smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cccc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)c1 ZINC000180760281 837519077 /nfs/dbraw/zinc/51/90/77/837519077.db2.gz JDCGZUJYBFPGIU-UHFFFAOYSA-N 0 2 380.267 3.640 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2cccnc2)C1=O ZINC000255073119 837560026 /nfs/dbraw/zinc/56/00/26/837560026.db2.gz UFQAHZOPACBUAB-QAPCUYQASA-N 0 2 396.516 3.527 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)c2cccnc2)C1=O ZINC000255073119 837560038 /nfs/dbraw/zinc/56/00/38/837560038.db2.gz UFQAHZOPACBUAB-QAPCUYQASA-N 0 2 396.516 3.527 20 30 GHEDLN CCCOc1ccccc1NC(=O)CC1S/C(=N\Cc2ccccc2)NC1=O ZINC000007883791 835132735 /nfs/dbraw/zinc/13/27/35/835132735.db2.gz NZXALUPLVOTADA-SFHVURJKSA-N 0 2 397.500 3.592 20 30 GHEDLN CCCOc1ccccc1NC(=O)CC1S/C(=N\Cc2ccccc2)NC1=O ZINC000007883790 835132846 /nfs/dbraw/zinc/13/28/46/835132846.db2.gz NZXALUPLVOTADA-GOSISDBHSA-N 0 2 397.500 3.592 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccccc2C)C1=O ZINC000254944721 835341862 /nfs/dbraw/zinc/34/18/62/835341862.db2.gz UZSABHJIESIKIJ-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(Cc2ccccc2C)C1=O ZINC000254944721 835341866 /nfs/dbraw/zinc/34/18/66/835341866.db2.gz UZSABHJIESIKIJ-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccccc2F)C1=O ZINC000255658637 835501828 /nfs/dbraw/zinc/50/18/28/835501828.db2.gz BBPNZGVJWMNQOW-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2ccccc2F)C1=O ZINC000255658637 835501829 /nfs/dbraw/zinc/50/18/29/835501829.db2.gz BBPNZGVJWMNQOW-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN N#CC(C(=O)c1cnc(OCc2ccccc2)cn1)c1nc(C2CC2)cs1 ZINC000647379589 835530113 /nfs/dbraw/zinc/53/01/13/835530113.db2.gz XQEOFWAMTZEYRS-HNNXBMFYSA-N 0 2 376.441 3.880 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N(CC2(C3CC3)CC2)C1=O ZINC000255898341 837045224 /nfs/dbraw/zinc/04/52/24/837045224.db2.gz ZRRLUBRBJUTCGM-MRXNPFEDSA-N 0 2 385.533 3.561 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CC2(C3CC3)CC2)C1=O ZINC000255898341 837045235 /nfs/dbraw/zinc/04/52/35/837045235.db2.gz ZRRLUBRBJUTCGM-MRXNPFEDSA-N 0 2 385.533 3.561 20 30 GHEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000177755663 837134832 /nfs/dbraw/zinc/13/48/32/837134832.db2.gz ZNORDIVFFVPEAQ-SJORKVTESA-N 0 2 381.501 3.995 20 30 GHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000177755663 837134840 /nfs/dbraw/zinc/13/48/40/837134840.db2.gz ZNORDIVFFVPEAQ-SJORKVTESA-N 0 2 381.501 3.995 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cn(CC)nc2-c2ccccc2)n1 ZINC000892625211 837248309 /nfs/dbraw/zinc/24/83/09/837248309.db2.gz XBXZZLBKZXZBLL-CQSZACIVSA-N 0 2 394.456 3.693 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2ccccc2)C1=O ZINC000255912457 837285569 /nfs/dbraw/zinc/28/55/69/837285569.db2.gz HJMGIFYSENGMKR-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccccc2)C1=O ZINC000255912457 837285576 /nfs/dbraw/zinc/28/55/76/837285576.db2.gz HJMGIFYSENGMKR-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CCc1c(NS(=O)(=O)c2ccc(C#N)cc2)cnn1-c1cccc(Cl)c1 ZINC000189454325 838263828 /nfs/dbraw/zinc/26/38/28/838263828.db2.gz MQOODFGKRRXBIA-UHFFFAOYSA-N 0 2 386.864 3.761 20 30 GHEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000416962924 840311938 /nfs/dbraw/zinc/31/19/38/840311938.db2.gz UOGNLFRSXMZDRE-NSHDSACASA-N 0 2 377.413 3.755 20 30 GHEDLN C=C(C)Cn1c(-c2ncccn2)n[n-]c1=[NH+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000417488490 840910471 /nfs/dbraw/zinc/91/04/71/840910471.db2.gz CVEFUOJCMDUHRE-RHSMWYFYSA-N 0 2 398.898 3.575 20 30 GHEDLN CC[C@@H](C(=O)N1CCC(/N=C\c2cc([N+](=O)[O-])ccc2O)CC1)c1ccccc1 ZINC000255290238 841101228 /nfs/dbraw/zinc/10/12/28/841101228.db2.gz BKEMDHXORRAHHS-QKYYUXOMSA-N 0 2 395.459 3.904 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O ZINC000255356978 841974616 /nfs/dbraw/zinc/97/46/16/841974616.db2.gz UNMKSVCFCYEPRZ-INIZCTEOSA-N 0 2 387.892 3.608 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2ccccc2)C1=O ZINC000255356978 841974622 /nfs/dbraw/zinc/97/46/22/841974622.db2.gz UNMKSVCFCYEPRZ-INIZCTEOSA-N 0 2 387.892 3.608 20 30 GHEDLN CN(Cc1cccc(C#N)c1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541797311 843038835 /nfs/dbraw/zinc/03/88/35/843038835.db2.gz UYPPZXUABYLMIG-UHFFFAOYSA-N 0 2 383.864 3.816 20 30 GHEDLN COc1ccc(NC(=O)C(C#N)C(=O)c2occc2Br)cc1Cl ZINC000176095822 843308693 /nfs/dbraw/zinc/30/86/93/843308693.db2.gz WXLZQCFKESOYMR-SECBINFHSA-N 0 2 397.612 3.665 20 30 GHEDLN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(C(F)(F)F)c1 ZINC000105390745 843609840 /nfs/dbraw/zinc/60/98/40/843609840.db2.gz FXJBUYYDKJJARN-UHFFFAOYSA-N 0 2 385.367 3.560 20 30 GHEDLN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000119728668 846084252 /nfs/dbraw/zinc/08/42/52/846084252.db2.gz VNLRINMEOMTCAU-VOTSOKGWSA-N 0 2 392.849 3.627 20 30 GHEDLN N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439563682 861765207 /nfs/dbraw/zinc/76/52/07/861765207.db2.gz BXPZTIUFMOBPLJ-UHFFFAOYSA-N 0 2 381.385 3.570 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2cccc(F)c2)c1 ZINC000255514221 847638402 /nfs/dbraw/zinc/63/84/02/847638402.db2.gz MQGCUMISXQVHBG-GOSISDBHSA-N 0 2 399.491 3.656 20 30 GHEDLN CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cccc(F)c2)c1 ZINC000255514221 847638412 /nfs/dbraw/zinc/63/84/12/847638412.db2.gz MQGCUMISXQVHBG-GOSISDBHSA-N 0 2 399.491 3.656 20 30 GHEDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000421153000 847787148 /nfs/dbraw/zinc/78/71/48/847787148.db2.gz KRJGJKGWZKLAGS-MRXNPFEDSA-N 0 2 389.477 3.548 20 30 GHEDLN COc1ccc(-c2csc(C(C#N)C(=O)CCOC[C@H]3CCCO3)n2)cc1 ZINC000121859345 848184700 /nfs/dbraw/zinc/18/47/00/848184700.db2.gz XBXOSZJGESHEFY-IAGOWNOFSA-N 0 2 386.473 3.581 20 30 GHEDLN COc1ccc(-c2csc([C@H](C#N)C(=O)CCOC[C@H]3CCCO3)n2)cc1 ZINC000121859345 848184704 /nfs/dbraw/zinc/18/47/04/848184704.db2.gz XBXOSZJGESHEFY-IAGOWNOFSA-N 0 2 386.473 3.581 20 30 GHEDLN Cc1nc(NS(=O)(=O)CCc2ccc(Cl)cc2)sc1SCC#N ZINC000424199495 850286495 /nfs/dbraw/zinc/28/64/95/850286495.db2.gz CJMCCHZNIQZDPT-UHFFFAOYSA-N 0 2 387.939 3.705 20 30 GHEDLN N#C[C@@H](C(=O)c1cnc(-c2ccc(F)c(F)c2)s1)c1nnc2n1CCCCC2 ZINC000505417404 851066855 /nfs/dbraw/zinc/06/68/55/851066855.db2.gz YESXONUFZXEERL-LBPRGKRZSA-N 0 2 399.426 3.896 20 30 GHEDLN C=CCN(Cc1cccc(C#N)c1)C(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000438940441 853108290 /nfs/dbraw/zinc/10/82/90/853108290.db2.gz IDOKEPCWVDVLNP-UHFFFAOYSA-N 0 2 386.455 3.840 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000121210561 862469395 /nfs/dbraw/zinc/46/93/95/862469395.db2.gz LOOSNNRZIHXQNW-UHFFFAOYSA-N 0 2 388.499 3.503 20 30 GHEDLN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)[C@H](C#N)c1nnc2n1CCCCC2 ZINC000054726861 853508139 /nfs/dbraw/zinc/50/81/39/853508139.db2.gz KUHQZCWRMKEDOY-ZDUSSCGKSA-N 0 2 399.520 3.849 20 30 GHEDLN N#CCc1cccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000589585813 855022543 /nfs/dbraw/zinc/02/25/43/855022543.db2.gz LAVHRQYCHNUPMG-UHFFFAOYSA-N 0 2 383.376 3.580 20 30 GHEDLN N#CCc1cccc(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000589588816 855073313 /nfs/dbraw/zinc/07/33/13/855073313.db2.gz IYJHOYQCVBRLSD-UHFFFAOYSA-N 0 2 390.424 3.757 20 30 GHEDLN N#CCc1cccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)c1 ZINC000589591419 855074381 /nfs/dbraw/zinc/07/43/81/855074381.db2.gz RELCVAYWVURWDG-UHFFFAOYSA-N 0 2 384.848 3.664 20 30 GHEDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000165999278 855362398 /nfs/dbraw/zinc/36/23/98/855362398.db2.gz HHIOAZIMBFKPKU-UHFFFAOYSA-N 0 2 375.759 3.735 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCCc4cc(F)ccc43)cc2[nH]c1=S ZINC000194166267 855959781 /nfs/dbraw/zinc/95/97/81/855959781.db2.gz CSBWYNWIYJVHLF-UHFFFAOYSA-N 0 2 395.459 3.603 20 30 GHEDLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3S[C@H](C)CC#N)cc12 ZINC000108985255 856083051 /nfs/dbraw/zinc/08/30/51/856083051.db2.gz VPYJIPHBMVSPTB-LLVKDONJSA-N 0 2 388.474 3.726 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1F ZINC000427757713 856698339 /nfs/dbraw/zinc/69/83/39/856698339.db2.gz LJQIHPNTLMUVBA-UHFFFAOYSA-N 0 2 394.840 3.670 20 30 GHEDLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C#N)c(F)c3)sc2c1 ZINC000427785018 856734302 /nfs/dbraw/zinc/73/43/02/856734302.db2.gz VRJOGEIJUDEIPJ-UHFFFAOYSA-N 0 2 377.422 3.507 20 30 GHEDLN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000593278863 857476493 /nfs/dbraw/zinc/47/64/93/857476493.db2.gz DAHHCAYWUARILW-UHFFFAOYSA-N 0 2 379.532 3.534 20 30 GHEDLN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000521548965 858095897 /nfs/dbraw/zinc/09/58/97/858095897.db2.gz YDROMSAKDWIALO-LLVKDONJSA-N 0 2 384.848 3.558 20 30 GHEDLN C=CCCc1ccccc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000443419569 858658093 /nfs/dbraw/zinc/65/80/93/858658093.db2.gz QTXSVJIDPDAHMW-UHFFFAOYSA-N 0 2 376.869 3.611 20 30 GHEDLN N#CC1CCC(CNC(=O)N=c2ccc(-c3ccc(Cl)s3)n[nH]2)CC1 ZINC000597019853 859239604 /nfs/dbraw/zinc/23/96/04/859239604.db2.gz JUFANLPZHOGJME-UHFFFAOYSA-N 0 2 375.885 3.732 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(Cc2c(C)cccc2C)C1=O ZINC000764846224 859639823 /nfs/dbraw/zinc/63/98/23/859639823.db2.gz FNHCTRLPPKMDLG-IBGZPJMESA-N 0 2 395.528 3.880 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2c(C)cccc2C)C1=O ZINC000764846224 859639832 /nfs/dbraw/zinc/63/98/32/859639832.db2.gz FNHCTRLPPKMDLG-IBGZPJMESA-N 0 2 395.528 3.880 20 30 GHEDLN C#CCOc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1 ZINC000765080583 859780111 /nfs/dbraw/zinc/78/01/11/859780111.db2.gz VASXSIGKXMCPIF-UHFFFAOYSA-N 0 2 390.511 3.993 20 30 GHEDLN N#C[C@H](C(=O)c1csc(-c2ccc(F)cc2)n1)c1nnc2n1CCCCC2 ZINC000124998242 860552214 /nfs/dbraw/zinc/55/22/14/860552214.db2.gz WDDDIQMSHWNHTQ-CQSZACIVSA-N 0 2 381.436 3.757 20 30 GHEDLN N#CC(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nc2ccccc2s1 ZINC000730395192 861083569 /nfs/dbraw/zinc/08/35/69/861083569.db2.gz PLUAUMKCQBFPPR-DOMZBBRYSA-N 0 2 379.416 3.665 20 30 GHEDLN N#CC(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1nc2cc(F)ccc2s1 ZINC000730417689 861101171 /nfs/dbraw/zinc/10/11/71/861101171.db2.gz PMGKDHZXAVCUIL-CHWSQXEVSA-N 0 2 383.379 3.877 20 30 GHEDLN Cc1c(Cl)cccc1N=C1SC(CC(=O)NC2CC2)C(=O)N1C1CCC1 ZINC000730460218 861122044 /nfs/dbraw/zinc/12/20/44/861122044.db2.gz VGUBIDFECUVQDB-MRXNPFEDSA-N 0 2 391.924 3.801 20 30 GHEDLN Cc1c(Cl)cccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C1CCC1 ZINC000730460218 861122061 /nfs/dbraw/zinc/12/20/61/861122061.db2.gz VGUBIDFECUVQDB-MRXNPFEDSA-N 0 2 391.924 3.801 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2-c2ccccc2)N(C2CCC2)C1=O ZINC000730463097 861122595 /nfs/dbraw/zinc/12/25/95/861122595.db2.gz RZZAWTNQMZVFNA-IBGZPJMESA-N 0 2 393.512 3.974 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2-c2ccccc2)N(C2CCC2)C1=O ZINC000730463097 861122606 /nfs/dbraw/zinc/12/26/06/861122606.db2.gz RZZAWTNQMZVFNA-IBGZPJMESA-N 0 2 393.512 3.974 20 30 GHEDLN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)nnn1-c1ccccc1Cl ZINC000103636050 864065990 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Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2C2CCCC2)c1C ZINC000914545171 884119488 /nfs/dbraw/zinc/11/94/88/884119488.db2.gz DNDBLFPASFGGLJ-SFHVURJKSA-N 0 2 385.533 3.846 20 30 GHEDLN O=C(CC1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O)NC1CC1 ZINC000914546054 884120804 /nfs/dbraw/zinc/12/08/04/884120804.db2.gz BQDOLDLAJCMXIT-MRXNPFEDSA-N 0 2 391.924 3.883 20 30 GHEDLN O=C(C[C@H]1SC(=Nc2cccc(Cl)c2)N(C2CCCC2)C1=O)NC1CC1 ZINC000914546054 884120814 /nfs/dbraw/zinc/12/08/14/884120814.db2.gz BQDOLDLAJCMXIT-MRXNPFEDSA-N 0 2 391.924 3.883 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCSc2ccccc2)C1=O ZINC000914547012 884122890 /nfs/dbraw/zinc/12/28/90/884122890.db2.gz VLYFELQMSXBCTD-KRWDZBQOSA-N 0 2 399.541 3.547 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC(C)C)c1C ZINC000914547431 884126717 /nfs/dbraw/zinc/12/67/17/884126717.db2.gz XJVZLDSLHGVESV-SFHVURJKSA-N 0 2 387.549 3.950 20 30 GHEDLN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC(C)C)c1C ZINC000914547431 884126722 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CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2C2CCCC2)c1 ZINC000914552942 884168214 /nfs/dbraw/zinc/16/82/14/884168214.db2.gz NNDNOKZZRAMXSF-GOSISDBHSA-N 0 2 385.533 3.792 20 30 GHEDLN CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C2CCCC2)c1 ZINC000914552942 884168220 /nfs/dbraw/zinc/16/82/20/884168220.db2.gz NNDNOKZZRAMXSF-GOSISDBHSA-N 0 2 385.533 3.792 20 30 GHEDLN N#Cc1cc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)ccc1Cl ZINC000609219243 885654967 /nfs/dbraw/zinc/65/49/67/885654967.db2.gz VMLFWWTUWWJVAH-UHFFFAOYSA-N 0 2 399.859 3.986 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cc(C)cc2Cl)N(CC2CCC2)C1=O ZINC000915111533 885763279 /nfs/dbraw/zinc/76/32/79/885763279.db2.gz NBKGYZVIXQPVOT-OAHLLOKOSA-N 0 2 393.940 3.825 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N(CC2CCC2)C1=O ZINC000915111533 885763284 /nfs/dbraw/zinc/76/32/84/885763284.db2.gz NBKGYZVIXQPVOT-OAHLLOKOSA-N 0 2 393.940 3.825 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N(CCc2ccc(C)o2)C1=O ZINC000915117189 885805498 /nfs/dbraw/zinc/80/54/98/885805498.db2.gz 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CCc1ccccc1N=C1SC(CC(=O)NC)C(=O)N1[C@@H]1CCCC1(F)F ZINC000807932524 885869205 /nfs/dbraw/zinc/86/92/05/885869205.db2.gz BSZVXUFQFVXGQD-LSDHHAIUSA-N 0 2 395.475 3.504 20 30 GHEDLN CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1[C@@H]1CCCC1(F)F ZINC000807932524 885869213 /nfs/dbraw/zinc/86/92/13/885869213.db2.gz BSZVXUFQFVXGQD-LSDHHAIUSA-N 0 2 395.475 3.504 20 30 GHEDLN CC(C)(C)[C@@H]1CCC1N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000807975126 885930178 /nfs/dbraw/zinc/93/01/78/885930178.db2.gz HBGHKZSTIMUMEJ-CYBMUJFWSA-N 0 2 379.511 3.563 20 30 GHEDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000194986079 886008597 /nfs/dbraw/zinc/00/85/97/886008597.db2.gz HNPMFRCCQFAPBL-UHFFFAOYSA-N 0 2 392.799 3.510 20 30 GHEDLN CC(C)(C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc(F)cc(C#N)c1 ZINC000498878497 886010610 /nfs/dbraw/zinc/01/06/10/886010610.db2.gz AWWBRXWYSSZUAJ-UHFFFAOYSA-N 0 2 385.349 3.677 20 30 GHEDLN C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000057123553 886471055 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394.493 3.692 20 30 GHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)n1 ZINC000121869973 889188390 /nfs/dbraw/zinc/18/83/90/889188390.db2.gz DGKIJJFUJVJXKQ-SWLSCSKDSA-N 0 2 394.493 3.692 20 30 GHEDLN N#Cc1cncc(S(=O)(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 ZINC000811823308 890037921 /nfs/dbraw/zinc/03/79/21/890037921.db2.gz OKDGXIKQLXWQPZ-UHFFFAOYSA-N 0 2 398.441 3.678 20 30 GHEDLN CCCCCCCCc1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000811824100 890042263 /nfs/dbraw/zinc/04/22/63/890042263.db2.gz HSZYMGWEUPSWBH-UHFFFAOYSA-N 0 2 379.511 3.509 20 30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCCCF)cc1C ZINC000812220208 890450753 /nfs/dbraw/zinc/45/07/53/890450753.db2.gz CKNQTZCTEBKYFH-KRWDZBQOSA-N 0 2 391.512 3.653 20 30 GHEDLN Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCCF)cc1C ZINC000812220208 890450758 /nfs/dbraw/zinc/45/07/58/890450758.db2.gz CKNQTZCTEBKYFH-KRWDZBQOSA-N 0 2 391.512 3.653 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3CC)cc2[nH]c1=S ZINC000154284396 891232864 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C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C)[C@@H]3CCC)cc2[nH]c1=S ZINC000747990987 893400497 /nfs/dbraw/zinc/40/04/97/893400497.db2.gz RBIDVSFWFPIFDI-KDOFPFPSSA-N 0 2 385.533 3.912 20 30 GHEDLN COc1ccc(Br)cc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000567079851 896859167 /nfs/dbraw/zinc/85/91/67/896859167.db2.gz FHCJVYREYRYRHF-ZDUSSCGKSA-N 0 2 382.217 3.891 20 30 GHEDLN CC(C)c1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CC3)cc1 ZINC000819813075 896998343 /nfs/dbraw/zinc/99/83/43/896998343.db2.gz KJIIROSZPHMJGU-ROUUACIJSA-N 0 2 397.544 3.963 20 30 GHEDLN CC(C)c1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CC3)cc1 ZINC000819813075 896998363 /nfs/dbraw/zinc/99/83/63/896998363.db2.gz KJIIROSZPHMJGU-ROUUACIJSA-N 0 2 397.544 3.963 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N([C@@H]2C[C@H]2C2CCC2)C1=O ZINC000819827349 897011980 /nfs/dbraw/zinc/01/19/80/897011980.db2.gz TWTXNLVYAXJAGL-CGTJXYLNSA-N 0 2 385.533 3.560 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@@H]2C[C@H]2C2CCC2)C1=O ZINC000819827349 897011987 /nfs/dbraw/zinc/01/19/87/897011987.db2.gz TWTXNLVYAXJAGL-CGTJXYLNSA-N 0 2 385.533 3.560 20 30 GHEDLN CC(C)c1csc(C(C#N)C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000821626262 897992184 /nfs/dbraw/zinc/99/21/84/897992184.db2.gz JJGCSUFDIIXBPY-CYBMUJFWSA-N 0 2 398.456 3.682 20 30 GHEDLN CC(C)c1csc([C@H](C#N)C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)n1 ZINC000821626262 897992190 /nfs/dbraw/zinc/99/21/90/897992190.db2.gz JJGCSUFDIIXBPY-CYBMUJFWSA-N 0 2 398.456 3.682 20 30 GHEDLN CC(C)(C)OC(=O)N1CCCc2c(C(O)=C(C#N)c3ccncn3)cccc21 