 10 GJCBRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1 ZINC000222899114 208887616 /nfs/dbraw/zinc/88/76/16/208887616.db2.gz AXNYWNGVXLODJR-SFTDATJTSA-N 0 0 376.529 4.563 40 10 GJCBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)n1-c1ccccc1 ZINC000222943417 208888223 /nfs/dbraw/zinc/88/82/23/208888223.db2.gz YDLWQKLMLMVQDW-YADHBBJMSA-N 0 0 390.556 4.809 40 10 GJCBRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(Cl)cc1 ZINC000222740040 208882556 /nfs/dbraw/zinc/88/25/56/208882556.db2.gz RFDLMHGOMACYPO-VQTJNVASSA-N 0 0 396.947 4.745 40 10 GJCBRN Fc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225416817 208950147 /nfs/dbraw/zinc/95/01/47/208950147.db2.gz ZRRLFPWRRIMONV-UHFFFAOYSA-N 0 0 377.916 4.956 40 10 GJCBRN CN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)SC1=S ZINC000006178513 220922794 /nfs/dbraw/zinc/92/27/94/220922794.db2.gz PVRDAUPRHYIHSR-CXUHLZMHSA-N 0 0 393.892 4.889 40 10 GJCBRN CCCC1=NN2C(=NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)C2=N)S1 ZINC000013280929 221263896 /nfs/dbraw/zinc/26/38/96/221263896.db2.gz OJZRZKRFMDWCNF-GAGNZYIBSA-N 0 0 391.500 4.513 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408794053 533267454 /nfs/dbraw/zinc/26/74/54/533267454.db2.gz HPKHPXBKHXFZRR-STZFKDTASA-N 0 0 387.410 4.856 40 10 GJCBRN COc1cccc(CNC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 ZINC000112124734 533475165 /nfs/dbraw/zinc/47/51/65/533475165.db2.gz WSTHIIBMPPMEAX-NKFKGCMQSA-N 0 0 397.478 4.510 40 10 GJCBRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217894813 136203426 /nfs/dbraw/zinc/20/34/26/136203426.db2.gz NVJYKJTXVGPURF-OPGJMIRHSA-N 0 0 393.487 4.722 40 10 GJCBRN Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000218694084 136203772 /nfs/dbraw/zinc/20/37/72/136203772.db2.gz FRGHAPQZPQXCRT-XLIONFOSSA-N 0 0 380.532 4.796 40 10 GJCBRN C[C@H](NC(=O)CCCOc1ccccc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000218726568 136203806 /nfs/dbraw/zinc/20/38/06/136203806.db2.gz IASHJVBLCQZHBE-FQEVSTJZSA-N 0 0 380.532 4.959 40 10 GJCBRN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218701738 136203809 /nfs/dbraw/zinc/20/38/09/136203809.db2.gz FTRIVJBPWDFEJQ-SQNIBIBYSA-N 0 0 384.495 4.707 40 10 GJCBRN Cc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 ZINC000219289002 136204106 /nfs/dbraw/zinc/20/41/06/136204106.db2.gz HGTNFZVNRKAMFJ-VQTJNVASSA-N 0 0 380.532 4.876 40 10 GJCBRN COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219502342 136204296 /nfs/dbraw/zinc/20/42/96/136204296.db2.gz BGDBOYFXVSKWRW-CEXWTWQISA-N 0 0 396.531 4.576 40 10 GJCBRN Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c1 ZINC000408645967 533720992 /nfs/dbraw/zinc/72/09/92/533720992.db2.gz NANJWFCLCSIBRM-UHFFFAOYSA-N 0 0 376.456 4.506 40 10 GJCBRN COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408764288 533958330 /nfs/dbraw/zinc/95/83/30/533958330.db2.gz QZFGTSZGUQHIKX-CJLVFECKSA-N 0 0 396.446 4.616 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 ZINC000059417999 533994764 /nfs/dbraw/zinc/99/47/64/533994764.db2.gz IMBGKGWCXMAPSL-QVOHYOOSSA-N 0 0 398.465 4.565 40 10 GJCBRN