ZINC000778725224 898992219 /nfs/dbraw/zinc/99/22/19/898992219.db2.gz XPPKLKUTLZOIJY-MRXNPFEDSA-N 0 2 378.432 3.654 20 30 GHEDLN C#CCOc1ccccc1CNC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC001136810143 899369902 /nfs/dbraw/zinc/36/99/02/899369902.db2.gz RCUNHNPPLSJFKK-UHFFFAOYSA-N 0 2 389.455 3.643 20 30 GHEDLN Cn1c(=O)[nH]c(NCc2ccc(Oc3cccc4ccccc43)cc2)c(C#N)c1=O ZINC001186239337 914379246 /nfs/dbraw/zinc/37/92/46/914379246.db2.gz VMLVFMCEOIAWGH-UHFFFAOYSA-N 0 2 398.422 3.503 20 30 GHEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)c(Cl)c1 ZINC000573995329 900731210 /nfs/dbraw/zinc/73/12/10/900731210.db2.gz GTRQWUWGBUURPL-UHFFFAOYSA-N 0 2 380.853 3.808 20 30 GHEDLN C=C(Cc1ccccc1)C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001144395237 902027392 /nfs/dbraw/zinc/02/73/92/902027392.db2.gz QDVVZVNZHXDKHL-UHFFFAOYSA-N 0 2 383.403 3.905 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NCC3C[C@@H](C)C[C@H](C)C3)cc2[nH]c1=S ZINC001146633757 903576399 /nfs/dbraw/zinc/57/63/99/903576399.db2.gz CULXFMBQHFDDIX-KBPBESRZSA-N 0 2 385.533 3.673 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](CC)CC(F)(F)F)cc2[nH]c1=S ZINC000839846752 903811407 /nfs/dbraw/zinc/81/14/07/903811407.db2.gz YRVLGRRRPRKKRM-NSHDSACASA-N 0 2 399.438 3.580 20 30 GHEDLN Cc1nn(C)c2nc(C3CC3)cc(C(=O)C(C#N)c3cnc4ccccc4n3)c12 ZINC000190990245 906507623 /nfs/dbraw/zinc/50/76/23/906507623.db2.gz VGXFYZHULIHTQZ-HNNXBMFYSA-N 0 2 382.427 3.587 20 30 GHEDLN Cc1cn(C2CCOCC2)nc1C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000633898928 908524562 /nfs/dbraw/zinc/52/45/62/908524562.db2.gz BVXBCABSJJNVJG-CQSZACIVSA-N 0 2 399.401 3.778 20 30 GHEDLN Cc1cn(C2CCOCC2)nc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000633898928 908524565 /nfs/dbraw/zinc/52/45/65/908524565.db2.gz BVXBCABSJJNVJG-CQSZACIVSA-N 0 2 399.401 3.778 20 30 GHEDLN Cc1nc(-c2ccc(C(=O)C(C#N)c3nnc4n3CCCCC4)s2)cs1 ZINC000633900629 908525443 /nfs/dbraw/zinc/52/54/43/908525443.db2.gz RZFYHLWTHGRYPN-GFCCVEGCSA-N 0 2 383.502 3.988 20 30 GHEDLN Cc1nc(-c2ccc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)s2)cs1 ZINC000633900629 908525457 /nfs/dbraw/zinc/52/54/57/908525457.db2.gz RZFYHLWTHGRYPN-GFCCVEGCSA-N 0 2 383.502 3.988 20 30 GHEDLN C[C@H](Cc1ccccc1)n1cccc1C(O)=C(C#N)C(=O)NCc1ccccc1 ZINC000773763449 909178383 /nfs/dbraw/zinc/17/83/83/909178383.db2.gz MLZUZWRHAXSZDA-NQIIRXRSSA-N 0 2 385.467 3.931 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCC(C)(C)C3)cc2[nH]c1=S ZINC001299416391 912166067 /nfs/dbraw/zinc/16/60/67/912166067.db2.gz MTSHJRAKYSWGGS-CQSZACIVSA-N 0 2 385.533 3.817 20 30 GHEDLN COc1ccc2cc(S(=O)(=O)Nc3cc(F)c(C#N)cc3OC)ccc2c1 ZINC001191969063 918343005 /nfs/dbraw/zinc/34/30/05/918343005.db2.gz GLEAEHUAQXFYTL-UHFFFAOYSA-N 0 2 386.404 3.669 20 30 GHEDLN CN(C)c1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc(Cl)n1 ZINC000114619421 919403483 /nfs/dbraw/zinc/40/34/83/919403483.db2.gz XATZKQFIRDJITL-CYBMUJFWSA-N 0 2 383.864 3.810 20 30 GHEDLN N#Cc1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1Cl ZINC000410368396 925582691 /nfs/dbraw/zinc/58/26/91/925582691.db2.gz PRRLMGKUXZQNCM-UHFFFAOYSA-N 0 2 389.633 3.914 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)C3CCCCC3)cc2[nH]c1=S ZINC000725901593 926489453 /nfs/dbraw/zinc/48/94/53/926489453.db2.gz QGDACRURWQJACH-KRWDZBQOSA-N 0 2 385.533 3.960 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)[C@@H]4CCCC[C@@H]43)cc2[nH]c1=S ZINC000749541848 927179776 /nfs/dbraw/zinc/17/97/76/927179776.db2.gz DWOAIOIWKOJFDB-QOKNQOGYSA-N 0 2 397.544 3.912 20 30 GHEDLN O=C1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CN1c1cccc(C(F)(F)F)c1 ZINC000751890027 928456021 /nfs/dbraw/zinc/45/60/21/928456021.db2.gz IKONXLPOXCAPDW-IKDHMPEHSA-N 0 2 393.321 3.544 20 30 GHEDLN CC(C)c1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC(F)F)cc1 ZINC000751921250 928477203 /nfs/dbraw/zinc/47/72/03/928477203.db2.gz FQNZXYPLCCYAPM-OAHLLOKOSA-N 0 2 395.475 3.675 20 30 GHEDLN CC(C)c1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(F)F)cc1 ZINC000751921250 928477210 /nfs/dbraw/zinc/47/72/10/928477210.db2.gz FQNZXYPLCCYAPM-OAHLLOKOSA-N 0 2 395.475 3.675 20 30 GHEDLN CC(C)c1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC(F)F)c1 ZINC000751924413 928480688 /nfs/dbraw/zinc/48/06/88/928480688.db2.gz MMHKXNBAZSVWDS-OAHLLOKOSA-N 0 2 395.475 3.675 20 30 GHEDLN CC(C)c1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(F)F)c1 ZINC000751924413 928480700 /nfs/dbraw/zinc/48/07/00/928480700.db2.gz MMHKXNBAZSVWDS-OAHLLOKOSA-N 0 2 395.475 3.675 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC2(C)CC2)c1 ZINC000751926341 928481830 /nfs/dbraw/zinc/48/18/30/928481830.db2.gz UHASSCMCUFHDKS-KRWDZBQOSA-N 0 2 385.533 3.649 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC2(C)CC2)c1 ZINC000751926341 928481839 /nfs/dbraw/zinc/48/18/39/928481839.db2.gz UHASSCMCUFHDKS-KRWDZBQOSA-N 0 2 385.533 3.649 20 30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC2(C)CC2)cc1C ZINC000751925112 928482023 /nfs/dbraw/zinc/48/20/23/928482023.db2.gz QSVHGTXRGVKEFR-QGZVFWFLSA-N 0 2 385.533 3.704 20 30 GHEDLN Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC2(C)CC2)cc1C ZINC000751925112 928482033 /nfs/dbraw/zinc/48/20/33/928482033.db2.gz QSVHGTXRGVKEFR-QGZVFWFLSA-N 0 2 385.533 3.704 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)c(C)c2)N(CC2(C(C)C)CC2)C1=O ZINC000753359896 929316378 /nfs/dbraw/zinc/31/63/78/929316378.db2.gz QKHVZIUWEJBVIS-KRWDZBQOSA-N 0 2 387.549 3.807 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CC2(C(C)C)CC2)C1=O ZINC000753359896 929316382 /nfs/dbraw/zinc/31/63/82/929316382.db2.gz QKHVZIUWEJBVIS-KRWDZBQOSA-N 0 2 387.549 3.807 20 30 GHEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCCN2C(=O)c3ccccc3C2=O)n1 ZINC000753992150 929625738 /nfs/dbraw/zinc/62/57/38/929625738.db2.gz YQQPJCMYCQABTR-HNNXBMFYSA-N 0 2 381.457 3.519 20 30 GHEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000757767267 929793185 /nfs/dbraw/zinc/79/31/85/929793185.db2.gz UBCFOCSVAXYPQI-UHFFFAOYSA-N 0 2 376.334 3.588 20 30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CCCC3)cc1 ZINC000757894006 929843739 /nfs/dbraw/zinc/84/37/39/929843739.db2.gz GYSAYNYBXFLGTL-MSOLQXFVSA-N 0 2 397.544 3.928 20 30 GHEDLN Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CCCC3)cc1 ZINC000757894006 929843746 /nfs/dbraw/zinc/84/37/46/929843746.db2.gz GYSAYNYBXFLGTL-MSOLQXFVSA-N 0 2 397.544 3.928 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N([C@H]2CC23CCCC3)C1=O ZINC000757897269 929844515 /nfs/dbraw/zinc/84/45/15/929844515.db2.gz VONQDQDXZLRHED-GJZGRUSLSA-N 0 2 391.924 3.740 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@H]2CC23CCCC3)C1=O ZINC000757897269 929844522 /nfs/dbraw/zinc/84/45/22/929844522.db2.gz VONQDQDXZLRHED-GJZGRUSLSA-N 0 2 391.924 3.740 20 30 GHEDLN COc1ccc(Cl)cc1NC(=O)Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000758424183 930041560 /nfs/dbraw/zinc/04/15/60/930041560.db2.gz NXFCJAUGDGHGCC-UHFFFAOYSA-N 0 2 390.871 3.643 20 30 GHEDLN COc1cc(C(C)N=Nc2ncnc(Cl)c2C(C)C)cc([N+](=O)[O-])c1O ZINC000797404219 932272283 /nfs/dbraw/zinc/27/22/83/932272283.db2.gz BOAOVZXLIGIPNI-UHFFFAOYSA-N 0 2 379.804 3.712 20 30 GHEDLN Cc1cccc(C)c1N=C1SC(CC(=O)NC2CC2)C(=O)N1[C@@H]1C[C@H]1C1CC1 ZINC000797423870 932279152 /nfs/dbraw/zinc/27/91/52/932279152.db2.gz ZLWVTBSNKMJGRV-RCCFBDPRSA-N 0 2 397.544 3.702 20 30 GHEDLN Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1C[C@H]1C1CC1 ZINC000797423870 932279159 /nfs/dbraw/zinc/27/91/59/932279159.db2.gz ZLWVTBSNKMJGRV-RCCFBDPRSA-N 0 2 397.544 3.702 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(CC)c3cccc(OC)c3)cc2[nH]c1=S ZINC000797706048 932376044 /nfs/dbraw/zinc/37/60/44/932376044.db2.gz IZOOANXXKQHLMC-UHFFFAOYSA-N 0 2 395.484 3.547 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(COCC)cc3)cc2[nH]c1=S ZINC001116150916 933364714 /nfs/dbraw/zinc/36/47/14/933364714.db2.gz SUNACWLSWDFBRM-UHFFFAOYSA-N 0 2 395.484 3.660 20 30 GHEDLN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccnc4c3ncn4C)n2)cc1 ZINC000561972365 934596335 /nfs/dbraw/zinc/59/63/35/934596335.db2.gz DLUAROFLYWKWEC-OAHLLOKOSA-N 0 2 389.440 3.590 20 30 GHEDLN N#Cc1cc(Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)ccn1 ZINC000562227599 934770386 /nfs/dbraw/zinc/77/03/86/934770386.db2.gz CPWQDHVUPWJDGW-UHFFFAOYSA-N 0 2 376.328 3.612 20 30 GHEDLN C#C[C@H](NC(=O)C1=NN(c2ccccc2CC)CC1=O)c1ccc(Cl)cc1 ZINC001625821058 1014204654 /nfs/dbraw/zinc/20/46/54/1014204654.db2.gz FJBMBYPSYUKCLU-KRWDZBQOSA-N 0 2 379.847 3.898 20 30 GHEDLN O=c1nc2ncsc2c(O[C@@H](/C(=N\O)c2ccccc2)c2ccccc2)[nH]1 ZINC001227607707 1032483229 /nfs/dbraw/zinc/48/32/29/1032483229.db2.gz LFYFHUPNDZRYHH-JNCAFBRLSA-N 0 2 378.413 3.791 20 30 GHEDLN CCC1=C(Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(=O)[C@@H](C)O1 ZINC001227816841 1032624152 /nfs/dbraw/zinc/62/41/52/1032624152.db2.gz QFYOMXRJBWOHMJ-LLVKDONJSA-N 0 2 394.379 3.859 20 30 GHEDLN N#Cc1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1OCC(F)(F)F ZINC000158623970 1019996115 /nfs/dbraw/zinc/99/61/15/1019996115.db2.gz PGGTZMVFNPCEJG-UHFFFAOYSA-N 0 2 392.305 3.578 20 30 GHEDLN N#CC(C(=O)C1CN(C(=O)C2CCCCC2)C1)c1nc2cc(F)ccc2s1 ZINC000835144965 1021920143 /nfs/dbraw/zinc/92/01/43/1021920143.db2.gz KIXILBUYXGCXIS-OAHLLOKOSA-N 0 2 385.464 3.650 20 30 GHEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C(C)=Cc2ccc(OC)c(F)c2)n1 ZINC000755636062 1023320277 /nfs/dbraw/zinc/32/02/77/1023320277.db2.gz CFWQZIQFJYYPMW-SVTZGKHISA-N 0 2 388.420 3.747 20 30 GHEDLN Oc1c(Br)cc(C=NO[C@@H]2CCCCO2)cc1Br ZINC000755813089 1023389537 /nfs/dbraw/zinc/38/95/37/1023389537.db2.gz CMTWEALUAPUYEX-LLVKDONJSA-N 0 2 379.048 3.794 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3C[C@H](C(C)C)[C@@H]3C(C)C)cc2[nH]c1=S ZINC000836888627 1023443191 /nfs/dbraw/zinc/44/31/91/1023443191.db2.gz MXKHNKJCSZXTRS-AEFFLSMTSA-N 0 2 385.533 3.624 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@@H](C)C2CC2)c1C ZINC000839209718 1025726323 /nfs/dbraw/zinc/72/63/23/1025726323.db2.gz KGKURTHPIWQFLI-KSSFIOAISA-N 0 2 385.533 3.702 20 30 GHEDLN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)C2CC2)c1C ZINC000839209718 1025726343 /nfs/dbraw/zinc/72/63/43/1025726343.db2.gz KGKURTHPIWQFLI-KSSFIOAISA-N 0 2 385.533 3.702 20 30 GHEDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1c(C#N)cnc2cnc(Cl)cc21 ZINC001163109507 1026047768 /nfs/dbraw/zinc/04/77/68/1026047768.db2.gz CMCHZCXKOXVTMR-UHFFFAOYSA-N 0 2 376.807 3.520 20 30 GHEDLN N#Cc1ccc(I)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210397444 1027487803 /nfs/dbraw/zinc/48/78/03/1027487803.db2.gz AKCVKBZSDRQKJR-UHFFFAOYSA-N 0 2 381.129 3.520 20 30 GHEDLN C#CCCCS(=O)(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 ZINC000840948888 1027979830 /nfs/dbraw/zinc/97/98/30/1027979830.db2.gz ZCPBSAVJZDONBN-UHFFFAOYSA-N 0 2 388.436 3.615 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](C)Cc2ccc(OCC)cc2)n1 ZINC000842296950 1029190076 /nfs/dbraw/zinc/19/00/76/1029190076.db2.gz YQVMSENAQZHAOW-XJKSGUPXSA-N 0 2 386.473 3.774 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/nfs/dbraw/zinc/93/45/81/834934581.db2.gz JBMRAFAJTIBGDJ-UHFFFAOYSA-N 0 2 384.244 3.624 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C1=O ZINC000255620908 835296407 /nfs/dbraw/zinc/29/64/07/835296407.db2.gz BEOBJQZNAQFFGN-KRWDZBQOSA-N 0 2 385.489 3.671 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(Cc2ccco2)C1=O ZINC000255620908 835296414 /nfs/dbraw/zinc/29/64/14/835296414.db2.gz BEOBJQZNAQFFGN-KRWDZBQOSA-N 0 2 385.489 3.671 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(Cc2ccccc2C)C1=O ZINC000254975905 835471462 /nfs/dbraw/zinc/47/14/62/835471462.db2.gz UEQKBMOUTPGZDF-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2ccccc2C)C1=O ZINC000254975905 835471469 /nfs/dbraw/zinc/47/14/69/835471469.db2.gz UEQKBMOUTPGZDF-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N(CC2(C3CC3)CC2)C1=O ZINC000255124870 838136715 /nfs/dbraw/zinc/13/67/15/838136715.db2.gz STKSXYMRXHXIMS-KRWDZBQOSA-N 0 2 385.533 3.561 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CC2(C3CC3)CC2)C1=O ZINC000255124870 838136723 /nfs/dbraw/zinc/13/67/23/838136723.db2.gz STKSXYMRXHXIMS-KRWDZBQOSA-N 0 2 385.533 3.561 20 30 GHEDLN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)N=c1ncn(C2CCCCC2)[nH]1 ZINC000376883013 838808640 /nfs/dbraw/zinc/80/86/40/838808640.db2.gz DVSDXDURWLVFCV-OALUTQOASA-N 0 2 378.480 3.509 20 30 GHEDLN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1ncn(C2CCCCC2)[nH]1 ZINC000376883015 838809002 /nfs/dbraw/zinc/80/90/02/838809002.db2.gz DVSDXDURWLVFCV-RTBURBONSA-N 0 2 378.480 3.509 20 30 GHEDLN Cc1cc(C(C)(C)C)ccc1OCCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122904493 838812151 /nfs/dbraw/zinc/81/21/51/838812151.db2.gz BDVZOZCGGDHECR-KRWDZBQOSA-N 0 2 381.476 3.777 20 30 GHEDLN N#C[C@@H](C(=O)c1cnn2c1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000651606937 841113502 /nfs/dbraw/zinc/11/35/02/841113502.db2.gz LPCZMYTWELXKIU-JTQLQIEISA-N 0 2 376.363 3.948 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(Cc2ccc(C)c(F)c2)C1=O ZINC000255300294 841346942 /nfs/dbraw/zinc/34/69/42/841346942.db2.gz VNCXPUCBKVBMGG-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2ccc(C)c(F)c2)C1=O ZINC000255300294 841346953 /nfs/dbraw/zinc/34/69/53/841346953.db2.gz VNCXPUCBKVBMGG-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21 ZINC000429583244 843798641 /nfs/dbraw/zinc/79/86/41/843798641.db2.gz AMHURICKYWQVKP-GFCCVEGCSA-N 0 2 377.385 3.879 20 30 GHEDLN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500927223 844009784 /nfs/dbraw/zinc/00/97/84/844009784.db2.gz RWPOPKUICHGHLE-QGZVFWFLSA-N 0 2 379.395 3.525 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(CCC#N)CC(CC)CC)cc2[nH]c1=S ZINC000176641497 845472956 /nfs/dbraw/zinc/47/29/56/845472956.db2.gz ZYOUCJFULHSLQO-UHFFFAOYSA-N 0 2 398.532 3.663 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c(Cl)c1 ZINC000502815568 846498791 /nfs/dbraw/zinc/49/87/91/846498791.db2.gz VKBZOHFJIPXPMP-UHFFFAOYSA-N 0 2 393.255 3.852 20 30 GHEDLN CC(C)c1ccc(/N=C2/SC(CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1 ZINC000273041664 847236537 /nfs/dbraw/zinc/23/65/37/847236537.db2.gz PCJWWLMQURGTLD-QAYQYMSWSA-N 0 2 398.532 3.714 20 30 GHEDLN CC(C)c1ccc(/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCC#N)cc1 ZINC000273041664 847236546 /nfs/dbraw/zinc/23/65/46/847236546.db2.gz PCJWWLMQURGTLD-QAYQYMSWSA-N 0 2 398.532 3.714 20 30 GHEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000176600442 849454616 /nfs/dbraw/zinc/45/46/16/849454616.db2.gz IKZYBIOEASQFJO-UHFFFAOYSA-N 0 2 376.507 3.642 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2[nH]c1=S ZINC000054771750 853518635 /nfs/dbraw/zinc/51/86/35/853518635.db2.gz SQPCYDCVGJDCSC-IBGZPJMESA-N 0 2 391.496 3.849 20 30 GHEDLN Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NCCc1ccc(Br)s1)CCC2 ZINC000328662414 854494287 /nfs/dbraw/zinc/49/42/87/854494287.db2.gz XIWCVQCSSISBLH-LBPRGKRZSA-N 0 2 397.342 3.639 20 30 GHEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000125663337 854743356 /nfs/dbraw/zinc/74/33/56/854743356.db2.gz JEDAZZPOCQICCR-UHFFFAOYSA-N 0 2 399.497 3.527 20 30 GHEDLN N#Cc1cccc(COC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c1 ZINC000733011423 862664140 /nfs/dbraw/zinc/66/41/40/862664140.db2.gz FGJWKKIEAYLHSI-UHFFFAOYSA-N 0 2 383.201 3.519 20 30 GHEDLN N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3c(F)cccc3F)s2)cc1 ZINC000120920085 855631309 /nfs/dbraw/zinc/63/13/09/855631309.db2.gz ZOUKDLWKNVOJNS-UHFFFAOYSA-N 0 2 391.424 3.685 20 30 GHEDLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3SC[C@H](C)C#N)cc12 ZINC000108251696 855780994 /nfs/dbraw/zinc/78/09/94/855780994.db2.gz BLGDOIKXIPAGEU-LLVKDONJSA-N 0 2 388.474 3.584 20 30 GHEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000057125777 855793682 /nfs/dbraw/zinc/79/36/82/855793682.db2.gz UQQZLVCETHNIDC-UHFFFAOYSA-N 0 2 399.241 3.659 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c(Cl)c1 ZINC000508103490 856923641 /nfs/dbraw/zinc/92/36/41/856923641.db2.gz PWUDXIPGRJXKTH-UHFFFAOYSA-N 0 2 376.850 3.531 20 30 GHEDLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000508199048 857058770 /nfs/dbraw/zinc/05/87/70/857058770.db2.gz HIBCIHKJMBFKGJ-ZDUSSCGKSA-N 0 2 382.445 3.923 20 30 GHEDLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593209993 857400863 /nfs/dbraw/zinc/40/08/63/857400863.db2.gz CPQKFFBWWRPYDJ-UHFFFAOYSA-N 0 2 399.394 3.711 20 30 GHEDLN N#Cc1cccc(OCCCCC(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000521091056 857605897 /nfs/dbraw/zinc/60/58/97/857605897.db2.gz DHJGBWNCLKYRMI-UHFFFAOYSA-N 0 2 378.457 3.686 20 30 GHEDLN O=C(c1cc(F)cc(Cl)c1O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000676164981 857765356 /nfs/dbraw/zinc/76/53/56/857765356.db2.gz PHVHOJMWFKKXOY-HTQZYQBOSA-N 0 2 379.659 3.998 20 30 GHEDLN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C4CC4)n(C)n3)n2)cc1 ZINC000442877959 858198536 /nfs/dbraw/zinc/19/85/36/858198536.db2.gz RWRYXAYZCHOWIF-HNNXBMFYSA-N 0 2 378.457 3.920 20 30 GHEDLN C[C@@H](C#N)CN(C(=O)N=c1nc(-c2ccccc2C(F)(F)F)[nH]s1)C1CC1 ZINC000597002404 859219182 /nfs/dbraw/zinc/21/91/82/859219182.db2.gz CLRGJDGCZAHECT-JTQLQIEISA-N 0 2 395.410 3.802 20 30 GHEDLN CC1(C#N)CCN(C(=O)N=c2nc(-c3ccccc3C(F)(F)F)[nH]s2)CC1 ZINC000597003823 859220613 /nfs/dbraw/zinc/22/06/13/859220613.db2.gz SKUZRRPAIVSFIE-UHFFFAOYSA-N 0 2 395.410 3.803 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1 ZINC000602093636 859769602 /nfs/dbraw/zinc/76/96/02/859769602.db2.gz MKLUESNNKZAXCU-UHFFFAOYSA-N 0 2 391.424 3.685 20 30 GHEDLN C=C(C)[C@H](CC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1)OCC ZINC000484594642 860153677 /nfs/dbraw/zinc/15/36/77/860153677.db2.gz MTJSGCPLNVXWHH-LBPRGKRZSA-N 0 2 396.310 3.699 20 30 GHEDLN N#CC(C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nc2cc(F)ccc2s1 ZINC000730417057 861099745 /nfs/dbraw/zinc/09/97/45/861099745.db2.gz KDRNOPDCUOJBHX-WCQYABFASA-N 0 2 397.406 3.804 20 30 GHEDLN CCc1c(NS(=O)(=O)c2cc(C#N)ccc2C)cnn1-c1ccccc1C ZINC000480205021 864261594 /nfs/dbraw/zinc/26/15/94/864261594.db2.gz ZDUWMPFTOATFQF-UHFFFAOYSA-N 0 2 380.473 3.724 20 30 GHEDLN COc1ccc(-c2csc([C@H](C#N)C(=O)CCNC(=O)CC(C)C)n2)cc1 ZINC000174102330 865400439 /nfs/dbraw/zinc/40/04/39/865400439.db2.gz HAVQPDDIRIBNCP-MRXNPFEDSA-N 0 2 385.489 3.547 20 30 GHEDLN CSc1nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2s1 ZINC000739667864 865776126 /nfs/dbraw/zinc/77/61/26/865776126.db2.gz WFKFNAOOVDANOX-UHFFFAOYSA-N 0 2 379.463 3.830 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cc(CCCC)[nH]n3)cc2[nH]c1=S ZINC000064078591 865902433 /nfs/dbraw/zinc/90/24/33/865902433.db2.gz ZCDWOIBLDGPOQD-UHFFFAOYSA-N 0 2 383.477 3.563 20 30 GHEDLN N#CC(C(=O)c1ccc(N2CCCC2)nn1)c1nc2cc(Cl)ccc2s1 ZINC000121454079 866480285 /nfs/dbraw/zinc/48/02/85/866480285.db2.gz VJDALAFKUIRMFV-GFCCVEGCSA-N 0 2 383.864 3.830 20 30 GHEDLN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000741842476 866843841 /nfs/dbraw/zinc/84/38/41/866843841.db2.gz FVGXSMPGQFESPV-WKARSFIWSA-N 0 2 377.441 3.803 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(Cc2c(C)cccc2F)C1=O ZINC000742214912 867140885 /nfs/dbraw/zinc/14/08/85/867140885.db2.gz NGUMTKGIMIPVCQ-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2c(C)cccc2F)C1=O ZINC000742214912 867140893 /nfs/dbraw/zinc/14/08/93/867140893.db2.gz NGUMTKGIMIPVCQ-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN Cc1ccc(F)c(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@@H](C)C2CC2)c1 ZINC000743514623 868241574 /nfs/dbraw/zinc/24/15/74/868241574.db2.gz QFJLIZSDGMCNKU-YVEFUNNKSA-N 0 2 389.496 3.533 20 30 GHEDLN Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)C2CC2)c1 ZINC000743514623 868241588 /nfs/dbraw/zinc/24/15/88/868241588.db2.gz QFJLIZSDGMCNKU-YVEFUNNKSA-N 0 2 389.496 3.533 20 30 GHEDLN Cc1cccc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)c1C#N ZINC000440835310 868867613 /nfs/dbraw/zinc/86/76/13/868867613.db2.gz XEQAIRRJPWHTOJ-UHFFFAOYSA-N 0 2 384.486 3.552 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2c(-c3cccs3)nc3ccccn32)cc1 ZINC000446712296 870218727 /nfs/dbraw/zinc/21/87/27/870218727.db2.gz QZQWLNOFCXPDMD-UHFFFAOYSA-N 0 2 380.454 3.735 20 30 GHEDLN 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387.166 3.632 20 30 GHEDLN Cc1cccc(Oc2ccc(NS(=O)(=O)c3cncc(C#N)c3)cn2)c1C ZINC000580682732 837393750 /nfs/dbraw/zinc/39/37/50/837393750.db2.gz BUQQBTFZUMGCQO-UHFFFAOYSA-N 0 2 380.429 3.558 20 30 GHEDLN Cc1nn(C)c(S(=O)(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c1C(F)F ZINC000414378924 837512884 /nfs/dbraw/zinc/51/28/84/837512884.db2.gz CAYXRMORJXYHOC-UHFFFAOYSA-N 0 2 398.435 3.516 20 30 GHEDLN COc1ccc(-c2csc([C@H](C#N)C(=O)CCn3c(C)csc3=O)n2)cc1 ZINC000066543736 837736785 /nfs/dbraw/zinc/73/67/85/837736785.db2.gz MWCBYNZCDZHUBS-OAHLLOKOSA-N 0 2 399.497 3.617 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2cccnc2)C1=O ZINC000255578866 835414159 /nfs/dbraw/zinc/41/41/59/835414159.db2.gz FRGBHUWUGVPYKO-DOTOQJQBSA-N 0 2 396.516 3.527 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@@H](C)c2cccnc2)C1=O ZINC000255578866 835414161 /nfs/dbraw/zinc/41/41/61/835414161.db2.gz FRGBHUWUGVPYKO-DOTOQJQBSA-N 0 2 396.516 3.527 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[nH]c1=S ZINC000024236046 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/nfs/dbraw/zinc/12/54/45/884125445.db2.gz LPHMSSAGCYXMNY-GOSISDBHSA-N 0 2 387.549 3.895 20 30 GHEDLN CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC(C)C)cc1 ZINC000914547098 884125458 /nfs/dbraw/zinc/12/54/58/884125458.db2.gz LPHMSSAGCYXMNY-GOSISDBHSA-N 0 2 387.549 3.895 20 30 GHEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2ccccc2C)cc1 ZINC000914549873 884133246 /nfs/dbraw/zinc/13/32/46/884133246.db2.gz JZNJCUFIPCTMAX-IBGZPJMESA-N 0 2 395.528 3.825 20 30 GHEDLN CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2ccccc2C)cc1 ZINC000914549873 884133248 /nfs/dbraw/zinc/13/32/48/884133248.db2.gz JZNJCUFIPCTMAX-IBGZPJMESA-N 0 2 395.528 3.825 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCCC(C)C)C1=O ZINC000914544667 884146560 /nfs/dbraw/zinc/14/65/60/884146560.db2.gz ZDDKWDYBLZCKNG-HNNXBMFYSA-N 0 2 399.919 3.983 20 30 GHEDLN CC(C)c1c(NS(=O)(=O)c2ccccc2CC#N)cnn1-c1ccccc1 ZINC000475814162 884152646 /nfs/dbraw/zinc/15/26/46/884152646.db2.gz LEFBLLBYMJNKSY-UHFFFAOYSA-N 0 2 380.473 3.863 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccco2)c1 ZINC000914552933 884167935 /nfs/dbraw/zinc/16/79/35/884167935.db2.gz NLHBROBQCYPOOK-SFHVURJKSA-N 0 2 397.500 3.642 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccco2)c1 ZINC000914552933 884167942 /nfs/dbraw/zinc/16/79/42/884167942.db2.gz NLHBROBQCYPOOK-SFHVURJKSA-N 0 2 397.500 3.642 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691746 884523138 /nfs/dbraw/zinc/52/31/38/884523138.db2.gz RIFNNMKDERBZEH-YJBOKZPZSA-N 0 2 399.516 3.595 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691746 884523153 /nfs/dbraw/zinc/52/31/53/884523153.db2.gz RIFNNMKDERBZEH-YJBOKZPZSA-N 0 2 399.516 3.595 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N([C@H](C)Cc2ccco2)C1=O ZINC000914691756 884523359 /nfs/dbraw/zinc/52/33/59/884523359.db2.gz RQASKJTUCIXIKP-QAPCUYQASA-N 0 2 399.516 3.595 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@H](C)Cc2ccco2)C1=O ZINC000914691756 884523366 /nfs/dbraw/zinc/52/33/66/884523366.db2.gz RQASKJTUCIXIKP-QAPCUYQASA-N 0 2 399.516 3.595 20 30 GHEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4[nH]c(=O)oc43)n2)cc1 ZINC000153346201 884704130 /nfs/dbraw/zinc/70/41/30/884704130.db2.gz FXWWHAOBMCYNRG-AWEZNQCLSA-N 0 2 391.408 3.743 20 30 GHEDLN CCS(=O)(=O)c1c(Cl)cccc1/C=C1\Cc2c(ccc(O)c2F)C1=O ZINC000806575324 884829778 /nfs/dbraw/zinc/82/97/78/884829778.db2.gz XPBFYOMVSVIZKE-DHZHZOJOSA-N 0 2 380.824 3.801 20 30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC2CCC2)cc1F ZINC000915111545 885763602 /nfs/dbraw/zinc/76/36/02/885763602.db2.gz NBMRNACRVLFPHR-KRWDZBQOSA-N 0 2 389.496 3.534 20 30 GHEDLN Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC2CCC2)cc1F ZINC000915111545 885763615 /nfs/dbraw/zinc/76/36/15/885763615.db2.gz NBMRNACRVLFPHR-KRWDZBQOSA-N 0 2 389.496 3.534 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC2CCC2)c1C ZINC000915116999 885805387 /nfs/dbraw/zinc/80/53/87/885805387.db2.gz UXFKVLYSYVDFGQ-SFHVURJKSA-N 0 2 385.533 3.704 20 30 GHEDLN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC2CCC2)c1C ZINC000915116999 885805397 /nfs/dbraw/zinc/80/53/97/885805397.db2.gz UXFKVLYSYVDFGQ-SFHVURJKSA-N 0 2 385.533 3.704 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807928825 885863944 /nfs/dbraw/zinc/86/39/44/885863944.db2.gz IPPBFTQFZJVVLC-CABCVRRESA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807928825 885863955 /nfs/dbraw/zinc/86/39/55/885863955.db2.gz IPPBFTQFZJVVLC-CABCVRRESA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N(CCC2(F)CCC2)C1=O ZINC000807928990 885865409 /nfs/dbraw/zinc/86/54/09/885865409.db2.gz QUXSQRVYZWEMTE-HNNXBMFYSA-N 0 2 391.512 3.653 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCC2(F)CCC2)C1=O ZINC000807928990 885865421 /nfs/dbraw/zinc/86/54/21/885865421.db2.gz QUXSQRVYZWEMTE-HNNXBMFYSA-N 0 2 391.512 3.653 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2C)N([C@@H]2CCC2(C)C)C1=O ZINC000807929355 885865546 /nfs/dbraw/zinc/86/55/46/885865546.db2.gz JFCMEYKLBFYGIC-LSDHHAIUSA-N 0 2 393.940 3.905 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N([C@@H]2CCC2(C)C)C1=O ZINC000807929355 885865556 /nfs/dbraw/zinc/86/55/56/885865556.db2.gz JFCMEYKLBFYGIC-LSDHHAIUSA-N 0 2 393.940 3.905 20 30 GHEDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CCc3cccc(C#N)c3)=N2)c1 ZINC000863440151 887113551 /nfs/dbraw/zinc/11/35/51/887113551.db2.gz MDENZSXRYWNUQA-UHFFFAOYSA-N 0 2 388.471 3.888 20 30 GHEDLN CCC(CC)/N=C1/NC(=O)C(CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 ZINC000864344539 887718868 /nfs/dbraw/zinc/71/88/68/887718868.db2.gz APVKAFRJFNWJSD-OAHLLOKOSA-N 0 2 397.928 3.762 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N([C@H]2CCC(F)(F)C2)C1=O ZINC000763213866 888311422 /nfs/dbraw/zinc/31/14/22/888311422.db2.gz UPGKPKJXSWMSQO-LSDHHAIUSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@H]2CCC(F)(F)C2)C1=O ZINC000763213866 888311431 /nfs/dbraw/zinc/31/14/31/888311431.db2.gz UPGKPKJXSWMSQO-LSDHHAIUSA-N 0 2 395.475 3.559 20 30 GHEDLN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 ZINC000810521024 888591215 /nfs/dbraw/zinc/59/12/15/888591215.db2.gz KKIWWWPPGWVGPD-DOMZBBRYSA-N 0 2 389.452 3.678 20 30 GHEDLN O=[N+]([O-])c1ccc(O)c(/C=N\C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000915980403 888596131 /nfs/dbraw/zinc/59/61/31/888596131.db2.gz QTZGLRIAPXDKOY-YVNNLAQVSA-N 0 2 394.353 3.802 20 30 GHEDLN N#CCCCN1CC[C@@]2(CCCN2Cc2cc(Cl)c(O)c(Cl)c2)C1=O ZINC001275321358 913335058 /nfs/dbraw/zinc/33/50/58/913335058.db2.gz ANEWKNNJVJFIMT-SFHVURJKSA-N 0 2 382.291 3.570 20 30 GHEDLN N#CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000122348165 889658884 /nfs/dbraw/zinc/65/88/84/889658884.db2.gz BQWNCAARIWOXSV-UHFFFAOYSA-N 0 2 375.208 3.836 20 30 GHEDLN COc1ccc(-c2csc(C(C#N)C(=O)Cc3cnn4c3CCCC4)n2)cc1 ZINC000870172423 890240782 /nfs/dbraw/zinc/24/07/82/890240782.db2.gz QNRYWSQZZIQTEB-KRWDZBQOSA-N 0 2 392.484 3.770 20 30 GHEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3cnn4c3CCCC4)n2)cc1 ZINC000870172423 890240801 /nfs/dbraw/zinc/24/08/01/890240801.db2.gz QNRYWSQZZIQTEB-KRWDZBQOSA-N 0 2 392.484 3.770 20 30 GHEDLN N#C[C@H](C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1ccc2ccccc2n1 ZINC000916849675 890267103 /nfs/dbraw/zinc/26/71/03/890267103.db2.gz YZCPDXLDHSVVPO-SFHVURJKSA-N 0 2 382.423 3.590 20 30 GHEDLN Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883042 890326814 /nfs/dbraw/zinc/32/68/14/890326814.db2.gz FWSGJIDDMJSJQS-MRXNPFEDSA-N 0 2 378.819 4.000 20 30 GHEDLN Cc1[nH]c(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883042 890326825 /nfs/dbraw/zinc/32/68/25/890326825.db2.gz FWSGJIDDMJSJQS-MRXNPFEDSA-N 0 2 378.819 4.000 20 30 GHEDLN N#CC(C(=O)Cc1cnn(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 ZINC000917046963 890769802 /nfs/dbraw/zinc/76/98/02/890769802.db2.gz ZDVJQNHILKJETJ-OAHLLOKOSA-N 0 2 393.859 3.949 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2CC[C@@H]2C)c1C ZINC000795171705 890794982 /nfs/dbraw/zinc/79/49/82/890794982.db2.gz HZBFZQAEFDGXLL-DOPJRALCSA-N 0 2 385.533 3.702 20 30 GHEDLN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CC[C@@H]2C)c1C ZINC000795171705 890795006 /nfs/dbraw/zinc/79/50/06/890795006.db2.gz HZBFZQAEFDGXLL-DOPJRALCSA-N 0 2 385.533 3.702 20 30 GHEDLN N#CCc1ccc(OCc2cccc(NC(=O)c3ccc4[nH]nnc4c3)c2)cc1 ZINC000053997403 891197727 /nfs/dbraw/zinc/19/77/27/891197727.db2.gz QRFQOHHGIRBHRG-UHFFFAOYSA-N 0 2 383.411 3.855 20 30 GHEDLN Cc1csc(C(C#N)C(=O)[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000873495758 891654414 /nfs/dbraw/zinc/65/44/14/891654414.db2.gz YDMUFFSBNWFDLE-KSMMKXTCSA-N 0 2 375.494 3.808 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(Cc2occc2C)C1=O ZINC000813561962 891736261 /nfs/dbraw/zinc/73/62/61/891736261.db2.gz BBGRAGPECJDHKP-OAHLLOKOSA-N 0 2 391.880 3.509 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(Cc2occc2C)C1=O ZINC000813561962 891736269 /nfs/dbraw/zinc/73/62/69/891736269.db2.gz BBGRAGPECJDHKP-OAHLLOKOSA-N 0 2 391.880 3.509 20 30 GHEDLN COc1ccc(-c2nc(S[C@H](C)c3cnc(C)cn3)[nH]c(=O)c2C#N)cc1 ZINC000813570224 891787882 /nfs/dbraw/zinc/78/78/82/891787882.db2.gz UDDSYTYQOROBQZ-GFCCVEGCSA-N 0 2 379.445 3.681 20 30 GHEDLN N#C[C@H](C(=O)C1(Cc2ccc(F)cc2)CCOCC1)c1cnc2ccccc2n1 ZINC000816045101 894393683 /nfs/dbraw/zinc/39/36/83/894393683.db2.gz BEZKFKCIWVVXNE-SFHVURJKSA-N 0 2 389.430 3.985 20 30 GHEDLN Cn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C2CCCCC2)n1 ZINC000565403775 895598207 /nfs/dbraw/zinc/59/82/07/895598207.db2.gz UADCKWONAJIVER-UHFFFAOYSA-N 0 2 378.885 3.794 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CC23CC3)C1=O ZINC000819807946 896997104 /nfs/dbraw/zinc/99/71/04/896997104.db2.gz XKBVSEVZHMOFNX-STQMWFEESA-N 0 2 398.315 3.614 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)c(Cl)c2)N([C@H]2CC23CC3)C1=O ZINC000819807946 896997113 /nfs/dbraw/zinc/99/71/13/896997113.db2.gz XKBVSEVZHMOFNX-STQMWFEESA-N 0 2 398.315 3.614 20 30 GHEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2coc(-c3ccccc3)n2)C1=O ZINC000130176528 897004595 /nfs/dbraw/zinc/00/45/95/897004595.db2.gz IDEMUGCXURRIKY-OAQYLSRUSA-N 0 2 398.463 3.657 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H]2CC23CC3)C1=O ZINC000819841681 897015372 /nfs/dbraw/zinc/01/53/72/897015372.db2.gz CXPWRCIMHKXBML-QWHCGFSZSA-N 0 2 398.315 3.614 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@@H]2CC23CC3)C1=O ZINC000819841681 897015380 /nfs/dbraw/zinc/01/53/80/897015380.db2.gz CXPWRCIMHKXBML-QWHCGFSZSA-N 0 2 398.315 3.614 20 30 GHEDLN CCOc1ccc([C@H](C)NC(=O)CCC/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000132446726 897791192 /nfs/dbraw/zinc/79/11/92/897791192.db2.gz UFVGSJHARIOBKD-WXUSHSQQSA-N 0 2 399.447 3.776 20 30 GHEDLN N#C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1Cl ZINC000568716607 898056900 /nfs/dbraw/zinc/05/69/00/898056900.db2.gz MIWXWTSJFOAUFY-HNNXBMFYSA-N 0 2 387.226 3.879 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Oc3ccccc3)cn2)n1 ZINC000569670675 898871286 /nfs/dbraw/zinc/87/12/86/898871286.db2.gz HPMZNBCIYVTAEV-OAHLLOKOSA-N 0 2 393.424 3.997 20 30 GHEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Oc3ccccc3)cn2)n1 ZINC000569670675 898871294 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CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2C[C@H]2c2ccccc2C)C1=O ZINC000845249245 901955870 /nfs/dbraw/zinc/95/58/70/901955870.db2.gz NRVMNTNXBGRUJS-BBWFWOEESA-N 0 2 399.541 3.680 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3OCC)cc2[nH]c1=S ZINC000189625711 905222114 /nfs/dbraw/zinc/22/21/14/905222114.db2.gz PVTRWBSTXCAXQT-UHFFFAOYSA-N 0 2 381.457 3.522 20 30 GHEDLN N#C[C@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)c1cnc2ccccc2n1 ZINC000190957970 906478188 /nfs/dbraw/zinc/47/81/88/906478188.db2.gz JFUSGYWYWUWLCR-NSHDSACASA-N 0 2 375.338 3.788 20 30 GHEDLN Cc1nc(C)c(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)s1 ZINC000193902042 908787506 /nfs/dbraw/zinc/78/75/06/908787506.db2.gz JFEYBWLXCDNTOR-UHFFFAOYSA-N 0 2 376.488 3.556 20 30 GHEDLN C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccnn1CC1CCC1 ZINC000901894429 921708308 /nfs/dbraw/zinc/70/83/08/921708308.db2.gz UBYNMNGYHYCPPV-AWEZNQCLSA-N 0 2 390.534 3.878 20 30 GHEDLN CC#CCCCCCCCC(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001182769843 912037929 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/nfs/dbraw/zinc/93/96/06/842939606.db2.gz BHDUJOPBENZNEP-AWEZNQCLSA-N 0 2 391.381 3.836 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1C#N ZINC000065089621 843567539 /nfs/dbraw/zinc/56/75/39/843567539.db2.gz MXEZJFVZKTUQFT-UHFFFAOYSA-N 0 2 380.429 3.905 20 30 GHEDLN C=C(C)[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[nH]1)c1ccc(F)c(F)c1 ZINC000481467833 861448986 /nfs/dbraw/zinc/44/89/86/861448986.db2.gz VBMJGLJAMMZECZ-QGZVFWFLSA-N 0 2 375.423 3.922 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O ZINC000255470712 845946609 /nfs/dbraw/zinc/94/66/09/845946609.db2.gz BCDFSMQLUNGGTK-AWEZNQCLSA-N 0 2 393.921 3.669 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O ZINC000255470712 845946615 /nfs/dbraw/zinc/94/66/15/845946615.db2.gz BCDFSMQLUNGGTK-AWEZNQCLSA-N 0 2 393.921 3.669 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c(Cl)c1 ZINC000183068946 846236848 /nfs/dbraw/zinc/23/68/48/846236848.db2.gz PTDPSOKDKTUETA-UHFFFAOYSA-N 0 2 376.743 3.753 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)c(Cl)c1 ZINC000502810685 846492861 /nfs/dbraw/zinc/49/28/61/846492861.db2.gz AUBLXSWCOWXFAV-UHFFFAOYSA-N 0 2 380.828 3.940 20 30 GHEDLN C=CCCC[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000179667437 861694204 /nfs/dbraw/zinc/69/42/04/861694204.db2.gz LXDCLRMTCWLFBK-ZDUSSCGKSA-N 0 2 394.522 3.810 20 30 GHEDLN CC(C)Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000503965238 849791377 /nfs/dbraw/zinc/79/13/77/849791377.db2.gz RRWNBLWWNHMHLA-UHFFFAOYSA-N 0 2 380.473 3.879 