COc1ccc(N2N=C(c3ccccc3)C(=C(C)NC3CCCCC3)C2=O)cc1 ZINC000017079517 534021276 /nfs/dbraw/zinc/02/12/76/534021276.db2.gz SAKZWHQBDPJBIH-XLNRJJMWSA-N 0 0 389.499 4.642 40 10 GJCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000409160863 534162557 /nfs/dbraw/zinc/16/25/57/534162557.db2.gz XNDCVYXZEJKOQZ-SOZUMNATSA-N 0 0 384.819 4.861 40 10 GJCBRN CSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 ZINC000409036352 534179016 /nfs/dbraw/zinc/17/90/16/534179016.db2.gz VTWKOPTVFCJBLS-YRNVUSSQSA-N 0 0 398.356 4.910 40 10 GJCBRN CC(=O)Nc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000027229894 527005256 /nfs/dbraw/zinc/00/52/56/527005256.db2.gz BLCNYZLQCIQLMM-ZDLGFXPLSA-N 0 0 393.493 4.532 40 10 GJCBRN CC(Nc1ccc(Br)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000112122360 527540655 /nfs/dbraw/zinc/54/06/55/527540655.db2.gz SDZCXBXIVIBTNO-BOPFTXTBSA-N 0 0 388.240 4.697 40 10 GJCBRN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)NCc1ccccc1Cl ZINC000103917868 528065829 /nfs/dbraw/zinc/06/58/29/528065829.db2.gz DIAQDSZHDOQVDH-QNGOZBTKSA-N 0 0 397.906 4.915 40 10 GJCBRN CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000409246417 528173779 /nfs/dbraw/zinc/17/37/79/528173779.db2.gz ICOPTWPGIHRBFY-CXUHLZMHSA-N 0 0 392.286 4.704 40 10 GJCBRN CCCCCNC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 ZINC000112123654 528182790 /nfs/dbraw/zinc/18/27/90/528182790.db2.gz SCYZURZZQGHLMT-PGMHBOJBSA-N 0 0 395.478 4.639 40 10 GJCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)c(OC)c1 ZINC000408742028 528293100 /nfs/dbraw/zinc/29/31/00/528293100.db2.gz MMJHXTXJYLALSX-QGOAFFKASA-N 0 0 379.456 4.531 40 10 GJCBRN CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000409060510 528293851 /nfs/dbraw/zinc/29/38/51/528293851.db2.gz WWGULSXPGNTUMS-RGEXLXHISA-N 0 0 382.485 4.782 40 10 GJCBRN CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O ZINC000409205669 528469612 /nfs/dbraw/zinc/46/96/12/528469612.db2.gz DUFAKPOSXZJLFE-MHWRWJLKSA-N 0 0 392.933 4.694 40 10 GJCBRN O=C(c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)N1CCCC1 ZINC000004575042 570385707 /nfs/dbraw/zinc/38/57/07/570385707.db2.gz JXOIIPFRFQUXMS-IPJJNNNSSA-N 0 0 389.455 4.657 40 10 GJCBRN Cc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222592568 570415848 /nfs/dbraw/zinc/41/58/48/570415848.db2.gz XYVUGQRFUALDNR-ZLGUVYLKSA-N 0 0 378.545 4.580 40 10 GJCBRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C ZINC000222783791 570425775 /nfs/dbraw/zinc/42/57/75/570425775.db2.gz YNLDXKXYPKFDTQ-LEWJYISDSA-N 0 0 394.519 4.621 40 10 GJCBRN COc1cccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c1OC ZINC000005371346 570435365 /nfs/dbraw/zinc/43/53/65/570435365.db2.gz LCLDKINKLBLBBU-BOPFTXTBSA-N 0 0 385.510 4.726 40 10 GJCBRN CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 ZINC000408761612 570470597 /nfs/dbraw/zinc/47/05/97/570470597.db2.gz HEJTUIBQKNPQAA-CJLVFECKSA-N 0 0 385.442 4.726 40 10 GJCBRN COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408761748 570471194 /nfs/dbraw/zinc/47/11/94/570471194.db2.gz BDWWQXNMQUSZPW-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN C[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(N2CCCCC2)cc1 ZINC000225008383 570543068 /nfs/dbraw/zinc/54/30/68/570543068.db2.gz MNTWWGMAMMDLSK-IBGZPJMESA-N 0 0 392.543 4.812 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408762447 570543350 /nfs/dbraw/zinc/54/33/50/570543350.db2.gz BFVHVQUBLZYRDX-CPNJWEJPSA-N 0 0 378.815 4.776 40 10 GJCBRN COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(F)cc2)cc1 ZINC000408755736 570545081 /nfs/dbraw/zinc/54/50/81/570545081.db2.gz PACQRIFFJNWVSU-KGENOOAVSA-N 0 0 390.389 4.808 40 10 GJCBRN O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2CCCC2)cc1 ZINC000225353901 570566867 /nfs/dbraw/zinc/56/68/67/570566867.db2.gz XXSLBHINMZFNQG-UHFFFAOYSA-N 0 0 377.315 4.843 40 10 GJCBRN CN(CCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 ZINC000225571207 570589263 /nfs/dbraw/zinc/58/92/63/570589263.db2.gz CPFIXYDRWMKYKI-UHFFFAOYSA-N 0 0 398.757 4.525 40 10 GJCBRN C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654836 570598663 /nfs/dbraw/zinc/59/86/63/570598663.db2.gz XITCSNHMOJEFIL-INIZCTEOSA-N 0 0 397.544 4.699 40 10 GJCBRN COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1Cl ZINC000225694725 570604531 /nfs/dbraw/zinc/60/45/31/570604531.db2.gz ABANBXCTXLCPFK-CQSZACIVSA-N 0 0 389.952 4.996 40 10 GJCBRN O=C1c2ccccc2C(=O)c2c(Nc3cccc(Br)c3)cccc21 ZINC000004600898 570631352 /nfs/dbraw/zinc/63/13/52/570631352.db2.gz SHCQPNBXDWIVTI-UHFFFAOYSA-N 0 0 378.225 4.968 40 10 GJCBRN COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000059566394 570657486 /nfs/dbraw/zinc/65/74/86/570657486.db2.gz WVDHBSUFZAWJOX-STZFKDTASA-N 0 0 391.467 4.696 40 10 GJCBRN CC(C)CN(CC(C)C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1[N+](=O)[O-] ZINC000059488538 570658638 /nfs/dbraw/zinc/65/86/38/570658638.db2.gz CHALQHFBGPAPOV-OAQYLSRUSA-N 0 0 396.491 4.567 40 10 GJCBRN Oc1c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000024303293 570701475 /nfs/dbraw/zinc/70/14/75/570701475.db2.gz DCTAYAHGXNQCJD-LJQANCHMSA-N 0 0 389.282 4.669 40 10 GJCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000006348313 570741215 /nfs/dbraw/zinc/74/12/15/570741215.db2.gz CMIZTUMBTKLHND-STZFKDTASA-N 0 0 391.467 4.808 40 10 GJCBRN CCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S ZINC000006938208 570750947 /nfs/dbraw/zinc/75/09/47/570750947.db2.gz NQAHGLDYVUVIDJ-DHZHZOJOSA-N 0 0 395.267 4.740 40 10 GJCBRN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc(C)c1Cl ZINC000013612930 570762871 /nfs/dbraw/zinc/76/28/71/570762871.db2.gz OZEIOVZFKCREMK-KRWDZBQOSA-N 0 0 386.923 4.641 40 10 GJCBRN CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000014414957 570891468 /nfs/dbraw/zinc/89/14/68/570891468.db2.gz IJALYADIIXWGPK-HKWRFOASSA-N 0 0 395.886 4.645 40 10 GJCBRN COc1ccc(NC(C)=C2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000017078292 570917271 /nfs/dbraw/zinc/91/72/71/570917271.db2.gz KEHDMPGIWQMPFL-XLNRJJMWSA-N 0 0 383.451 4.832 40 10 GJCBRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cc(C)ccc1C ZINC000222744250 222613099 /nfs/dbraw/zinc/61/30/99/222613099.db2.gz WOYCRHPAYNOLON-FGZHOGPDSA-N 0 0 390.556 4.708 40 10 GJCBRN