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(OCC(F)(F)F)c2)cc1C#N ZINC000519207355 850741303 /nfs/dbraw/zinc/74/13/03/850741303.db2.gz AICKCPDJMFSCRV-UHFFFAOYSA-N 0 2 383.351 3.574 20 30 GHEDLN CC[C@@](C)(NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000520279933 854021641 /nfs/dbraw/zinc/02/16/41/854021641.db2.gz DEPKMZYMBRFPIX-SNVBAGLBSA-N 0 2 383.285 3.734 20 30 GHEDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000481959256 862552210 /nfs/dbraw/zinc/55/22/10/862552210.db2.gz KZQGVHYWCVKAGK-UHFFFAOYSA-N 0 2 389.433 3.671 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N([C@@H](C)c3ccco3)C3CC3)cc2[nH]c1=S ZINC000194171542 855959571 /nfs/dbraw/zinc/95/95/71/855959571.db2.gz HSJWCRVMUXTLIK-ZDUSSCGKSA-N 0 2 395.484 3.830 20 30 GHEDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)sc2C1 ZINC000303124460 856028335 /nfs/dbraw/zinc/02/83/35/856028335.db2.gz GMXSYPAUZMJRCK-SNVBAGLBSA-N 0 2 381.910 3.984 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)cc1C#N ZINC000536464780 856136586 /nfs/dbraw/zinc/13/65/86/856136586.db2.gz WOEVPPOHNHSTLF-UHFFFAOYSA-N 0 2 399.472 3.897 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc1F ZINC000427785946 856736464 /nfs/dbraw/zinc/73/64/64/856736464.db2.gz XTLGMILBPCLOEK-UHFFFAOYSA-N 0 2 387.367 3.825 20 30 GHEDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n(C)n1 ZINC000174012321 857196589 /nfs/dbraw/zinc/19/65/89/857196589.db2.gz XECCAQAAQUPWGZ-UHFFFAOYSA-N 0 2 386.864 3.721 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)cc1C#N ZINC001128231886 857333237 /nfs/dbraw/zinc/33/32/37/857333237.db2.gz VBQCTHQUJJQJCP-UHFFFAOYSA-N 0 2 399.497 3.776 20 30 GHEDLN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000594722227 858263293 /nfs/dbraw/zinc/26/32/93/858263293.db2.gz GYEBIPLTDKDOTH-UHFFFAOYSA-N 0 2 376.463 3.563 20 30 GHEDLN CCCCc1nnc(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000594725580 858265141 /nfs/dbraw/zinc/26/51/41/858265141.db2.gz HDHWDGFOORIBOW-UHFFFAOYSA-N 0 2 376.463 3.608 20 30 GHEDLN Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(CSc4nccn4C)o3)[nH]c21 ZINC000605363210 863009540 /nfs/dbraw/zinc/00/95/40/863009540.db2.gz OUNULRPQZMESFJ-CQSZACIVSA-N 0 2 391.456 3.980 20 30 GHEDLN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1NC(=O)C(C)(C)C ZINC000158164317 858485950 /nfs/dbraw/zinc/48/59/50/858485950.db2.gz UJSLRSCDHMVMJA-UHFFFAOYSA-N 0 2 389.452 3.791 20 30 GHEDLN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000171106596 863057270 /nfs/dbraw/zinc/05/72/70/863057270.db2.gz JPTCVJNGAJRAMP-UHFFFAOYSA-N 0 2 383.411 3.969 20 30 GHEDLN CCCCOCCOCc1cccc(NS(=O)(=O)c2ccsc2C#N)c1 ZINC000593202464 858948600 /nfs/dbraw/zinc/94/86/00/858948600.db2.gz SSRCOYWIZQPUNB-UHFFFAOYSA-N 0 2 394.518 3.754 20 30 GHEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000176512629 881372470 /nfs/dbraw/zinc/37/24/70/881372470.db2.gz OVWPFPZZVRFEMR-UHFFFAOYSA-N 0 2 376.743 3.737 20 30 GHEDLN N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000765048394 859763334 /nfs/dbraw/zinc/76/33/34/859763334.db2.gz WCNPWYLRIDPVFK-KRWDZBQOSA-N 0 2 390.424 3.679 20 30 GHEDLN CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C#N)nc3)n2)s1 ZINC000727246762 860012534 /nfs/dbraw/zinc/01/25/34/860012534.db2.gz WNCHZRDVIFSPMK-UHFFFAOYSA-N 0 2 376.488 3.501 20 30 GHEDLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(C#N)c3)s2)cc1F ZINC000603582565 860863120 /nfs/dbraw/zinc/86/31/20/860863120.db2.gz HBMRKRRKHPEQSA-UHFFFAOYSA-N 0 2 387.461 3.854 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCc4ccc(C)cc43)cc2[nH]c1=S ZINC000730223436 860966297 /nfs/dbraw/zinc/96/62/97/860966297.db2.gz NTNDVPUJCUYLBZ-SFHVURJKSA-N 0 2 391.496 3.597 20 30 GHEDLN N#C[C@@H](C(=O)CCCn1c(=O)oc2ccccc21)c1nc2cc(F)ccc2s1 ZINC000730422869 861104200 /nfs/dbraw/zinc/10/42/00/861104200.db2.gz XVHBXQHWGBAFRG-ZDUSSCGKSA-N 0 2 395.415 4.000 20 30 GHEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3nn(CC(C)C)c(=O)c4ccccc43)nc21 ZINC000522830760 863499190 /nfs/dbraw/zinc/49/91/90/863499190.db2.gz WTRPWMRXQOFDNT-KRWDZBQOSA-N 0 2 399.454 3.727 20 30 GHEDLN Cc1cccc2nc([C@@H](C#N)C(=O)c3nn(CC(C)C)c(=O)c4ccccc43)[nH]c21 ZINC000522830760 863499197 /nfs/dbraw/zinc/49/91/97/863499197.db2.gz WTRPWMRXQOFDNT-KRWDZBQOSA-N 0 2 399.454 3.727 20 30 GHEDLN Cc1csc(C(C#N)C(=O)c2cn(-c3ccc(Br)cc3)cn2)n1 ZINC000165254927 864659839 /nfs/dbraw/zinc/65/98/39/864659839.db2.gz ISMZMWHIUOECRV-CYBMUJFWSA-N 0 2 387.262 3.890 20 30 GHEDLN Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3F)cc2)nc1 ZINC000739671524 865777816 /nfs/dbraw/zinc/77/78/16/865777816.db2.gz GLQJQBRBANPREQ-UHFFFAOYSA-N 0 2 383.404 3.994 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)Cc2c[nH]c3ccc(Cl)cc23)n1 ZINC000740539606 865942957 /nfs/dbraw/zinc/94/29/57/865942957.db2.gz UCBCIDBJMDMCML-ZDUSSCGKSA-N 0 2 387.848 3.873 20 30 GHEDLN CCCc1cnc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000183203172 866329014 /nfs/dbraw/zinc/32/90/14/866329014.db2.gz SKMWUUDPKMYTJU-UHFFFAOYSA-N 0 2 375.397 3.787 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000071091733 866460987 /nfs/dbraw/zinc/46/09/87/866460987.db2.gz CAFHKVKEEPVOJD-UHFFFAOYSA-N 0 2 392.362 3.564 20 30 GHEDLN CC(C)(C)OC(=O)NC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C1CCCC1 ZINC000766283362 867378856 /nfs/dbraw/zinc/37/88/56/867378856.db2.gz JNWFRVKMOWXDQF-VBNMEBLOSA-N 0 2 377.441 3.803 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCc4c(C)cccc4C3)cc2[nH]c1=S ZINC000171541137 882136427 /nfs/dbraw/zinc/13/64/27/882136427.db2.gz XPPQMZWIPDVZRO-UHFFFAOYSA-N 0 2 391.496 3.752 20 30 GHEDLN Cc1ccc(F)c(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC(C)C)c1 ZINC000743514661 868241694 /nfs/dbraw/zinc/24/16/94/868241694.db2.gz REKIFWOIUVZUHB-QGZVFWFLSA-N 0 2 391.512 3.780 20 30 GHEDLN Cc1ccc(F)c(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC(C)C)c1 ZINC000743514661 868241709 /nfs/dbraw/zinc/24/17/09/868241709.db2.gz REKIFWOIUVZUHB-QGZVFWFLSA-N 0 2 391.512 3.780 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2F)N(CCCC(C)C)C1=O ZINC000743513237 868253092 /nfs/dbraw/zinc/25/30/92/868253092.db2.gz CUWNLJVPFDSOSS-INIZCTEOSA-N 0 2 379.501 3.638 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCCC(C)C)C1=O ZINC000743513237 868253107 /nfs/dbraw/zinc/25/31/07/868253107.db2.gz CUWNLJVPFDSOSS-INIZCTEOSA-N 0 2 379.501 3.638 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](C)CC(=O)c2cccc(F)c2)n1 ZINC000744072333 868570614 /nfs/dbraw/zinc/57/06/14/868570614.db2.gz RIJRIIOBOXHMMK-FZMZJTMJSA-N 0 2 388.420 3.544 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)c2cccc(F)c2)n1 ZINC000744072333 868570616 /nfs/dbraw/zinc/57/06/16/868570616.db2.gz RIJRIIOBOXHMMK-FZMZJTMJSA-N 0 2 388.420 3.544 20 30 GHEDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)ccc1C#N ZINC000446776176 870332613 /nfs/dbraw/zinc/33/26/13/870332613.db2.gz MMYURWZPUWYIRI-UHFFFAOYSA-N 0 2 390.424 3.871 20 30 GHEDLN Cc1cc(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)ccc1C#N ZINC000446778910 870387344 /nfs/dbraw/zinc/38/73/44/870387344.db2.gz YZVXMEQCPGZVBF-LBPRGKRZSA-N 0 2 376.482 3.665 20 30 GHEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cc(F)c(C)c(Br)c2)c1 ZINC001193687453 871237547 /nfs/dbraw/zinc/23/75/47/871237547.db2.gz DLBDZDAJZUFWSX-UHFFFAOYSA-N 0 2 399.241 3.578 20 30 GHEDLN N#Cc1cc(F)cc(F)c1NS(=O)(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1 ZINC001194380639 871659689 /nfs/dbraw/zinc/65/96/89/871659689.db2.gz ROVDGQTVCCMEMC-UHFFFAOYSA-N 0 2 395.774 3.544 20 30 GHEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000463521147 871977556 /nfs/dbraw/zinc/97/75/56/871977556.db2.gz GLAXYZFBKZAJLL-UHFFFAOYSA-N 0 2 387.848 3.812 20 30 GHEDLN Cc1csc(C(C#N)C(=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000102115518 872574394 /nfs/dbraw/zinc/57/43/94/872574394.db2.gz XGFFODKYJQRIQR-CYBMUJFWSA-N 0 2 383.454 3.723 20 30 GHEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(F)c(F)ccc2c1 ZINC001196650190 873286557 /nfs/dbraw/zinc/28/65/57/873286557.db2.gz IEZFFYWTWLRTMJ-UHFFFAOYSA-N 0 2 379.775 3.839 20 30 GHEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccncc1 ZINC001196690595 873329369 /nfs/dbraw/zinc/32/93/69/873329369.db2.gz QKKXXACJLXZLPK-UHFFFAOYSA-N 0 2 397.843 3.638 20 30 GHEDLN CC(C)(C)n1ncc2c1nc(N=NCCCCCOc1ccccc1)[nH]c2=O ZINC000769814157 874304448 /nfs/dbraw/zinc/30/44/48/874304448.db2.gz YUGMMCWGHKJUEE-UHFFFAOYSA-N 0 2 382.468 3.934 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)c3cccc(SC)c3)cc2[nH]c1=S ZINC000104375806 874342706 /nfs/dbraw/zinc/34/27/06/874342706.db2.gz YJDKBDSQXSZTCZ-UHFFFAOYSA-N 0 2 397.525 3.870 20 30 GHEDLN Cc1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1C#N ZINC001201294622 875614664 /nfs/dbraw/zinc/61/46/64/875614664.db2.gz BLLUKQDLBAHGDY-UHFFFAOYSA-N 0 2 379.441 3.642 20 30 GHEDLN Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)OC(C)(C)C)cc1C#N ZINC001201295627 875616001 /nfs/dbraw/zinc/61/60/01/875616001.db2.gz WJKOMVGMPITDBR-UHFFFAOYSA-N 0 2 378.475 3.684 20 30 GHEDLN C=C(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1OCC ZINC001201539583 875735645 /nfs/dbraw/zinc/73/56/45/875735645.db2.gz DIVJQFDQUBDJKO-UHFFFAOYSA-N 0 2 375.446 3.706 20 30 GHEDLN COC(=O)Nc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cc(C(F)(F)F)c1 ZINC000763470312 878243526 /nfs/dbraw/zinc/24/35/26/878243526.db2.gz AKDQAPMXEUSNMV-CQSZACIVSA-N 0 2 392.337 3.781 20 30 GHEDLN CCCCN(CC)c1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000179978175 878290310 /nfs/dbraw/zinc/29/03/10/878290310.db2.gz CXGBOUOAEMETHF-OAQYLSRUSA-N 0 2 377.488 3.952 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N([C@@H]2CCc3ccccc32)C1=O ZINC000853134081 878839094 /nfs/dbraw/zinc/83/90/94/878839094.db2.gz RFALNJUBHQAMTB-RTBURBONSA-N 0 2 393.512 3.750 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H]2CCc3ccccc32)C1=O ZINC000853134081 878839102 /nfs/dbraw/zinc/83/91/02/878839102.db2.gz RFALNJUBHQAMTB-RTBURBONSA-N 0 2 393.512 3.750 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H]2C=CCC2)C1=O ZINC000853202726 878889621 /nfs/dbraw/zinc/88/96/21/878889621.db2.gz SADHNHHVFKDFIB-KBPBESRZSA-N 0 2 398.315 3.780 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)cc(Cl)c2)N([C@H]2C=CCC2)C1=O ZINC000853202726 878889634 /nfs/dbraw/zinc/88/96/34/878889634.db2.gz SADHNHHVFKDFIB-KBPBESRZSA-N 0 2 398.315 3.780 20 30 GHEDLN CC(=O)c1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)sc2c1 ZINC000789761351 879240768 /nfs/dbraw/zinc/24/07/68/879240768.db2.gz HAYCFIUUIAAFEA-UHFFFAOYSA-N 0 2 391.861 3.825 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCc4sccc4[C@@H]3C)cc2[nH]c1=S ZINC000789838773 879297150 /nfs/dbraw/zinc/29/71/50/879297150.db2.gz SHKDJCFKVMHUIQ-LBPRGKRZSA-N 0 2 397.525 3.692 20 30 GHEDLN O=C(CC1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)NC1CC1 ZINC000790723804 879963286 /nfs/dbraw/zinc/96/32/86/879963286.db2.gz DDVXZALLXOLDFT-AWEZNQCLSA-N 0 2 391.543 3.610 20 30 GHEDLN O=C(C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccsc2)C1=O)NC1CC1 ZINC000790723804 879963302 /nfs/dbraw/zinc/96/33/02/879963302.db2.gz DDVXZALLXOLDFT-AWEZNQCLSA-N 0 2 391.543 3.610 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N([C@@H]2CC23CCCCC3)C1=O ZINC000790750710 879981214 /nfs/dbraw/zinc/98/12/14/879981214.db2.gz REFFBJZRKMAYLY-ZIAGYGMSSA-N 0 2 377.535 3.539 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H]2CC23CCCCC3)C1=O ZINC000790750710 879981227 /nfs/dbraw/zinc/98/12/27/879981227.db2.gz REFFBJZRKMAYLY-ZIAGYGMSSA-N 0 2 377.535 3.539 20 30 GHEDLN Cn1ncc2c1nc(N=NC1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)[nH]c2=O ZINC000776770394 880202004 /nfs/dbraw/zinc/20/20/04/880202004.db2.gz UNQUWBWGYMCPBH-GFCCVEGCSA-N 0 2 390.369 3.823 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(F)c(C)c3)cc2[nH]c1=S ZINC000010551792 880727000 /nfs/dbraw/zinc/72/70/00/880727000.db2.gz HCTWMLUQHMOBSH-UHFFFAOYSA-N 0 2 383.448 3.623 20 30 GHEDLN N#C[C@@H](C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)c1nccc2ccccc21 ZINC000792094086 880922762 /nfs/dbraw/zinc/92/27/62/880922762.db2.gz MSUDTCZWHIFDRY-HUUCEWRRSA-N 0 2 391.349 3.574 20 30 GHEDLN N#CC(C(=O)[C@H](c1ccccc1F)N1CCOCC1)c1nccc2ccccc21 ZINC000792096731 880925512 /nfs/dbraw/zinc/92/55/12/880925512.db2.gz QHIQQLNFFMMYSE-KNQAVFIVSA-N 0 2 389.430 3.624 20 30 GHEDLN N#C[C@@H](C(=O)[C@H](c1ccccc1F)N1CCOCC1)c1nccc2ccccc21 ZINC000792096731 880925521 /nfs/dbraw/zinc/92/55/21/880925521.db2.gz QHIQQLNFFMMYSE-KNQAVFIVSA-N 0 2 389.430 3.624 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2C)N(Cc2cccs2)C1=O ZINC000914545784 884119441 /nfs/dbraw/zinc/11/94/41/884119441.db2.gz MOKYBUUZNDJYAZ-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(Cc2cccs2)C1=O ZINC000914545784 884119442 /nfs/dbraw/zinc/11/94/42/884119442.db2.gz MOKYBUUZNDJYAZ-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2cccs2)C1=O ZINC000914546902 884123004 /nfs/dbraw/zinc/12/30/04/884123004.db2.gz JSLRDWRVZFYAIO-BBRMVZONSA-N 0 2 387.530 3.885 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N([C@@H](C)c2cccs2)C1=O ZINC000914546902 884123021 /nfs/dbraw/zinc/12/30/21/884123021.db2.gz JSLRDWRVZFYAIO-BBRMVZONSA-N 0 2 387.530 3.885 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C)c(F)c2)C1=O ZINC000914547107 884124698 /nfs/dbraw/zinc/12/46/98/884124698.db2.gz LZKUFQMKKXOABQ-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(C)c(F)c2)C1=O ZINC000914547107 884124713 /nfs/dbraw/zinc/12/47/13/884124713.db2.gz LZKUFQMKKXOABQ-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(Cc2sccc2C)C1=O ZINC000914547078 884125042 /nfs/dbraw/zinc/12/50/42/884125042.db2.gz LCRFSMRCHHCVMD-HNNXBMFYSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2sccc2C)C1=O ZINC000914547078 884125056 /nfs/dbraw/zinc/12/50/56/884125056.db2.gz LCRFSMRCHHCVMD-HNNXBMFYSA-N 0 2 387.530 3.633 20 30 GHEDLN CCc1ccccc1N=C1SC(CC(=O)NC)C(=O)N1CCc1ccccc1 ZINC000914551194 884134847 /nfs/dbraw/zinc/13/48/47/884134847.db2.gz ZHRWJRKLWORDIQ-IBGZPJMESA-N 0 2 395.528 3.559 20 30 GHEDLN CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1CCc1ccccc1 ZINC000914551194 884134856 /nfs/dbraw/zinc/13/48/56/884134856.db2.gz ZHRWJRKLWORDIQ-IBGZPJMESA-N 0 2 395.528 3.559 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(Cc2sccc2C)C1=O ZINC000914540922 884140309 /nfs/dbraw/zinc/14/03/09/884140309.db2.gz FNKMEHKZAUZKET-OAHLLOKOSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2sccc2C)C1=O ZINC000914540922 884140313 /nfs/dbraw/zinc/14/03/13/884140313.db2.gz FNKMEHKZAUZKET-OAHLLOKOSA-N 0 2 387.530 3.633 20 30 GHEDLN O=C(CC1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)NC1CC1 ZINC000914541311 884140632 /nfs/dbraw/zinc/14/06/32/884140632.db2.gz POJJXHHFFNWLRI-GOSISDBHSA-N 0 2 397.475 3.626 20 30 GHEDLN O=C(C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccccc2)C1=O)NC1CC1 ZINC000914541311 884140640 /nfs/dbraw/zinc/14/06/40/884140640.db2.gz POJJXHHFFNWLRI-GOSISDBHSA-N 0 2 397.475 3.626 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691754 884522576 /nfs/dbraw/zinc/52/25/76/884522576.db2.gz RQASKJTUCIXIKP-MAUKXSAKSA-N 0 2 399.516 3.595 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691754 884522589 /nfs/dbraw/zinc/52/25/89/884522589.db2.gz RQASKJTUCIXIKP-MAUKXSAKSA-N 0 2 399.516 3.595 20 30 GHEDLN N#C[C@H](C(=O)CC(C1CCC1)C1CCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000860465985 884702205 /nfs/dbraw/zinc/70/22/05/884702205.db2.gz POQITWOPRSJFIF-GOSISDBHSA-N 0 2 390.491 3.980 20 30 GHEDLN N#CC(C(=O)c1cnc(OCC2CC2)cn1)c1nc(-c2ccccc2)cs1 ZINC000556568566 885490801 /nfs/dbraw/zinc/49/08/01/885490801.db2.gz RIDWKBRPMZMQHK-OAHLLOKOSA-N 0 2 376.441 3.879 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2C)N(CCSC(C)C)C1=O ZINC000807929747 885863691 /nfs/dbraw/zinc/86/36/91/885863691.db2.gz NGDSHTVDXSNNDT-INIZCTEOSA-N 0 2 393.578 3.513 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCSC(C)C)C1=O ZINC000807929747 885863701 /nfs/dbraw/zinc/86/37/01/885863701.db2.gz NGDSHTVDXSNNDT-INIZCTEOSA-N 0 2 393.578 3.513 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2Cl)N(CCSC(C)C)C1=O ZINC000807932379 885869115 /nfs/dbraw/zinc/86/91/15/885869115.db2.gz YTCCOQCMXSYPNR-AWEZNQCLSA-N 0 2 399.969 3.549 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCSC(C)C)C1=O ZINC000807932379 885869128 /nfs/dbraw/zinc/86/91/28/885869128.db2.gz YTCCOQCMXSYPNR-AWEZNQCLSA-N 0 2 399.969 3.549 20 30 GHEDLN CC[C@H](c1nnc(NS(=O)(=O)c2cc(C#N)ccc2C)o1)c1ccccc1 ZINC000194958859 885994724 /nfs/dbraw/zinc/99/47/24/885994724.db2.gz NONYLNUUWUCGGT-INIZCTEOSA-N 0 2 382.445 3.592 20 30 GHEDLN Cc1ccccc1N=C1SC(CC(=O)NC2CC2)C(=O)N1CC1CC=CC1 ZINC000863038768 886840019 /nfs/dbraw/zinc/84/00/19/886840019.db2.gz YPXNXKBGTNNXQE-GOSISDBHSA-N 0 2 383.517 3.561 20 30 GHEDLN Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC1CC=CC1 ZINC000863038768 886840030 /nfs/dbraw/zinc/84/00/30/886840030.db2.gz YPXNXKBGTNNXQE-GOSISDBHSA-N 0 2 383.517 3.561 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@H]2CCc3c2cccc3C)C1=O ZINC000729633259 887276348 /nfs/dbraw/zinc/27/63/48/887276348.db2.gz CQIJAAHSIBMNGE-OALUTQOASA-N 0 2 393.512 3.750 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CCc3c2cccc3C)C1=O ZINC000729633259 887276364 /nfs/dbraw/zinc/27/63/64/887276364.db2.gz CQIJAAHSIBMNGE-OALUTQOASA-N 0 2 393.512 3.750 20 30 GHEDLN COc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)sc2c1 ZINC000194103044 888047928 /nfs/dbraw/zinc/04/79/28/888047928.db2.gz PDPMUYNFDVZXLV-UHFFFAOYSA-N 0 2 379.850 3.631 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H]2CCC(F)(F)C2)c1 ZINC000763210360 888302611 /nfs/dbraw/zinc/30/26/11/888302611.db2.gz LBPRCHVSELZJDH-CABCVRRESA-N 0 2 395.475 3.504 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H]2CCC(F)(F)C2)c1 ZINC000763210360 888302630 /nfs/dbraw/zinc/30/26/30/888302630.db2.gz LBPRCHVSELZJDH-CABCVRRESA-N 0 2 395.475 3.504 20 30 GHEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2C[C@H]2C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000810519248 888586649 /nfs/dbraw/zinc/58/66/49/888586649.db2.gz BQHIPXQJPCFZLM-XHSDSOJGSA-N 0 2 389.521 3.911 20 30 GHEDLN CCC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)cc(Cl)c1O ZINC000916591878 889154299 /nfs/dbraw/zinc/15/42/99/889154299.db2.gz RMJFVSOHDFKKER-UHFFFAOYSA-N 0 2 388.276 3.573 20 30 GHEDLN Oc1c(Br)cc(CN=Nc2ncccc2F)cc1Br ZINC000794993672 889329693 /nfs/dbraw/zinc/32/96/93/889329693.db2.gz OBTVIJPBSRFAQQ-UHFFFAOYSA-N 0 2 389.022 3.897 20 30 GHEDLN N#Cc1cc(Cl)ncc1NS(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000811830877 890017394 /nfs/dbraw/zinc/01/73/94/890017394.db2.gz JZLYWNJKSCIXOU-AATRIKPKSA-N 0 2 398.669 3.782 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H]2CC[C@H]2C)C1=O ZINC000795175898 890825250 /nfs/dbraw/zinc/82/52/50/890825250.db2.gz FEOQYZATPZXWCP-UGFHNGPFSA-N 0 2 393.940 3.823 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H]2CC[C@H]2C)C1=O ZINC000795175898 890825257 /nfs/dbraw/zinc/82/52/57/890825257.db2.gz FEOQYZATPZXWCP-UGFHNGPFSA-N 0 2 393.940 3.823 20 30 GHEDLN 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1035306310 /nfs/dbraw/zinc/30/63/10/1035306310.db2.gz RNCYLXQLEWESFX-UHFFFAOYSA-N 0 2 397.500 3.559 20 30 GHEDLN N#Cc1ccc(C2=NN(c3nc(Cl)ccc3Br)C(=O)C2)cc1 ZINC001245933522 1037064324 /nfs/dbraw/zinc/06/43/24/1037064324.db2.gz RDOAIPQVPYGRNG-UHFFFAOYSA-N 0 2 375.613 3.927 20 30 GHEDLN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2[O-])C1 ZINC001233387118 1039210829 /nfs/dbraw/zinc/21/08/29/1039210829.db2.gz VOUYKHZDTINIJK-CABCVRRESA-N 0 2 399.413 3.541 20 30 GHEDLN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2[O-])C1 ZINC001233387118 1039210841 /nfs/dbraw/zinc/21/08/41/1039210841.db2.gz VOUYKHZDTINIJK-CABCVRRESA-N 0 2 399.413 3.541 20 30 GHEDLN N#C[C@H]1CC[C@@H](Oc2cc(O)cc3oc(-c4c(O)cccc4O)cc(=O)c23)C1 ZINC001234729662 1040258658 /nfs/dbraw/zinc/25/86/58/1040258658.db2.gz VOSFCBDQUVRKAR-WCQYABFASA-N 0 2 379.368 3.648 20 30 GHEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC001293502813 1044216684 /nfs/dbraw/zinc/21/66/84/1044216684.db2.gz NIZUFSWVJWGDEL-NDEPHWFRSA-N 0 2 391.452 3.527 20 30 GHEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(C(F)(F)F)cc2)cc1 ZINC001258045209 1044367590 /nfs/dbraw/zinc/36/75/90/1044367590.db2.gz FTVLTNHPVRRPBP-UHFFFAOYSA-N 0 2 392.362 3.564 20 30 GHEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(Br)nc2ccccc21 ZINC001258208766 1044471348 /nfs/dbraw/zinc/47/13/48/1044471348.db2.gz WSCCXVCVQQIFPH-UHFFFAOYSA-N 0 2 388.246 3.670 20 30 GHEDLN CC(C)(C)OC(=O)Nc1c(F)cccc1NS(=O)(=O)c1ccccc1C#N ZINC001258283353 1044490037 /nfs/dbraw/zinc/49/00/37/1044490037.db2.gz RVQDVDLYCDADMA-UHFFFAOYSA-N 0 2 391.424 3.845 20 30 GHEDLN COC(=O)c1sc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259412593 1045134977 /nfs/dbraw/zinc/13/49/77/1045134977.db2.gz MOIYKSQOZXAAFI-UHFFFAOYSA-N 0 2 396.465 3.644 20 30 GHEDLN C#Cc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1F ZINC001260330235 1045464186 /nfs/dbraw/zinc/46/41/86/1045464186.db2.gz IHNAFODYCVEPOS-UHFFFAOYSA-N 0 2 390.180 3.649 20 30 GHEDLN C#Cc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1F ZINC001260331486 1045465078 /nfs/dbraw/zinc/46/50/78/1045465078.db2.gz YYNGQEGGBYIQNX-UHFFFAOYSA-N 0 2 390.180 3.649 20 30 GHEDLN CCc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2C/C=C\C2CC2)cc1 ZINC001261235316 1045933237 /nfs/dbraw/zinc/93/32/37/1045933237.db2.gz OVNWRRDUYJMXNO-MHGAPZMCSA-N 0 2 397.544 3.815 20 30 GHEDLN CCc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2C/C=C\C2CC2)cc1 ZINC001261235316 1045933245 /nfs/dbraw/zinc/93/32/45/1045933245.db2.gz OVNWRRDUYJMXNO-MHGAPZMCSA-N 0 2 397.544 3.815 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)cc1C#N ZINC001337219015 1052427172 /nfs/dbraw/zinc/42/71/72/1052427172.db2.gz HSWROBVSAJHMIJ-UHFFFAOYSA-N 0 2 388.880 3.521 20 30 GHEDLN N#CCc1ccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1 ZINC001343391578 1053745465 /nfs/dbraw/zinc/74/54/65/1053745465.db2.gz BDSDVQKKMSSNBE-HXUWFJFHSA-N 0 2 392.484 3.676 20 30 GHEDLN CCc1nc2ccc(C(=O)[C@H](C#N)c3nc(N)c4ccccc4n3)cc2nc1CC ZINC001343982118 1054158725 /nfs/dbraw/zinc/15/87/25/1054158725.db2.gz FAUNVHMOEDYAJG-HNNXBMFYSA-N 0 2 396.454 3.770 20 30 GHEDLN N#CC(C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(N)c2ccccc2n1 ZINC001344538833 1054551574 /nfs/dbraw/zinc/55/15/74/1054551574.db2.gz BATAXDHEPQAWGM-KRWDZBQOSA-N 0 2 399.479 3.678 20 30 GHEDLN N#C[C@@H](C(=O)Cc1csc(Cc2ccccc2)n1)c1nc(N)c2ccccc2n1 ZINC001344538833 1054551588 /nfs/dbraw/zinc/55/15/88/1054551588.db2.gz BATAXDHEPQAWGM-KRWDZBQOSA-N 0 2 399.479 3.678 20 30 GHEDLN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)C(F)C(F)(F)F ZINC001355048812 1057031337 /nfs/dbraw/zinc/03/13/37/1057031337.db2.gz GLOSVNFKEMJRSS-SSDOTTSWSA-N 0 2 384.704 3.863 20 30 GHEDLN O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)[C@@H](F)C(F)(F)F ZINC001355048812 1057031340 /nfs/dbraw/zinc/03/13/40/1057031340.db2.gz GLOSVNFKEMJRSS-SSDOTTSWSA-N 0 2 384.704 3.863 20 30 GHEDLN N#CCc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)ncn2C2CC2)cc1 ZINC001324000481 1057052775 /nfs/dbraw/zinc/05/27/75/1057052775.db2.gz HVAWSNFCQKKJKB-UHFFFAOYSA-N 0 2 378.457 3.752 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2C/C=C/C2CC2)c1 ZINC001324913513 1057247002 /nfs/dbraw/zinc/24/70/02/1057247002.db2.gz NWWHMURNPJECFK-POZJBBRMSA-N 0 2 383.517 3.561 20 30 GHEDLN Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2C/C=C/C2CC2)c1 ZINC001324913513 1057247007 /nfs/dbraw/zinc/24/70/07/1057247007.db2.gz NWWHMURNPJECFK-POZJBBRMSA-N 0 2 383.517 3.561 20 30 GHEDLN N#C[C@H](C(=O)c1ncc(C(F)(F)F)cc1Cl)c1nnc2n1CCCCC2 ZINC001356556456 1057548040 /nfs/dbraw/zinc/54/80/40/1057548040.db2.gz JILVNHLBPVMLDA-SNVBAGLBSA-N 0 2 383.761 3.562 20 30 GHEDLN C=C(C)Cn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001357160495 1057621330 /nfs/dbraw/zinc/62/13/30/1057621330.db2.gz QYYOIUSJPDTWCC-CYBMUJFWSA-N 0 2 398.433 3.612 20 30 GHEDLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cc(F)c(C#N)c(F)c3)=N2)c1 ZINC001448191093 1060130402 /nfs/dbraw/zinc/13/04/02/1060130402.db2.gz ZFAGYSPOZQGDPO-UHFFFAOYSA-N 0 2 396.397 3.781 20 30 GHEDLN C=C(C)CONC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 ZINC001452756852 1061003985 /nfs/dbraw/zinc/00/39/85/1061003985.db2.gz REAYUEFWDVZAQW-UHFFFAOYSA-N 0 2 398.463 3.789 20 30 GHEDLN C=CC(C)(C)CC(=O)Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 ZINC001352887188 1065416815 /nfs/dbraw/zinc/41/68/15/1065416815.db2.gz JIRPWPXKDOKSJQ-UHFFFAOYSA-N 0 2 376.322 3.996 20 30 GHEDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1ccc(C)c(C#N)c1 ZINC001479275751 1079170990 /nfs/dbraw/zinc/17/09/90/1079170990.db2.gz JONLWJPPRBNVNX-UHFFFAOYSA-N 0 2 395.488 3.699 20 30 GHEDLN Cc1c(C(C)N=Nc2cc(C)ccc2F)cnn1-c1ccc(-c2nn[nH]n2)cc1 ZINC000819772772 607110621 /nfs/dbraw/zinc/11/06/21/607110621.db2.gz LNDIFNWQYVQLLK-UHFFFAOYSA-N 0 2 390.426 3.644 20 30 GHEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000471114543 834672683 /nfs/dbraw/zinc/67/26/83/834672683.db2.gz VQBXDUVHVYIHGV-UHFFFAOYSA-N 0 2 379.397 3.519 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2cccc(F)c2)C1=O ZINC000255578130 834901115 /nfs/dbraw/zinc/90/11/15/834901115.db2.gz YUUWWQVLSRYTTA-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cccc(F)c2)C1=O ZINC000255578130 834901122 /nfs/dbraw/zinc/90/11/22/834901122.db2.gz YUUWWQVLSRYTTA-SFHVURJKSA-N 0 2 399.491 3.710 20 30 GHEDLN C=CCn1c(-c2ccccn2)n[n-]c1=[NH+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000584081876 835564284 /nfs/dbraw/zinc/56/42/84/835564284.db2.gz OLEMLJWKDZJNOY-KBXCAEBGSA-N 0 2 383.883 3.790 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N(Cc2cccs2)C1=O ZINC000255780589 835835793 /nfs/dbraw/zinc/83/57/93/835835793.db2.gz XRLFWOKYZOMSIE-INIZCTEOSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(Cc2cccs2)C1=O ZINC000255780589 835835805 /nfs/dbraw/zinc/83/58/05/835835805.db2.gz XRLFWOKYZOMSIE-INIZCTEOSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2C)C1=O ZINC000255906202 837097476 /nfs/dbraw/zinc/09/74/76/837097476.db2.gz GNYZGAOFOLABFO-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(Cc2ccc(C)cc2C)C1=O ZINC000255906202 837097495 /nfs/dbraw/zinc/09/74/95/837097495.db2.gz GNYZGAOFOLABFO-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN Cc1csc(C(C#N)C(=O)CSc2nnc3cc(C)c4ccccc4n32)n1 ZINC000006912340 844276035 /nfs/dbraw/zinc/27/60/35/844276035.db2.gz SWBNXYBCFSTWJV-AWEZNQCLSA-N 0 2 393.497 3.924 20 30 GHEDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000610336121 838533609 /nfs/dbraw/zinc/53/36/09/838533609.db2.gz PGVODBQNQRVMBI-UHFFFAOYSA-N 0 2 386.399 3.772 20 30 GHEDLN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)N=c1ncn(C2CCCCC2)[nH]1 ZINC000376883014 838808375 /nfs/dbraw/zinc/80/83/75/838808375.db2.gz DVSDXDURWLVFCV-RBUKOAKNSA-N 0 2 378.480 3.509 20 30 GHEDLN O=C1c2cccc(Br)c2OC/C1=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000748147367 838862682 /nfs/dbraw/zinc/86/26/82/838862682.db2.gz NMSJKOFQJHJLMO-POHAHGRESA-N 0 2 376.162 3.722 20 30 GHEDLN Cc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])c(O)c2)nnn1-c1ccc(Cl)cc1 ZINC000748148572 838898377 /nfs/dbraw/zinc/89/83/77/838898377.db2.gz UOKNWZWPMILWLI-OQFOIZHKSA-N 0 2 384.779 3.739 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O ZINC000255180326 839066693 /nfs/dbraw/zinc/06/66/93/839066693.db2.gz XIGIKAFDCRIHMY-ZWKOTPCHSA-N 0 2 397.475 3.581 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H]2CCc3cc(F)ccc32)C1=O ZINC000255180326 839066698 /nfs/dbraw/zinc/06/66/98/839066698.db2.gz XIGIKAFDCRIHMY-ZWKOTPCHSA-N 0 2 397.475 3.581 20 30 GHEDLN CC(C)c1ccc(-c2nc(CC(=O)C(C#N)=C([O-])c3[nH+]ccn3C)cs2)cc1 ZINC000892862873 839265906 /nfs/dbraw/zinc/26/59/06/839265906.db2.gz GCKASUFVXNSGSD-QGZVFWFLSA-N 0 2 392.484 3.801 20 30 GHEDLN CC(C)c1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000177763768 839566711 /nfs/dbraw/zinc/56/67/11/839566711.db2.gz MIWJXQDHDHSLIE-ROUUACIJSA-N 0 2 395.528 3.924 20 30 GHEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000177763768 839566726 /nfs/dbraw/zinc/56/67/26/839566726.db2.gz MIWJXQDHDHSLIE-ROUUACIJSA-N 0 2 395.528 3.924 20 30 GHEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000014870963 840146529 /nfs/dbraw/zinc/14/65/29/840146529.db2.gz HFQRDPPGKSWTEO-UHFFFAOYSA-N 0 2 392.362 3.564 20 30 GHEDLN CCc1ccc(S(=O)(=O)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000580766553 840155676 /nfs/dbraw/zinc/15/56/76/840155676.db2.gz KCQLAOPCBABXAH-UHFFFAOYSA-N 0 2 380.469 3.774 20 30 GHEDLN N#CC(C(=O)[C@@H]1CCNC(=O)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000162546231 841374845 /nfs/dbraw/zinc/37/48/45/841374845.db2.gz RBDLYUKXVXKBCH-BXKDBHETSA-N 0 2 394.283 3.819 20 30 GHEDLN N#C[C@H](C(=O)[C@@H]1CCNC(=O)C1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000162546231 841374864 /nfs/dbraw/zinc/37/48/64/841374864.db2.gz RBDLYUKXVXKBCH-BXKDBHETSA-N 0 2 394.283 3.819 20 30 GHEDLN N#Cc1cc(F)cc(C2(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CC2)c1 ZINC000511971766 843314038 /nfs/dbraw/zinc/31/40/38/843314038.db2.gz LEGXIHXYGATXKJ-UHFFFAOYSA-N 0 2 398.850 3.961 20 30 GHEDLN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)n(-c2ccc(Cl)cc2)n1 ZINC000513383676 845358696 /nfs/dbraw/zinc/35/86/96/845358696.db2.gz KTMRWHDCHZEBFU-UHFFFAOYSA-N 0 2 386.864 3.815 20 30 GHEDLN CCCS(=O)(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000538498181 845499587 /nfs/dbraw/zinc/49/95/87/845499587.db2.gz MCFJRECSWWTUKG-UHFFFAOYSA-N 0 2 389.424 3.776 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O ZINC000255470713 845946191 /nfs/dbraw/zinc/94/61/91/845946191.db2.gz BCDFSMQLUNGGTK-CQSZACIVSA-N 0 2 393.921 3.669 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(Cc2cccs2)C1=O ZINC000255470713 845946201 /nfs/dbraw/zinc/94/62/01/845946201.db2.gz BCDFSMQLUNGGTK-CQSZACIVSA-N 0 2 393.921 3.669 20 30 GHEDLN COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183054818 846236212 /nfs/dbraw/zinc/23/62/12/846236212.db2.gz RTSSSSFFGHRBRS-UHFFFAOYSA-N 0 2 380.853 3.808 20 30 GHEDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccccc1Oc1ncccc1C#N ZINC000421152997 847786966 /nfs/dbraw/zinc/78/69/66/847786966.db2.gz KRJGJKGWZKLAGS-INIZCTEOSA-N 0 2 389.477 3.548 20 30 GHEDLN CCOC(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)nc1C ZINC000515540304 851150717 /nfs/dbraw/zinc/15/07/17/851150717.db2.gz MPEPABSBIXNONU-ZDUSSCGKSA-N 0 2 398.369 3.802 20 30 GHEDLN 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30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC(C)C)cc1C ZINC000914539759 884114365 /nfs/dbraw/zinc/11/43/65/884114365.db2.gz IJQJSKPTVUZNQL-GOSISDBHSA-N 0 2 387.549 3.950 20 30 GHEDLN Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCC(C)C)cc1C ZINC000914539759 884114376 /nfs/dbraw/zinc/11/43/76/884114376.db2.gz IJQJSKPTVUZNQL-GOSISDBHSA-N 0 2 387.549 3.950 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N(CCCC(C)C)C1=O ZINC000914539749 884114564 /nfs/dbraw/zinc/11/45/64/884114564.db2.gz IFPTUUCYVGWIID-INIZCTEOSA-N 0 2 375.538 3.807 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCCC(C)C)C1=O ZINC000914539749 884114568 /nfs/dbraw/zinc/11/45/68/884114568.db2.gz IFPTUUCYVGWIID-INIZCTEOSA-N 0 2 375.538 3.807 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000914545981 884120592 /nfs/dbraw/zinc/12/05/92/884120592.db2.gz AQOIBOZSLIXPQP-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000914545981 884120611 /nfs/dbraw/zinc/12/06/11/884120611.db2.gz AQOIBOZSLIXPQP-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2C)N(Cc2ccccc2C)C1=O ZINC000914546430 884121312 /nfs/dbraw/zinc/12/13/12/884121312.db2.gz PVWLCOFIFVWPFG-IBGZPJMESA-N 0 2 395.528 3.880 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(Cc2ccccc2C)C1=O ZINC000914546430 884121317 /nfs/dbraw/zinc/12/13/17/884121317.db2.gz PVWLCOFIFVWPFG-IBGZPJMESA-N 0 2 395.528 3.880 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccc(C)o2)C1=O ZINC000914548459 884128859 /nfs/dbraw/zinc/12/88/59/884128859.db2.gz IPZZIBHMTFHWLG-LRDDRELGSA-N 0 2 389.452 3.556 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)c2ccc(C)o2)C1=O ZINC000914548459 884128861 /nfs/dbraw/zinc/12/88/61/884128861.db2.gz IPZZIBHMTFHWLG-LRDDRELGSA-N 0 2 389.452 3.556 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](C)C2CC2)C1=O ZINC000914554450 884173137 /nfs/dbraw/zinc/17/31/37/884173137.db2.gz VQKJHBQUKVPJFF-IUODEOHRSA-N 0 2 393.940 3.823 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@H](C)C2CC2)C1=O ZINC000914554450 884173144 /nfs/dbraw/zinc/17/31/44/884173144.db2.gz VQKJHBQUKVPJFF-IUODEOHRSA-N 0 2 393.940 3.823 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@H](SC)C3)cc2[nH]c1=S ZINC000117318166 884444345 /nfs/dbraw/zinc/44/43/45/884444345.db2.gz OPYCOVCPLBSCMK-KBPBESRZSA-N 0 2 389.546 3.649 20 30 GHEDLN CC(C)(C)OC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000860450567 884686916 /nfs/dbraw/zinc/68/69/16/884686916.db2.gz URFIBGAQFROAMX-ZDUSSCGKSA-N 0 2 377.404 3.795 20 30 GHEDLN CC(C)(C)OC(=O)Nc1ccc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cn1 ZINC000860450567 884686927 /nfs/dbraw/zinc/68/69/27/884686927.db2.gz URFIBGAQFROAMX-ZDUSSCGKSA-N 0 2 377.404 3.795 20 30 GHEDLN Cc1c(C(=O)[C@@H](C#N)c2ccccn2)cnn1-c1cccc(Br)c1 ZINC000106353704 885042896 /nfs/dbraw/zinc/04/28/96/885042896.db2.gz MJZVDCJXPDQHCW-HNNXBMFYSA-N 0 2 381.233 3.828 20 30 GHEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194880989 885297923 /nfs/dbraw/zinc/29/79/23/885297923.db2.gz UZTRCKSASWIGKA-LBPRGKRZSA-N 0 2 376.482 3.665 20 30 GHEDLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 ZINC000915099934 885740896 /nfs/dbraw/zinc/74/08/96/885740896.db2.gz HBQXLBJETXXWOW-JKSUJKDBSA-N 0 2 381.501 3.942 20 30 GHEDLN Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 ZINC000915099934 885740913 /nfs/dbraw/zinc/74/09/13/885740913.db2.gz HBQXLBJETXXWOW-JKSUJKDBSA-N 0 2 381.501 3.942 20 30 GHEDLN Cc1cccc(C)c1N=C1SC(CC(=O)NC2CC2)C(=O)N1CC1CCC1 ZINC000915109515 885757922 /nfs/dbraw/zinc/75/79/22/885757922.db2.gz IJUWGFDMUXCKHO-KRWDZBQOSA-N 0 2 385.533 3.704 20 30 GHEDLN Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC1CCC1 ZINC000915109515 885757941 /nfs/dbraw/zinc/75/79/41/885757941.db2.gz IJUWGFDMUXCKHO-KRWDZBQOSA-N 0 2 385.533 3.704 20 30 GHEDLN COc1cc(N=Cc2cc([N+](=O)[O-])ccc2O)ccc1NC(=O)c1cccnc1 ZINC000915113340 885796986 /nfs/dbraw/zinc/79/69/86/885796986.db2.gz UXIXPAVOUYGNTJ-UHFFFAOYSA-N 0 2 392.371 3.707 20 30 GHEDLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc(C#N)ccc2C)o1)c1ccccc1 ZINC000194958875 885994692 /nfs/dbraw/zinc/99/46/92/885994692.db2.gz NONYLNUUWUCGGT-MRXNPFEDSA-N 0 2 382.445 3.592 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCCC23CC3)C1=O ZINC000863038033 886838937 /nfs/dbraw/zinc/83/89/37/886838937.db2.gz QNODGLSOHMBNBX-NVXWUHKLSA-N 0 2 385.533 3.643 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CC2CC=CC2)C1=O ZINC000863049590 886853835 /nfs/dbraw/zinc/85/38/35/886853835.db2.gz KUMSCWYBNQFSRR-LJQANCHMSA-N 0 2 393.512 3.874 20 30 GHEDLN CC(N=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(F)(F)C1 ZINC000863100278 886875696 /nfs/dbraw/zinc/87/56/96/886875696.db2.gz PMDZTTXLRNRFQT-UHFFFAOYSA-N 0 2 386.449 3.777 20 30 GHEDLN COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(-c3ccc(C)cc3)cs2)n1C ZINC000496026696 887404681 /nfs/dbraw/zinc/40/46/81/887404681.db2.gz DHIMJHXIYZRROO-AWEZNQCLSA-N 0 2 379.441 3.734 20 30 GHEDLN COc1ccc(-c2csc(C(C#N)C(=O)Cc3ncccc3OC)n2)cc1 ZINC000810550101 888643858 /nfs/dbraw/zinc/64/38/58/888643858.db2.gz SYXCGOKNWBORIP-HNNXBMFYSA-N 0 2 379.441 3.641 20 30 GHEDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(CCC#N)Cc3ccco3)=N2)cc1 ZINC000125217940 889913674 /nfs/dbraw/zinc/91/36/74/889913674.db2.gz VMVNUTUBZHVOEZ-UHFFFAOYSA-N 0 2 378.432 3.850 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](Cc2cccnc2)C2CCCC2)n1 ZINC000870175568 890243010 /nfs/dbraw/zinc/24/30/10/890243010.db2.gz XPXUUJLXILDXMD-IRXDYDNUSA-N 0 2 397.500 3.940 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](Cc2cccnc2)C2CCCC2)n1 ZINC000870175568 890243029 /nfs/dbraw/zinc/24/30/29/890243029.db2.gz XPXUUJLXILDXMD-IRXDYDNUSA-N 0 2 397.500 3.940 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(CCCCF)C1=O ZINC000812220491 890450457 /nfs/dbraw/zinc/45/04/57/890450457.db2.gz MLKXVBQSQBFHTC-MRXNPFEDSA-N 0 2 379.501 3.627 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCCCF)C1=O ZINC000812220491 890450466 /nfs/dbraw/zinc/45/04/66/890450466.db2.gz MLKXVBQSQBFHTC-MRXNPFEDSA-N 0 2 379.501 3.627 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCCCF)C1=O ZINC000812221334 890450828 /nfs/dbraw/zinc/45/08/28/890450828.db2.gz JPFGAQQOAPIEMB-KRWDZBQOSA-N 0 2 387.480 3.657 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2CC[C@@H]2C)c1 ZINC000795179367 890925575 /nfs/dbraw/zinc/92/55/75/890925575.db2.gz WHPUUPUVCLQDED-DOPJRALCSA-N 0 2 385.533 3.648 20 30 GHEDLN CCc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CC[C@@H]2C)c1 ZINC000795179367 890925590 /nfs/dbraw/zinc/92/55/90/890925590.db2.gz WHPUUPUVCLQDED-DOPJRALCSA-N 0 2 385.533 3.648 20 30 GHEDLN O=C(CC1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)NC1CC1 ZINC000917702410 892433121 /nfs/dbraw/zinc/43/31/21/892433121.db2.gz UCALMBQNGDCGIA-SFHVURJKSA-N 0 2 379.485 3.602 20 30 GHEDLN O=C(C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(C2CC2)C1=O)NC1CC1 ZINC000917702410 892433130 /nfs/dbraw/zinc/43/31/30/892433130.db2.gz UCALMBQNGDCGIA-SFHVURJKSA-N 0 2 379.485 3.602 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(CC(C)(F)F)C1=O ZINC000814704052 893088833 /nfs/dbraw/zinc/08/88/33/893088833.db2.gz KEKVJNDJQPQXNS-AWEZNQCLSA-N 0 2 383.464 3.533 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC(C)(F)F)C1=O ZINC000814704052 893088843 /nfs/dbraw/zinc/08/88/43/893088843.db2.gz KEKVJNDJQPQXNS-AWEZNQCLSA-N 0 2 383.464 3.533 20 30 GHEDLN Cc1cccc(C)c1N=C1SC(CC(=O)NC2CC2)C(=O)N1CC[C@H](C)F ZINC000814702843 893089295 /nfs/dbraw/zinc/08/92/95/893089295.db2.gz ZBCWLGXNTREXLB-HOCLYGCPSA-N 0 2 391.512 3.652 20 30 GHEDLN Cc1cccc(C)c1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC[C@H](C)F ZINC000814702843 893089315 /nfs/dbraw/zinc/08/93/15/893089315.db2.gz ZBCWLGXNTREXLB-HOCLYGCPSA-N 0 2 391.512 3.652 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC(C)(C)C2CC2)C1=O ZINC000814704820 893092857 /nfs/dbraw/zinc/09/28/57/893092857.db2.gz ZMUOBJITEVVGDN-MRXNPFEDSA-N 0 2 391.512 3.720 20 30 GHEDLN N#C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000127871051 895154223 /nfs/dbraw/zinc/15/42/23/895154223.db2.gz MCTQUGZZIUFOKK-MFKMUULPSA-N 0 2 393.827 3.748 20 30 GHEDLN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 ZINC000041545090 896398258 /nfs/dbraw/zinc/39/82/58/896398258.db2.gz GVMRHQHGFZONAI-HNNXBMFYSA-N 0 2 381.819 3.868 20 30 GHEDLN CC(C)c1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CC3)c1 ZINC000819841244 897014635 /nfs/dbraw/zinc/01/46/35/897014635.db2.gz UARFEIKDLXUNOP-MSOLQXFVSA-N 0 2 397.544 3.963 20 30 GHEDLN CC(C)c1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H]2CC23CC3)c1 ZINC000819841244 897014652 /nfs/dbraw/zinc/01/46/52/897014652.db2.gz UARFEIKDLXUNOP-MSOLQXFVSA-N 0 2 397.544 3.963 20 30 GHEDLN Cc1ccccc1N=C1SC(CC(=O)NC2CC2)C(=O)N1C1CC2(CCC2)C1 ZINC000845221953 901918980 /nfs/dbraw/zinc/91/89/80/901918980.db2.gz WFBCJFRXBNGKHF-GOSISDBHSA-N 0 2 397.544 3.928 20 30 GHEDLN Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1C1CC2(CCC2)C1 ZINC000845221953 901918996 /nfs/dbraw/zinc/91/89/96/901918996.db2.gz WFBCJFRXBNGKHF-GOSISDBHSA-N 0 2 397.544 3.928 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(C2CC3(CCC3)C2)C1=O ZINC000845220378 901919379 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CNC(=O)CC1SC(=Nc2cccc(C)c2)N(CC(F)(F)C(C)(C)C)C1=O ZINC000853137235 878840993 /nfs/dbraw/zinc/84/09/93/878840993.db2.gz UKTGJNOWJPXVFM-CQSZACIVSA-N 0 2 397.491 3.744 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CC(F)(F)C(C)(C)C)C1=O ZINC000853137235 878840999 /nfs/dbraw/zinc/84/09/99/878840999.db2.gz UKTGJNOWJPXVFM-CQSZACIVSA-N 0 2 397.491 3.744 20 30 GHEDLN Cc1ccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@H]2C=CCC2)c(C)c1 ZINC000853143105 878843915 /nfs/dbraw/zinc/84/39/15/878843915.db2.gz MPRHRHORTRHAAX-WMZOPIPTSA-N 0 2 383.517 3.622 20 30 GHEDLN Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H]2C=CCC2)c(C)c1 ZINC000853143105 878843929 /nfs/dbraw/zinc/84/39/29/878843929.db2.gz MPRHRHORTRHAAX-WMZOPIPTSA-N 0 2 383.517 3.622 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C2CC(C)(C)C2)C1=O ZINC000853159800 878853020 /nfs/dbraw/zinc/85/30/20/878853020.db2.gz IBVSSAOCJCBIQF-AWEZNQCLSA-N 0 2 379.913 3.596 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(C2CC(C)(C)C2)C1=O ZINC000853159800 878853033 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CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CCc3ccc(C)cc32)C1=O ZINC000790761594 879958894 /nfs/dbraw/zinc/95/88/94/879958894.db2.gz VOQQREYJRGTTPA-SJORKVTESA-N 0 2 399.541 3.812 20 30 GHEDLN N#C[C@@H](C(=O)c1csc(Cc2cccc(F)c2)n1)c1nnc2n1CCCCC2 ZINC000182868310 880031698 /nfs/dbraw/zinc/03/16/98/880031698.db2.gz UQCXEGZTDTXHCA-HNNXBMFYSA-N 0 2 395.463 3.681 20 30 GHEDLN N#C[C@@H](C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)c1nccc2ccccc21 ZINC000792094082 880922528 /nfs/dbraw/zinc/92/25/28/880922528.db2.gz MSUDTCZWHIFDRY-CABCVRRESA-N 0 2 391.349 3.574 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cn(CC(C)C)nc2C(F)F)n1 ZINC000453625025 881116571 /nfs/dbraw/zinc/11/65/71/881116571.db2.gz GGKWWRHSEUDZEN-JTQLQIEISA-N 0 2 396.419 3.600 20 30 GHEDLN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(=O)[nH]c(C4CC4)c3)n2)cc1 ZINC000187492347 881212414 /nfs/dbraw/zinc/21/24/14/881212414.db2.gz YBRICKGGVPZKHQ-INIZCTEOSA-N 0 2 391.452 3.874 20 30 GHEDLN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000792588168 881284474 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CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2ccc(C)cc2)c1 ZINC000914552987 884168269 /nfs/dbraw/zinc/16/82/69/884168269.db2.gz OUIBPSPIFIJOCA-LJQANCHMSA-N 0 2 395.528 3.825 20 30 GHEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C=Cc2ccc(SC)s2)n1 ZINC000860505042 884748570 /nfs/dbraw/zinc/74/85/70/884748570.db2.gz QLLQYGLHBJEBHW-DUMNWFOQSA-N 0 2 378.500 3.993 20 30 GHEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000761892570 884932287 /nfs/dbraw/zinc/93/22/87/884932287.db2.gz WATVKFXVKOSCCI-UHFFFAOYSA-N 0 2 395.824 3.628 20 30 GHEDLN CC(C)(C)c1cnc([C@@H](C#N)C(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)s1 ZINC000860733043 884952895 /nfs/dbraw/zinc/95/28/95/884952895.db2.gz RQKBPDCKHKPLDV-CVEARBPZSA-N 0 2 381.501 3.779 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)c(C)c2)N(CCc2ccc(C)o2)C1=O ZINC000915116498 885801574 /nfs/dbraw/zinc/80/15/74/885801574.db2.gz IKUOBONLJBWKPX-GOSISDBHSA-N 0 2 399.516 3.515 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCc2ccc(C)o2)C1=O ZINC000915116498 885801586 /nfs/dbraw/zinc/80/15/86/885801586.db2.gz IKUOBONLJBWKPX-GOSISDBHSA-N 0 2 399.516 3.515 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NCc3cc4ccccc4o3)cc2[nH]c1=S ZINC000193618245 887013279 /nfs/dbraw/zinc/01/32/79/887013279.db2.gz JGTXYDWIYMYVEZ-UHFFFAOYSA-N 0 2 391.452 3.921 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H]2CCc3c2cccc3C)C1=O ZINC000729633255 887276901 /nfs/dbraw/zinc/27/69/01/887276901.db2.gz CQIJAAHSIBMNGE-MOPGFXCFSA-N 0 2 393.512 3.750 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CCc3c2cccc3C)C1=O ZINC000729633255 887276914 /nfs/dbraw/zinc/27/69/14/887276914.db2.gz CQIJAAHSIBMNGE-MOPGFXCFSA-N 0 2 393.512 3.750 20 30 GHEDLN COc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4c(cccc4C)[nH]3)cc2C)cc1 ZINC000536608165 887539109 /nfs/dbraw/zinc/53/91/09/887539109.db2.gz GHJPEQWLJDEVIS-QGZVFWFLSA-N 0 2 385.427 3.864 20 30 GHEDLN COc1ccc(-n2nc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2C)cc1 ZINC000536608165 887539118 /nfs/dbraw/zinc/53/91/18/887539118.db2.gz GHJPEQWLJDEVIS-QGZVFWFLSA-N 0 2 385.427 3.864 20 30 GHEDLN CCc1ccccc1N=C1SC(CC(=O)NC)C(=O)N1[C@H]1CCC(F)(F)C1 ZINC000763212596 888306621 /nfs/dbraw/zinc/30/66/21/888306621.db2.gz WZTVLKYMAOYJJH-ZFWWWQNUSA-N 0 2 395.475 3.504 20 30 GHEDLN CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1[C@H]1CCC(F)(F)C1 ZINC000763212596 888306637 /nfs/dbraw/zinc/30/66/37/888306637.db2.gz WZTVLKYMAOYJJH-ZFWWWQNUSA-N 0 2 395.475 3.504 20 30 GHEDLN N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001275322114 913340375 /nfs/dbraw/zinc/34/03/75/913340375.db2.gz QUZIVSUXXVVECV-IBGZPJMESA-N 0 2 396.318 3.960 20 30 GHEDLN N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001275322114 913340394 /nfs/dbraw/zinc/34/03/94/913340394.db2.gz QUZIVSUXXVVECV-IBGZPJMESA-N 0 2 396.318 3.960 20 30 GHEDLN Cc1csc(C(C#N)=C(O)C=C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000870117956 890218271 /nfs/dbraw/zinc/21/82/71/890218271.db2.gz PMKZSGXXKDNTNQ-PRQMKSPXSA-N 0 2 375.494 3.831 20 30 GHEDLN Cc1csc(C(C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC000916843657 890286391 /nfs/dbraw/zinc/28/63/91/890286391.db2.gz AKHLGJNUGCLLDJ-ZDUSSCGKSA-N 0 2 375.247 3.866 20 30 GHEDLN Cc1csc([C@@H](C#N)C(=O)C2=Cc3cc(Br)ccc3OC2)n1 ZINC000916843657 890286398 /nfs/dbraw/zinc/28/63/98/890286398.db2.gz AKHLGJNUGCLLDJ-ZDUSSCGKSA-N 0 2 375.247 3.866 20 30 GHEDLN O=S(=O)(Nc1nccs1)c1ccc(N=NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000872354487 891246420 /nfs/dbraw/zinc/24/64/20/891246420.db2.gz BWQMMIDZHSTXSN-LLVKDONJSA-N 0 2 386.449 3.777 20 30 GHEDLN N#C[C@@H](C(=O)Cc1cncn1Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813212149 891365214 /nfs/dbraw/zinc/36/52/14/891365214.db2.gz YGZOBDQPKGHMRI-QGZVFWFLSA-N 0 2 384.361 3.764 20 30 GHEDLN Cc1ccoc1CN1C(=O)C(CC(=O)NC2CC2)SC1=Nc1cccc(C)c1 ZINC000813561862 891738031 /nfs/dbraw/zinc/73/80/31/891738031.db2.gz QQOYMUQYDRIXDU-SFHVURJKSA-N 0 2 397.500 3.697 20 30 GHEDLN Cc1ccoc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(C)c1 ZINC000813561862 891738041 /nfs/dbraw/zinc/73/80/41/891738041.db2.gz QQOYMUQYDRIXDU-SFHVURJKSA-N 0 2 397.500 3.697 20 30 GHEDLN 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CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2ccccc2)cc1 ZINC000914546883 884123575 /nfs/dbraw/zinc/12/35/75/884123575.db2.gz JFQFFFDXVIKJEQ-LJQANCHMSA-N 0 2 395.528 3.559 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(CCCc2ccccc2)C1=O ZINC000914548641 884128160 /nfs/dbraw/zinc/12/81/60/884128160.db2.gz OFWPXFWVQAOKNV-LJQANCHMSA-N 0 2 395.528 3.695 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCCc2ccccc2)C1=O ZINC000914548641 884128176 /nfs/dbraw/zinc/12/81/76/884128176.db2.gz OFWPXFWVQAOKNV-LJQANCHMSA-N 0 2 395.528 3.695 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCC2CCCC2)C1=O ZINC000914548420 884128640 /nfs/dbraw/zinc/12/86/40/884128640.db2.gz HSQBHQKGMRPGHZ-KRWDZBQOSA-N 0 2 391.512 3.864 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccc(C)o2)C1=O ZINC000914548461 884128785 /nfs/dbraw/zinc/12/87/85/884128785.db2.gz IPZZIBHMTFHWLG-WBMJQRKESA-N 0 2 389.452 3.556 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)c2ccc(C)o2)C1=O ZINC000914548461 884128791 /nfs/dbraw/zinc/12/87/91/884128791.db2.gz IPZZIBHMTFHWLG-WBMJQRKESA-N 0 2 389.452 3.556 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCCC(C)C)C1=O ZINC000914548791 884130111 /nfs/dbraw/zinc/13/01/11/884130111.db2.gz RUVNHCMHTWCWOV-OAHLLOKOSA-N 0 2 381.929 3.844 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(CCC2CCCC2)C1=O ZINC000914544650 884146753 /nfs/dbraw/zinc/14/67/53/884146753.db2.gz YVGBTKBOBPAEGV-SFHVURJKSA-N 0 2 387.549 3.951 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCC2CCCC2)C1=O ZINC000914544650 884146758 /nfs/dbraw/zinc/14/67/58/884146758.db2.gz YVGBTKBOBPAEGV-SFHVURJKSA-N 0 2 387.549 3.951 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000914553410 884167808 /nfs/dbraw/zinc/16/78/08/884167808.db2.gz AKLRWHXJKOLMTP-IBGZPJMESA-N 0 2 395.528 3.825 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000914553410 884167815 /nfs/dbraw/zinc/16/78/15/884167815.db2.gz AKLRWHXJKOLMTP-IBGZPJMESA-N 0 2 395.528 3.825 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)n1 ZINC000860503982 884747417 /nfs/dbraw/zinc/74/74/17/884747417.db2.gz CRCJAXZMQBBZOZ-AVRGHOLYSA-N 0 2 386.860 3.735 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cnn(CC)c2-c2ccccc2)n1 ZINC000495202444 884798752 /nfs/dbraw/zinc/79/87/52/884798752.db2.gz NTTHZSCTKRHRSB-AWEZNQCLSA-N 0 2 394.456 3.693 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnn(CC)c2-c2ccccc2)n1 ZINC000495202444 884798760 /nfs/dbraw/zinc/79/87/60/884798760.db2.gz NTTHZSCTKRHRSB-AWEZNQCLSA-N 0 2 394.456 3.693 20 30 GHEDLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 ZINC000915099932 885741278 /nfs/dbraw/zinc/74/12/78/885741278.db2.gz HBQXLBJETXXWOW-HOTGVXAUSA-N 0 2 381.501 3.942 20 30 GHEDLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)n2)cc1 ZINC000915099932 885741284 /nfs/dbraw/zinc/74/12/84/885741284.db2.gz HBQXLBJETXXWOW-HOTGVXAUSA-N 0 2 381.501 3.942 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807927893 885861949 /nfs/dbraw/zinc/86/19/49/885861949.db2.gz BPROVYHZUIQQNR-KBPBESRZSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807927893 885861962 /nfs/dbraw/zinc/86/19/62/885861962.db2.gz BPROVYHZUIQQNR-KBPBESRZSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCC2(F)CCC2)C1=O ZINC000807934154 885871104 /nfs/dbraw/zinc/87/11/04/885871104.db2.gz IEEONWOKEDPWTB-AWEZNQCLSA-N 0 2 397.903 3.690 20 30 GHEDLN CC(C)(C)[C@H]1CCC1N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000807975127 885930241 /nfs/dbraw/zinc/93/02/41/885930241.db2.gz HBGHKZSTIMUMEJ-ZDUSSCGKSA-N 0 2 379.511 3.563 20 30 GHEDLN N#C[C@H](C(=O)c1csc(Cc2ccccc2F)n1)c1nnc2n1CCCCC2 ZINC000118143587 886163603 /nfs/dbraw/zinc/16/36/03/886163603.db2.gz WMNAZWIVOCQJKQ-CQSZACIVSA-N 0 2 395.463 3.681 20 30 GHEDLN Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2NC(=O)OC(C)(C)C)c(C)o1 ZINC000863447039 887117410 /nfs/dbraw/zinc/11/74/10/887117410.db2.gz GCHGPJFWKSYVJV-UHFFFAOYSA-N 0 2 391.449 3.916 20 30 GHEDLN O=C(CC1S/C(=N/CCC2CC2)NC1=O)Nc1ccc(SC(F)F)cc1 ZINC000864345160 887720544 /nfs/dbraw/zinc/72/05/44/887720544.db2.gz PYRWOWSCVMCDEO-ZDUSSCGKSA-N 0 2 399.488 3.718 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)Nc2nc3c(cc(Cl)cc3Cl)[nH]2)cc1C#N ZINC001131903599 887893575 /nfs/dbraw/zinc/89/35/75/887893575.db2.gz KJCYLAVIVHQWGX-UHFFFAOYSA-N 0 2 394.243 3.816 20 30 GHEDLN C[NH+](C)Cc1cnc(/C=C\C(=O)c2cc(Br)cc(F)c2[O-])s1 ZINC000794713163 887961316 /nfs/dbraw/zinc/96/13/16/887961316.db2.gz QWQXRNASGJQHGL-ARJAWSKDSA-N 0 2 385.258 3.708 20 30 GHEDLN O=S(=O)(Nc1nccs1)c1ccc(N=NC2CCC[C@@H]2CCF)cc1 ZINC000794913889 888847312 /nfs/dbraw/zinc/84/73/12/888847312.db2.gz ALXZOTLBXLCZNM-GFCCVEGCSA-N 0 2 382.486 3.872 20 30 GHEDLN CC(C)c1csc([C@H](C#N)C(=O)CCNC(=O)c2cc3ccccc3[nH]2)n1 ZINC000870224387 890269021 /nfs/dbraw/zinc/26/90/21/890269021.db2.gz FCRFWYOYTGEHQS-CQSZACIVSA-N 0 2 380.473 3.744 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCCCF)c1 ZINC000812221005 890450857 /nfs/dbraw/zinc/45/08/57/890450857.db2.gz CACZWNVSQLKEQF-KRWDZBQOSA-N 0 2 391.512 3.599 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCCF)c1 ZINC000812221005 890450862 /nfs/dbraw/zinc/45/08/62/890450862.db2.gz CACZWNVSQLKEQF-KRWDZBQOSA-N 0 2 391.512 3.599 20 30 GHEDLN CC(C)(CC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)C(F)(F)F ZINC000870769606 890501366 /nfs/dbraw/zinc/50/13/66/890501366.db2.gz JIGWSEFFRPJQDA-UHFFFAOYSA-N 0 2 388.283 3.921 20 30 GHEDLN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000065654587 890583332 /nfs/dbraw/zinc/58/33/32/890583332.db2.gz JDKMFAJPDXUSCI-UHFFFAOYSA-N 0 2 383.411 3.855 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CC[C@H]2C)C1=O ZINC000795170628 890755817 /nfs/dbraw/zinc/75/58/17/890755817.db2.gz BHTRGZNJEIDZGB-HONMWMINSA-N 0 2 399.438 3.572 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C(F)(F)F)c2)N([C@@H]2CC[C@H]2C)C1=O ZINC000795170628 890755828 /nfs/dbraw/zinc/75/58/28/890755828.db2.gz BHTRGZNJEIDZGB-HONMWMINSA-N 0 2 399.438 3.572 20 30 GHEDLN N#CC(C(=O)Cc1cnn(-c2ccccc2)n1)c1nc2cc(Cl)ccc2s1 ZINC000917046962 890770410 /nfs/dbraw/zinc/77/04/10/890770410.db2.gz ZDVJQNHILKJETJ-HNNXBMFYSA-N 0 2 393.859 3.949 20 30 GHEDLN CCCCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H]2CC[C@@H]2C)cc1 ZINC000795176896 890839261 /nfs/dbraw/zinc/83/92/61/890839261.db2.gz JNOHPVXPNMKQFH-BMGDILEWSA-N 0 2 387.549 3.895 20 30 GHEDLN CCCCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H]2CC[C@@H]2C)cc1 ZINC000795176896 890839272 /nfs/dbraw/zinc/83/92/72/890839272.db2.gz JNOHPVXPNMKQFH-BMGDILEWSA-N 0 2 387.549 3.895 20 30 GHEDLN N#CC(C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813212677 891366431 /nfs/dbraw/zinc/36/64/31/891366431.db2.gz FGUBSOVMWFWXGZ-DZGCQCFKSA-N 0 2 391.349 3.565 20 30 GHEDLN N#CC(C(=O)CCn1cc(Br)cn1)c1nc2ccccc2s1 ZINC000917420192 891970966 /nfs/dbraw/zinc/97/09/66/891970966.db2.gz LXLYHUAHBRMPDJ-LLVKDONJSA-N 0 2 375.251 3.522 20 30 GHEDLN N#C[C@H](C(=O)CCn1cc(Br)cn1)c1nc2ccccc2s1 ZINC000917420192 891970979 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N#C[C@H](C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1nc2cc(Cl)ccc2s1 ZINC000105759435 875419215 /nfs/dbraw/zinc/41/92/15/875419215.db2.gz DPLWUJIQEOIKNQ-GXTWGEPZSA-N 0 2 387.892 3.775 20 30 GHEDLN N#CC(C(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21)c1cnc2ccccc2n1 ZINC000528999290 875425539 /nfs/dbraw/zinc/42/55/39/875425539.db2.gz LBFRMYUQBQHQLB-NWDGAFQWSA-N 0 2 385.349 3.599 20 30 GHEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000491609492 875864970 /nfs/dbraw/zinc/86/49/70/875864970.db2.gz IAXOQXREPQJKGY-UHFFFAOYSA-N 0 2 390.179 3.713 20 30 GHEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)n1 ZINC000850737359 877131391 /nfs/dbraw/zinc/13/13/91/877131391.db2.gz UHLDOCGNRJXECZ-CBGDNZLLSA-N 0 2 395.484 3.677 20 30 GHEDLN N#CC(C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)c1nc2cc(Cl)ccc2s1 ZINC000850770873 877160228 /nfs/dbraw/zinc/16/02/28/877160228.db2.gz CVSZHKVPDAHFHV-DGAVXFQQSA-N 0 2 387.892 3.821 20 30 GHEDLN N#C[C@H](C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12)c1nc2cc(Cl)ccc2s1 ZINC000850770873 877160232 /nfs/dbraw/zinc/16/02/32/877160232.db2.gz CVSZHKVPDAHFHV-DGAVXFQQSA-N 0 2 387.892 3.821 20 30 GHEDLN N#CC(C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)c1nc2cc(Cl)ccc2s1 ZINC000850770872 877160337 /nfs/dbraw/zinc/16/03/37/877160337.db2.gz CVSZHKVPDAHFHV-AAVRWANBSA-N 0 2 387.892 3.821 20 30 GHEDLN N#C[C@H](C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21)c1nc2cc(Cl)ccc2s1 ZINC000850770872 877160340 /nfs/dbraw/zinc/16/03/40/877160340.db2.gz CVSZHKVPDAHFHV-AAVRWANBSA-N 0 2 387.892 3.821 20 30 GHEDLN CC(C)(C)Oc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1C#N ZINC000451087634 877349098 /nfs/dbraw/zinc/34/90/98/877349098.db2.gz PGDASTIEEDSBIV-UHFFFAOYSA-N 0 2 399.394 3.950 20 30 GHEDLN CCCCN(CC)c1ccc(C(O)=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000179978185 878290215 /nfs/dbraw/zinc/29/02/15/878290215.db2.gz CXGBOUOAEMETHF-NRFANRHFSA-N 0 2 377.488 3.952 20 30 GHEDLN Cc1cccc(C)c1N=C1SC(CC(=O)NC2CC2)C(=O)N1[C@H]1C=CCC1 ZINC000853122123 878830890 /nfs/dbraw/zinc/83/08/90/878830890.db2.gz FXCHAUIJMCEGEU-DLBZAZTESA-N 0 2 383.517 3.622 20 30 GHEDLN Cc1cccc(C)c1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1C=CCC1 ZINC000853122123 878830897 /nfs/dbraw/zinc/83/08/97/878830897.db2.gz FXCHAUIJMCEGEU-DLBZAZTESA-N 0 2 383.517 3.622 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N(CCCc2ccco2)C1=O ZINC000853143809 878845489 /nfs/dbraw/zinc/84/54/89/878845489.db2.gz ZMYMPEWVHOPFOV-SFHVURJKSA-N 0 2 399.516 3.597 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCCc2ccco2)C1=O ZINC000853143809 878845498 /nfs/dbraw/zinc/84/54/98/878845498.db2.gz ZMYMPEWVHOPFOV-SFHVURJKSA-N 0 2 399.516 3.597 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2[C@@H]2C=CCC2)c1 ZINC000853193084 878884664 /nfs/dbraw/zinc/88/46/64/878884664.db2.gz COXWKZXDEGBORX-MSOLQXFVSA-N 0 2 383.517 3.568 20 30 GHEDLN CCc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H]2C=CCC2)c1 ZINC000853193084 878884674 /nfs/dbraw/zinc/88/46/74/878884674.db2.gz COXWKZXDEGBORX-MSOLQXFVSA-N 0 2 383.517 3.568 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N([C@@H]2CCc3ccc(C)cc32)C1=O ZINC000790761589 879959161 /nfs/dbraw/zinc/95/91/61/879959161.db2.gz VOQQREYJRGTTPA-IAGOWNOFSA-N 0 2 399.541 3.812 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H]2CCc3ccc(C)cc32)C1=O ZINC000790761589 879959172 /nfs/dbraw/zinc/95/91/72/879959172.db2.gz VOQQREYJRGTTPA-IAGOWNOFSA-N 0 2 399.541 3.812 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(Cc2cc3ccccc3o2)C1=O ZINC000790746983 879979376 /nfs/dbraw/zinc/97/93/76/879979376.db2.gz NIALOIKCOCUYOH-MRXNPFEDSA-N 0 2 399.497 3.762 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cc3ccccc3o2)C1=O ZINC000790746983 879979386 /nfs/dbraw/zinc/97/93/86/879979386.db2.gz NIALOIKCOCUYOH-MRXNPFEDSA-N 0 2 399.497 3.762 20 30 GHEDLN N#CC(C(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1nccc2ccccc21 ZINC000792096732 880925642 /nfs/dbraw/zinc/92/56/42/880925642.db2.gz QHIQQLNFFMMYSE-SIKLNZKXSA-N 0 2 389.430 3.624 20 30 GHEDLN N#C[C@H](C(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1nccc2ccccc21 ZINC000792096732 880925652 /nfs/dbraw/zinc/92/56/52/880925652.db2.gz QHIQQLNFFMMYSE-SIKLNZKXSA-N 0 2 389.430 3.624 20 30 GHEDLN Cc1c(Br)scc1C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 ZINC000187225818 881109844 /nfs/dbraw/zinc/10/98/44/881109844.db2.gz XJHPHIADYDCUPX-SNVBAGLBSA-N 0 2 379.283 3.627 20 30 GHEDLN COC(=O)c1c(C)c(N=Cc2cc([N+](=O)[O-])ccc2O)ccc1Br ZINC000792570849 881221519 /nfs/dbraw/zinc/22/15/19/881221519.db2.gz SXVDYJPJGVNSHN-UHFFFAOYSA-N 0 2 393.193 3.909 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)c(C)c2)C1=O ZINC000914547633 884127122 /nfs/dbraw/zinc/12/71/22/884127122.db2.gz QKKOLVQQIUOJBS-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(Cc2ccc(F)c(C)c2)C1=O ZINC000914547633 884127134 /nfs/dbraw/zinc/12/71/34/884127134.db2.gz QKKOLVQQIUOJBS-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CCc1cccc(N=C2SC(CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000914553411 884168006 /nfs/dbraw/zinc/16/80/06/884168006.db2.gz AKLRWHXJKOLMTP-LJQANCHMSA-N 0 2 395.528 3.825 20 30 GHEDLN CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cccc(C)c2)c1 ZINC000914553411 884168010 /nfs/dbraw/zinc/16/80/10/884168010.db2.gz AKLRWHXJKOLMTP-LJQANCHMSA-N 0 2 395.528 3.825 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]23)n1 ZINC000860503985 884747529 /nfs/dbraw/zinc/74/75/29/884747529.db2.gz CRCJAXZMQBBZOZ-UAXWRAGISA-N 0 2 386.860 3.735 20 30 GHEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n1 ZINC000860580526 884822423 /nfs/dbraw/zinc/82/24/23/884822423.db2.gz CEPOOPNUNMIZAK-DGCLKSJQSA-N 0 2 389.427 3.774 20 30 GHEDLN CC(C)c1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n1 ZINC000860580526 884822591 /nfs/dbraw/zinc/82/25/91/884822591.db2.gz CEPOOPNUNMIZAK-DGCLKSJQSA-N 0 2 389.427 3.774 20 30 GHEDLN Cc1nc(NS(=O)(=O)c2c(F)cccc2Cl)sc1SCC#N ZINC000153450752 885613497 /nfs/dbraw/zinc/61/34/97/885613497.db2.gz RXJJVCIXGSWLAO-UHFFFAOYSA-N 0 2 377.875 3.661 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N([C@@H]2CCCC2(F)F)C1=O ZINC000807927896 885861466 /nfs/dbraw/zinc/86/14/66/885861466.db2.gz BPROVYHZUIQQNR-ZIAGYGMSSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@@H]2CCCC2(F)F)C1=O ZINC000807927896 885861480 /nfs/dbraw/zinc/86/14/80/885861480.db2.gz BPROVYHZUIQQNR-ZIAGYGMSSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(CCC2(F)CCC2)C1=O ZINC000807928911 885861877 /nfs/dbraw/zinc/86/18/77/885861877.db2.gz JXTGYJZDSRGUIL-MRXNPFEDSA-N 0 2 391.512 3.653 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CCC2(F)CCC2)C1=O ZINC000807928911 885861884 /nfs/dbraw/zinc/86/18/84/885861884.db2.gz JXTGYJZDSRGUIL-MRXNPFEDSA-N 0 2 391.512 3.653 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N([C@@H]2CCC2(C)C)C1=O ZINC000807933530 885868828 /nfs/dbraw/zinc/86/88/28/885868828.db2.gz BWHNGNJPHADNPC-UONOGXRCSA-N 0 2 379.913 3.596 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H]2CCC2(C)C)C1=O ZINC000807933530 885868860 /nfs/dbraw/zinc/86/88/60/885868860.db2.gz BWHNGNJPHADNPC-UONOGXRCSA-N 0 2 379.913 3.596 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(Cc3ccco3)C(C)C)cc2[nH]c1=S ZINC000763232506 888375888 /nfs/dbraw/zinc/37/58/88/888375888.db2.gz YJWIXYLSCUVUDE-UHFFFAOYSA-N 0 2 383.473 3.515 20 30 GHEDLN N#CC(C(=O)COc1cc(F)cc(F)c1)c1nc2ccccc2n1C(F)F ZINC000810537437 888576872 /nfs/dbraw/zinc/57/68/72/888576872.db2.gz SVOYRLXGPIBMQI-ZDUSSCGKSA-N 0 2 377.297 3.965 20 30 GHEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000122507769 889860107 /nfs/dbraw/zinc/86/01/07/889860107.db2.gz JXIQZOPTCYFHKW-NRFANRHFSA-N 0 2 385.467 3.803 20 30 GHEDLN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCC1CC2(CCC2)C1 ZINC000869319267 889881075 /nfs/dbraw/zinc/88/10/75/889881075.db2.gz ICHYHFRPVXQUSI-UHFFFAOYSA-N 0 2 386.395 3.893 20 30 GHEDLN CCc1ccc(-c2csc(NS(=O)(=O)c3cncc(C#N)c3)n2)s1 ZINC000811822343 890037104 /nfs/dbraw/zinc/03/71/04/890037104.db2.gz FICXVHZDZQLMEE-UHFFFAOYSA-N 0 2 376.488 3.501 20 30 GHEDLN N#Cc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)cs1 ZINC001184786137 913433077 /nfs/dbraw/zinc/43/30/77/913433077.db2.gz FQEUMRGRSPTDSU-UHFFFAOYSA-N 0 2 377.672 3.836 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCCCF)c1C ZINC000812221020 890448841 /nfs/dbraw/zinc/44/88/41/890448841.db2.gz CMANPHUTSMJUQT-QGZVFWFLSA-N 0 2 391.512 3.653 20 30 GHEDLN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCCF)c1C ZINC000812221020 890448851 /nfs/dbraw/zinc/44/88/51/890448851.db2.gz CMANPHUTSMJUQT-QGZVFWFLSA-N 0 2 391.512 3.653 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CCCCF)C1=O ZINC000812221904 890450528 /nfs/dbraw/zinc/45/05/28/890450528.db2.gz PQXSXFLYYMMGHA-INIZCTEOSA-N 0 2 379.501 3.627 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CCCCF)C1=O ZINC000812221907 890450654 /nfs/dbraw/zinc/45/06/54/890450654.db2.gz PQXSXFLYYMMGHA-MRXNPFEDSA-N 0 2 379.501 3.627 20 30 GHEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C=Cc2ccc3ccccc3n2)n1 ZINC000747807219 890905064 /nfs/dbraw/zinc/90/50/64/890905064.db2.gz PPGKUQXDJBJVCR-BOLDSZDNSA-N 0 2 377.425 3.758 20 30 GHEDLN CCOC(=O)c1csc(C(C#N)C(=O)C=Cc2ccc3ccccc3n2)n1 ZINC000747807219 890905075 /nfs/dbraw/zinc/90/50/75/890905075.db2.gz PPGKUQXDJBJVCR-BOLDSZDNSA-N 0 2 377.425 3.758 20 30 GHEDLN N#CCCCOc1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000288164893 913679021 /nfs/dbraw/zinc/67/90/21/913679021.db2.gz CZMMMJSDJUJJDD-UHFFFAOYSA-N 0 2 385.367 3.584 20 30 GHEDLN CCc1ccccc1N=C1SC(CC(=O)NC2CC2)C(=O)N1CC(C)(F)F ZINC000814706981 893094266 /nfs/dbraw/zinc/09/42/66/893094266.db2.gz PWRRZYFTFUHVIN-HNNXBMFYSA-N 0 2 395.475 3.504 20 30 GHEDLN CCc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(C)(F)F ZINC000814706981 893094286 /nfs/dbraw/zinc/09/42/86/893094286.db2.gz PWRRZYFTFUHVIN-HNNXBMFYSA-N 0 2 395.475 3.504 20 30 GHEDLN C=CCC(F)(F)C(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000815730764 894181699 /nfs/dbraw/zinc/18/16/99/894181699.db2.gz PTTOJYNWWFCNGF-GFCCVEGCSA-N 0 2 391.258 3.783 20 30 GHEDLN Cc1c(C(=O)C(C#N)c2cnc3ccccc3n2)cnn1-c1ccc(F)cc1F ZINC000565456674 895642529 /nfs/dbraw/zinc/64/25/29/895642529.db2.gz BGJCYYPSHKGMCP-CQSZACIVSA-N 0 2 389.365 3.892 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H]2CC23CC3)C1=O ZINC000819843427 897016872 /nfs/dbraw/zinc/01/68/72/897016872.db2.gz ZYMHUALQHRHQGL-UONOGXRCSA-N 0 2 391.924 3.577 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2c(C)cc(C)cc2Cl)N([C@@H]2CC23CC3)C1=O ZINC000819843427 897016883 /nfs/dbraw/zinc/01/68/83/897016883.db2.gz ZYMHUALQHRHQGL-UONOGXRCSA-N 0 2 391.924 3.577 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N(C2CC3(CCC3)C2)C1=O ZINC000845218148 901948667 /nfs/dbraw/zinc/94/86/67/901948667.db2.gz TZANLLVLIGYHSR-MRXNPFEDSA-N 0 2 385.533 3.704 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(C2CC3(CCC3)C2)C1=O ZINC000845218148 901948677 /nfs/dbraw/zinc/94/86/77/901948677.db2.gz TZANLLVLIGYHSR-MRXNPFEDSA-N 0 2 385.533 3.704 20 30 GHEDLN Cc1ccc(C)c(/N=C2\SC(CC(=O)NC3CC3)C(=O)N2CCCCC#N)c1 ZINC000264076816 902828138 /nfs/dbraw/zinc/82/81/38/902828138.db2.gz SVTJHSCJVIOWEY-YQMDHOPXSA-N 0 2 398.532 3.598 20 30 GHEDLN Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCCC#N)c1 ZINC000264076816 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Cn1ncc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c1C(F)(F)F ZINC000613404925 836298771 /nfs/dbraw/zinc/29/87/71/836298771.db2.gz WPOFKGGAOMABAZ-QMMMGPOBSA-N 0 2 383.280 3.674 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2C)N(C2CCCC2)C1=O ZINC000255101418 837835599 /nfs/dbraw/zinc/83/55/99/837835599.db2.gz DUKOGDUKFKTKMV-HNNXBMFYSA-N 0 2 379.913 3.659 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(C2CCCC2)C1=O ZINC000255101418 837835604 /nfs/dbraw/zinc/83/56/04/837835604.db2.gz DUKOGDUKFKTKMV-HNNXBMFYSA-N 0 2 379.913 3.659 20 30 GHEDLN N#CC(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000178257256 838310015 /nfs/dbraw/zinc/31/00/15/838310015.db2.gz MASAJCJKAIHAPW-LBPRGKRZSA-N 0 2 386.161 3.989 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O ZINC000255139505 838431230 /nfs/dbraw/zinc/43/12/30/838431230.db2.gz CISLVWIDNWARGT-MRXNPFEDSA-N 0 2 387.892 3.608 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccc(Cl)c2)C1=O ZINC000255139505 838431233 /nfs/dbraw/zinc/43/12/33/838431233.db2.gz CISLVWIDNWARGT-MRXNPFEDSA-N 0 2 387.892 3.608 20 30 GHEDLN N#Cc1cncc(S(=O)(=O)Nc2cccnc2Nc2ccc(Cl)cc2)c1 ZINC000565687699 839294656 /nfs/dbraw/zinc/29/46/56/839294656.db2.gz NNILDMLLDUHULF-UHFFFAOYSA-N 0 2 385.836 3.546 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2ccsc2)C1=O ZINC000255198649 839443175 /nfs/dbraw/zinc/44/31/75/839443175.db2.gz HASIIIUNXANXAD-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2ccsc2)C1=O ZINC000255198649 839443183 /nfs/dbraw/zinc/44/31/83/839443183.db2.gz HASIIIUNXANXAD-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(C(=O)N3CCCC3)n2)s1 ZINC000430586748 841260373 /nfs/dbraw/zinc/26/03/73/841260373.db2.gz XGZDKVXDNRKRGK-CYBMUJFWSA-N 0 2 382.489 3.562 20 30 GHEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(C(=O)N3CCCC3)n2)s1 ZINC000430586748 841260380 /nfs/dbraw/zinc/26/03/80/841260380.db2.gz XGZDKVXDNRKRGK-CYBMUJFWSA-N 0 2 382.489 3.562 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccc(F)c2)C1=O ZINC000255300242 841347519 /nfs/dbraw/zinc/34/75/19/841347519.db2.gz MNRIGMDOJIXUAD-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cccc(F)c2)C1=O ZINC000255300242 841347533 /nfs/dbraw/zinc/34/75/33/841347533.db2.gz MNRIGMDOJIXUAD-GOSISDBHSA-N 0 2 399.491 3.710 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(Cl)s3)cc2[nH]c1=S ZINC000025522461 841815860 /nfs/dbraw/zinc/81/58/60/841815860.db2.gz DNJAEFJAKJQSIZ-UHFFFAOYSA-N 0 2 391.905 3.516 20 30 GHEDLN N#CC(C(=O)c1cc2c(s1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392340 842493353 /nfs/dbraw/zinc/49/33/53/842493353.db2.gz QBLKVGKJSIRANO-CQSZACIVSA-N 0 2 390.472 3.628 20 30 GHEDLN N#C[C@H](C(=O)c1cc2c(s1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392340 842493361 /nfs/dbraw/zinc/49/33/61/842493361.db2.gz QBLKVGKJSIRANO-CQSZACIVSA-N 0 2 390.472 3.628 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnn(C3CCCC3)c2CC)n1 ZINC000474972553 861634564 /nfs/dbraw/zinc/63/45/64/861634564.db2.gz TWEPBIMQKUGEGO-ZDUSSCGKSA-N 0 2 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/nfs/dbraw/zinc/38/79/54/879387954.db2.gz FAZDGBPZLSODKU-GTTSAUCSSA-N 0 2 391.924 3.657 20 30 GHEDLN Cc1c(Cl)cccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1C[C@H]1C ZINC000790001051 879387969 /nfs/dbraw/zinc/38/79/69/879387969.db2.gz FAZDGBPZLSODKU-GTTSAUCSSA-N 0 2 391.924 3.657 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3C[C@H]3C3CCCCC3)cc2[nH]c1=S ZINC000152713738 879608237 /nfs/dbraw/zinc/60/82/37/879608237.db2.gz QXUHVVZRKJMPBL-WMZOPIPTSA-N 0 2 383.517 3.944 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCC=C(C)C)C1=O ZINC000790697658 879933547 /nfs/dbraw/zinc/93/35/47/879933547.db2.gz RGUDNGPHYVOTLA-MRXNPFEDSA-N 0 2 377.485 3.558 20 30 GHEDLN O=C(CC1SC(=Nc2ccsc2)N([C@@H]2CCC(F)(F)C2)C1=O)NC1CC1 ZINC000790750091 879981035 /nfs/dbraw/zinc/98/10/35/879981035.db2.gz NGNOESDMWFNIJZ-OLZOCXBDSA-N 0 2 399.488 3.536 20 30 GHEDLN O=C(C[C@@H]1SC(=Nc2ccsc2)N([C@@H]2CCC(F)(F)C2)C1=O)NC1CC1 ZINC000790750091 879981045 /nfs/dbraw/zinc/98/10/45/879981045.db2.gz NGNOESDMWFNIJZ-OLZOCXBDSA-N 0 2 399.488 3.536 20 30 GHEDLN Cc1csc(C(C#N)C(=O)c2cnn(-c3ccccc3)c2Br)n1 ZINC000791761519 880691036 /nfs/dbraw/zinc/69/10/36/880691036.db2.gz CSEOYAQOPMBDEG-GFCCVEGCSA-N 0 2 387.262 3.890 20 30 GHEDLN N#CC(C(=O)COc1ccc(N2CCCC2=O)cc1)c1nccc2ccccc21 ZINC000792106460 880900221 /nfs/dbraw/zinc/90/02/21/880900221.db2.gz QZZZAEKRSQVVRL-HXUWFJFHSA-N 0 2 385.423 3.617 20 30 GHEDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000609378943 883123523 /nfs/dbraw/zinc/12/35/23/883123523.db2.gz KZPJLPYSNYXBAX-ZDUSSCGKSA-N 0 2 392.502 3.756 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(C)(C)C)cc2[nH]c1=S ZINC000747216894 883379999 /nfs/dbraw/zinc/37/99/99/883379999.db2.gz CGKKBYBULVJDQM-OAHLLOKOSA-N 0 2 385.533 3.912 20 30 GHEDLN Cc1c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1F ZINC000152626407 883794608 /nfs/dbraw/zinc/79/46/08/883794608.db2.gz WFHQXOJBQVWCQC-UHFFFAOYSA-N 0 2 390.827 3.646 20 30 GHEDLN O=C(CC1SC(=Nc2cccc3ccccc32)N(C2CC2)C1=O)NC1CC1 ZINC000914538746 884111092 /nfs/dbraw/zinc/11/10/92/884111092.db2.gz WFTRYAFDFJZXBZ-GOSISDBHSA-N 0 2 379.485 3.602 20 30 GHEDLN O=C(C[C@H]1SC(=Nc2cccc3ccccc32)N(C2CC2)C1=O)NC1CC1 ZINC000914538746 884111098 /nfs/dbraw/zinc/11/10/98/884111098.db2.gz WFTRYAFDFJZXBZ-GOSISDBHSA-N 0 2 379.485 3.602 20 30 GHEDLN Cc1ccccc1N=C1SC(CC(=O)NC2CC2)C(=O)N1Cc1ccccc1 ZINC000914539497 884112477 /nfs/dbraw/zinc/11/24/77/884112477.db2.gz CXCNRGBZDARFNZ-LJQANCHMSA-N 0 2 393.512 3.795 20 30 GHEDLN Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccccc1 ZINC000914539497 884112487 /nfs/dbraw/zinc/11/24/87/884112487.db2.gz CXCNRGBZDARFNZ-LJQANCHMSA-N 0 2 393.512 3.795 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(C[C@H](C)c2ccccc2)C1=O ZINC000914546288 884120874 /nfs/dbraw/zinc/12/08/74/884120874.db2.gz FLYOLRJRBQMRMB-QFBILLFUSA-N 0 2 395.528 3.866 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(C[C@H](C)c2ccccc2)C1=O ZINC000914546288 884120881 /nfs/dbraw/zinc/12/08/81/884120881.db2.gz FLYOLRJRBQMRMB-QFBILLFUSA-N 0 2 395.528 3.866 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N(CCCC(C)C)C1=O ZINC000914546632 884122847 /nfs/dbraw/zinc/12/28/47/884122847.db2.gz QNXFKAGXLHZPFW-KRWDZBQOSA-N 0 2 375.538 3.807 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CCCC(C)C)C1=O ZINC000914546632 884122868 /nfs/dbraw/zinc/12/28/68/884122868.db2.gz QNXFKAGXLHZPFW-KRWDZBQOSA-N 0 2 375.538 3.807 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N([C@H](C)CCc2ccco2)C1=O ZINC000914540661 884140199 /nfs/dbraw/zinc/14/01/99/884140199.db2.gz AZUDJVJTPZPISV-QAPCUYQASA-N 0 2 399.516 3.677 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)CCc2ccco2)C1=O ZINC000914540661 884140209 /nfs/dbraw/zinc/14/02/09/884140209.db2.gz AZUDJVJTPZPISV-QAPCUYQASA-N 0 2 399.516 3.677 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(C[C@H](C)c2ccccc2)C1=O ZINC000914541423 884142178 /nfs/dbraw/zinc/14/21/78/884142178.db2.gz SMXPJOFFDNKYAG-KSSFIOAISA-N 0 2 399.491 3.697 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(C[C@H](C)c2ccccc2)C1=O ZINC000914541423 884142186 /nfs/dbraw/zinc/14/21/86/884142186.db2.gz SMXPJOFFDNKYAG-KSSFIOAISA-N 0 2 399.491 3.697 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)C3CCC(F)(F)CC3)cc2[nH]c1=S ZINC000807877445 885841917 /nfs/dbraw/zinc/84/19/17/885841917.db2.gz QYSUWBZVFNBMRG-UHFFFAOYSA-N 0 2 393.459 3.521 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N(CCSC(C)C)C1=O ZINC000807929227 885865891 /nfs/dbraw/zinc/86/58/91/885865891.db2.gz STZLETMZJIWBSP-OAHLLOKOSA-N 0 2 393.578 3.513 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCSC(C)C)C1=O ZINC000807929227 885865907 /nfs/dbraw/zinc/86/59/07/885865907.db2.gz STZLETMZJIWBSP-OAHLLOKOSA-N 0 2 393.578 3.513 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N([C@@H]2CCCC2(F)F)C1=O ZINC000807931517 885869725 /nfs/dbraw/zinc/86/97/25/885869725.db2.gz TWGSIZVPBJBXKO-HUUCEWRRSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N([C@@H]2CCCC2(F)F)C1=O ZINC000807931517 885869739 /nfs/dbraw/zinc/86/97/39/885869739.db2.gz TWGSIZVPBJBXKO-HUUCEWRRSA-N 0 2 395.475 3.559 20 30 GHEDLN C=CCOc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC=C)c3=O)c1 ZINC000919837611 886520629 /nfs/dbraw/zinc/52/06/29/886520629.db2.gz HEMAYRSXKPWQRS-UHFFFAOYSA-N 0 2 393.468 3.688 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CC2CC=CC2)c1 ZINC000863038225 886838486 /nfs/dbraw/zinc/83/84/86/886838486.db2.gz QLPFFZXSXGNBHY-GOSISDBHSA-N 0 2 383.517 3.561 20 30 GHEDLN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC2CC=CC2)c1 ZINC000863038225 886838493 /nfs/dbraw/zinc/83/84/93/886838493.db2.gz QLPFFZXSXGNBHY-GOSISDBHSA-N 0 2 383.517 3.561 20 30 GHEDLN CCC(CC)/N=C1/NC(=O)C(CC(=O)Nc2ccccc2C(F)(F)F)S1 ZINC000864344707 887720684 /nfs/dbraw/zinc/72/06/84/887720684.db2.gz FLFJXMGUJZLWGM-CYBMUJFWSA-N 0 2 387.427 3.810 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(C)c2C)N([C@@H]2CCC(F)(F)C2)C1=O ZINC000763205256 888285575 /nfs/dbraw/zinc/28/55/75/888285575.db2.gz NGPAZJDDWWKCNZ-HIFRSBDPSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N([C@@H]2CCC(F)(F)C2)C1=O ZINC000763205256 888285589 /nfs/dbraw/zinc/28/55/89/888285589.db2.gz NGPAZJDDWWKCNZ-HIFRSBDPSA-N 0 2 395.475 3.559 20 30 GHEDLN N#C[C@@H](C(=O)CCCNC(=O)c1cccnc1)c1nc2cc(Cl)ccc2s1 ZINC000122033947 889315268 /nfs/dbraw/zinc/31/52/68/889315268.db2.gz SRJFQMICHKQAJY-AWEZNQCLSA-N 0 2 398.875 3.731 20 30 GHEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000123150579 890368825 /nfs/dbraw/zinc/36/88/25/890368825.db2.gz UMXUZALDFPQINN-NRFANRHFSA-N 0 2 383.451 3.906 20 30 GHEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)c(Cl)c1Cl ZINC000546707103 890732294 /nfs/dbraw/zinc/73/22/94/890732294.db2.gz HJNXSCUQNDKZOJ-UHFFFAOYSA-N 0 2 387.244 3.683 20 30 GHEDLN N#CC(C(=O)CSCC(=O)N1CCCCC1)c1nc(-c2ccccc2)cs1 ZINC000917025951 890759227 /nfs/dbraw/zinc/75/92/27/890759227.db2.gz SSGRMXWEGHLGAJ-MRXNPFEDSA-N 0 2 399.541 3.732 20 30 GHEDLN C=CCn1c(SCC(=O)NOCc2ccccc2)nnc1-c1ccccc1C ZINC000124124685 891278057 /nfs/dbraw/zinc/27/80/57/891278057.db2.gz NVPXYQVBSGCFFW-UHFFFAOYSA-N 0 2 394.500 3.780 20 30 GHEDLN N#CC(C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813218808 891373935 /nfs/dbraw/zinc/37/39/35/891373935.db2.gz ZPJDDXICMXTLIV-NVXWUHKLSA-N 0 2 387.361 3.581 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnc3c(F)ccc(F)c3c2)n1 ZINC000497419812 891538617 /nfs/dbraw/zinc/53/86/17/891538617.db2.gz VJWBDJOOPPYEAW-NSHDSACASA-N 0 2 387.367 3.636 20 30 GHEDLN Cc1ccoc1CN1C(=O)C(CC(=O)NC2CC2)SC1=Nc1ccccc1C ZINC000813562089 891736651 /nfs/dbraw/zinc/73/66/51/891736651.db2.gz UEGIRNKTUWYQFI-GOSISDBHSA-N 0 2 397.500 3.697 20 30 GHEDLN Cc1ccoc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C ZINC000813562089 891736658 /nfs/dbraw/zinc/73/66/58/891736658.db2.gz UEGIRNKTUWYQFI-GOSISDBHSA-N 0 2 397.500 3.697 20 30 GHEDLN Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2Cc2ccsc2)c1 ZINC000917668603 892370697 /nfs/dbraw/zinc/37/06/97/892370697.db2.gz DFPSBDKVIKWGOA-QGZVFWFLSA-N 0 2 399.541 3.857 20 30 GHEDLN Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccsc2)c1 ZINC000917668603 892370713 /nfs/dbraw/zinc/37/07/13/892370713.db2.gz DFPSBDKVIKWGOA-QGZVFWFLSA-N 0 2 399.541 3.857 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@@H](C)F)C1=O ZINC000814703395 893089125 /nfs/dbraw/zinc/08/91/25/893089125.db2.gz BUWQDRFOQIGRBX-CZUORRHYSA-N 0 2 379.501 3.626 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CC[C@@H](C)F)C1=O ZINC000814703395 893089147 /nfs/dbraw/zinc/08/91/47/893089147.db2.gz BUWQDRFOQIGRBX-CZUORRHYSA-N 0 2 379.501 3.626 20 30 GHEDLN C=CCN(CCc1ccccc1)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000498209686 893580524 /nfs/dbraw/zinc/58/05/24/893580524.db2.gz JEQBQWPDRLBYKL-UHFFFAOYSA-N 0 2 394.500 3.898 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CC4(CCC4)[C@@H]3C(C)C)cc2[nH]c1=S ZINC000816798053 895084791 /nfs/dbraw/zinc/08/47/91/895084791.db2.gz BSJJURNSNYORJQ-KRWDZBQOSA-N 0 2 383.517 3.522 20 30 GHEDLN Cc1csc([C@@H](C#N)C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)n1 ZINC000041517580 896369327 /nfs/dbraw/zinc/36/93/27/896369327.db2.gz VFWPHEOKVHDFTD-HZMBPMFUSA-N 0 2 377.878 3.784 20 30 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CNC(=O)CC1SC(=Nc2cccc(C)c2)N([C@@H]2CC23CCCCC3)C1=O ZINC000770573431 874762204 /nfs/dbraw/zinc/76/22/04/874762204.db2.gz YELJCDSTDICJMV-IAGOWNOFSA-N 0 2 385.533 3.785 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N([C@@H]2CC23CCCCC3)C1=O ZINC000770573431 874762213 /nfs/dbraw/zinc/76/22/13/874762213.db2.gz YELJCDSTDICJMV-IAGOWNOFSA-N 0 2 385.533 3.785 20 30 GHEDLN CSc1[nH]c(=O)c(C(=O)N2CCCc3cc(F)cc(Cl)c32)cc1C#N ZINC001129645690 883080313 /nfs/dbraw/zinc/08/03/13/883080313.db2.gz YDHGDUXMVIAIHR-UHFFFAOYSA-N 0 2 377.828 3.766 20 30 GHEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnn(-c3cccc(C)c3)c2C)n1 ZINC000067894152 877602845 /nfs/dbraw/zinc/60/28/45/877602845.db2.gz JTQBIEVOWHFVJH-HNNXBMFYSA-N 0 2 394.456 3.612 20 30 GHEDLN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728536 878175103 /nfs/dbraw/zinc/17/51/03/878175103.db2.gz RITRDBHZSADXTK-UHFFFAOYSA-N 0 2 380.231 3.859 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2)N(Cc2cc(C)cc(C)c2)C1=O ZINC000853150293 878847188 /nfs/dbraw/zinc/84/71/88/878847188.db2.gz DTBGCSKPCCGUCS-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cc(C)cc(C)c2)C1=O ZINC000853150293 878847207 /nfs/dbraw/zinc/84/72/07/878847207.db2.gz DTBGCSKPCCGUCS-SFHVURJKSA-N 0 2 381.501 3.571 20 30 GHEDLN O=C(CC1SC(=Nc2ccc(Cl)cc2)N([C@@H]2C=CCC2)C1=O)NC1CC1 ZINC000853160702 878852858 /nfs/dbraw/zinc/85/28/58/878852858.db2.gz RPTOMTPIZOYFHO-CVEARBPZSA-N 0 2 389.908 3.659 20 30 GHEDLN O=C(C[C@@H]1SC(=Nc2ccc(Cl)cc2)N([C@@H]2C=CCC2)C1=O)NC1CC1 ZINC000853160702 878852868 /nfs/dbraw/zinc/85/28/68/878852868.db2.gz RPTOMTPIZOYFHO-CVEARBPZSA-N 0 2 389.908 3.659 20 30 GHEDLN COc1ccc(O)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000538299401 879212531 /nfs/dbraw/zinc/21/25/31/879212531.db2.gz VVBDLLGCQCTHOW-LBPRGKRZSA-N 0 2 378.475 3.596 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2[nH]c1=S ZINC000914221976 879433164 /nfs/dbraw/zinc/43/31/64/879433164.db2.gz JJZMTWGQZAUJCU-QGZVFWFLSA-N 0 2 379.485 3.752 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(CCC=C(C)C)C1=O ZINC000790696711 879932177 /nfs/dbraw/zinc/93/21/77/879932177.db2.gz BASCNSKFRKDGMY-HNNXBMFYSA-N 0 2 397.903 3.903 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(Cc2c(C)cccc2C)C1=O ZINC000790756174 879956310 /nfs/dbraw/zinc/95/63/10/879956310.db2.gz DHILBJLYMNPLGC-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2c(C)cccc2C)C1=O ZINC000790756174 879956316 /nfs/dbraw/zinc/95/63/16/879956316.db2.gz DHILBJLYMNPLGC-MRXNPFEDSA-N 0 2 387.530 3.633 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N([C@H]2CCc3ccc(C)cc32)C1=O ZINC000790761585 879959485 /nfs/dbraw/zinc/95/94/85/879959485.db2.gz VOQQREYJRGTTPA-DLBZAZTESA-N 0 2 399.541 3.812 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@H]2CCc3ccc(C)cc32)C1=O ZINC000790761585 879959492 /nfs/dbraw/zinc/95/94/92/879959492.db2.gz VOQQREYJRGTTPA-DLBZAZTESA-N 0 2 399.541 3.812 20 30 GHEDLN CCOc1ccc2nc(NC(=O)c3cc(C#N)c(SC)[nH]c3=O)sc2c1 ZINC000476905588 883356099 /nfs/dbraw/zinc/35/60/99/883356099.db2.gz KCYZEAMUQOGOTF-UHFFFAOYSA-N 0 2 386.458 3.641 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N(CC)Cc3ccc(C)cc3)cc2[nH]c1=S ZINC000914479111 883569718 /nfs/dbraw/zinc/56/97/18/883569718.db2.gz PMVAJAJIHAUFDB-UHFFFAOYSA-N 0 2 393.512 3.842 20 30 GHEDLN CCOc1ccc(N=C2SC(CC(=O)NC)C(=O)N2CCCC(C)C)cc1 ZINC000914550103 884133445 /nfs/dbraw/zinc/13/34/45/884133445.db2.gz MCQNURPLJFKYFN-QGZVFWFLSA-N 0 2 391.537 3.589 20 30 GHEDLN CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCC(C)C)cc1 ZINC000914550103 884133449 /nfs/dbraw/zinc/13/34/49/884133449.db2.gz MCQNURPLJFKYFN-QGZVFWFLSA-N 0 2 391.537 3.589 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(C[C@H](C)c2ccccc2)C1=O ZINC000914541128 884140037 /nfs/dbraw/zinc/14/00/37/884140037.db2.gz LCXRMQQTTNFQPX-LPHOPBHVSA-N 0 2 395.528 3.866 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H](C)c2ccccc2)C1=O ZINC000914541128 884140047 /nfs/dbraw/zinc/14/00/47/884140047.db2.gz LCXRMQQTTNFQPX-LPHOPBHVSA-N 0 2 395.528 3.866 20 30 GHEDLN CNC(=O)CC1SC(=Nc2c(C)cccc2C)N([C@H](C)Cc2ccco2)C1=O ZINC000914691511 884522876 /nfs/dbraw/zinc/52/28/76/884522876.db2.gz OXAOTODFUVMFII-NVXWUHKLSA-N 0 2 399.516 3.595 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N([C@H](C)Cc2ccco2)C1=O ZINC000914691511 884522885 /nfs/dbraw/zinc/52/28/85/884522885.db2.gz OXAOTODFUVMFII-NVXWUHKLSA-N 0 2 399.516 3.595 20 30 GHEDLN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)[C@H](C#N)c2nc(C3CC3)cs2)C1 ZINC000860844859 885044236 /nfs/dbraw/zinc/04/42/36/885044236.db2.gz XPDZLQQFMKPJFN-KCQAQPDRSA-N 0 2 393.484 3.792 20 30 GHEDLN Cc1csc([C@@H](C#N)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 ZINC000915100252 885740483 /nfs/dbraw/zinc/74/04/83/885740483.db2.gz PJUWNGGJQRJVTH-AWEZNQCLSA-N 0 2 394.422 3.958 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807928869 885863584 /nfs/dbraw/zinc/86/35/84/885863584.db2.gz JLDLRPQODJDYPF-GJZGRUSLSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N([C@H]2CCCC2(F)F)C1=O ZINC000807928869 885863596 /nfs/dbraw/zinc/86/35/96/885863596.db2.gz JLDLRPQODJDYPF-GJZGRUSLSA-N 0 2 395.475 3.559 20 30 GHEDLN CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCC2(F)CCC2)C1=O ZINC000807941873 885881932 /nfs/dbraw/zinc/88/19/32/885881932.db2.gz YWHXXDGZSWLLMO-QUKSINDFSA-N 0 2 397.541 3.528 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CC[C@@H]2CC=CCC2)C1=O ZINC000863037159 886836478 /nfs/dbraw/zinc/83/64/78/886836478.db2.gz IHHNZQLATSOHSJ-RHSMWYFYSA-N 0 2 389.496 3.640 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CC[C@@H]2CC=CCC2)C1=O ZINC000863037159 886836488 /nfs/dbraw/zinc/83/64/88/886836488.db2.gz IHHNZQLATSOHSJ-RHSMWYFYSA-N 0 2 389.496 3.640 20 30 GHEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(C[C@H]2CCCC23CC3)C1=O ZINC000863037550 886837203 /nfs/dbraw/zinc/83/72/03/886837203.db2.gz LVOOXVXOZYNVJL-NVXWUHKLSA-N 0 2 385.533 3.643 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC[C@H]2CC=CCC2)C1=O ZINC000863042107 886845703 /nfs/dbraw/zinc/84/57/03/886845703.db2.gz OQLBAPLBLKWIJF-YOEHRIQHSA-N 0 2 389.496 3.640 20 30 GHEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2CC(CC)CC)cc1 ZINC000729634326 887309032 /nfs/dbraw/zinc/30/90/32/887309032.db2.gz KKLDMMNMTZJVEZ-KRWDZBQOSA-N 0 2 375.538 3.753 20 30 GHEDLN CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC(CC)CC)cc1 ZINC000729634326 887309048 /nfs/dbraw/zinc/30/90/48/887309048.db2.gz KKLDMMNMTZJVEZ-KRWDZBQOSA-N 0 2 375.538 3.753 20 30 GHEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C/C=C\C)C3)cc2[nH]c1=S ZINC000863814266 887387434 /nfs/dbraw/zinc/38/74/34/887387434.db2.gz NRSPIUBSTXVDIB-UYWPIULCSA-N 0 2 383.517 3.690 20 30 GHEDLN CC(C)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000864094711 887544859 /nfs/dbraw/zinc/54/48/59/887544859.db2.gz WGNWQTCDMVXIOH-UHFFFAOYSA-N 0 2 382.829 3.857 20 30 GHEDLN N#Cc1ccccc1S(=O)(=O)Nc1ccccc1OCCc1ccccc1 ZINC000032631562 887709860 /nfs/dbraw/zinc/70/98/60/887709860.db2.gz AWKIWKCQJGSPBW-UHFFFAOYSA-N 0 2 378.453 3.981 20 30 GHEDLN CCc1ccc(N=C2SC(CC(=O)NC)C(=O)N2[C@H]2CCC(F)(F)C2)cc1 ZINC000763207658 888288402 /nfs/dbraw/zinc/28/84/02/888288402.db2.gz DHCOHNRESMUSIC-LSDHHAIUSA-N 0 2 395.475 3.504 20 30 GHEDLN CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H]2CCC(F)(F)C2)cc1 ZINC000763207658 888288425 /nfs/dbraw/zinc/28/84/25/888288425.db2.gz DHCOHNRESMUSIC-LSDHHAIUSA-N 0 2 395.475 3.504 20 30 GHEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(Cc2csc(C)c2C)C1=O ZINC000865293911 888291325 /nfs/dbraw/zinc/29/13/25/888291325.db2.gz BMKGAABHVWLDCB-AWEZNQCLSA-N 0 2 393.559 3.694 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2csc(C)c2C)C1=O ZINC000865293911 888291334 /nfs/dbraw/zinc/29/13/34/888291334.db2.gz BMKGAABHVWLDCB-AWEZNQCLSA-N 0 2 393.559 3.694 20 30 GHEDLN N#Cc1cc(Cl)ncc1NS(=O)(=O)/C=C/c1ccccc1Br ZINC000811830817 890014606 /nfs/dbraw/zinc/01/46/06/890014606.db2.gz HPRGFKOKHBYANY-AATRIKPKSA-N 0 2 398.669 3.782 20 30 GHEDLN Cc1nc(-c2ccccc2)[nH]c1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883041 890326964 /nfs/dbraw/zinc/32/69/64/890326964.db2.gz FWSGJIDDMJSJQS-INIZCTEOSA-N 0 2 378.819 4.000 20 30 GHEDLN Cc1[nH]c(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000916883041 890326974 /nfs/dbraw/zinc/32/69/74/890326974.db2.gz FWSGJIDDMJSJQS-INIZCTEOSA-N 0 2 378.819 4.000 20 30 GHEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000123252897 890463975 /nfs/dbraw/zinc/46/39/75/890463975.db2.gz LPXOMHOWHNCTMQ-QHAWAJNXSA-N 0 2 399.450 3.694 20 30 GHEDLN N#CC(C(=O)C[C@H](NC(N)=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 ZINC000917046295 890770331 /nfs/dbraw/zinc/77/03/31/890770331.db2.gz JANBREDDISNPGB-KGLIPLIRSA-N 0 2 398.875 3.926 20 30 GHEDLN N#C[C@H](C(=O)C[C@H](NC(N)=O)c1ccccc1)c1nc2cc(Cl)ccc2s1 ZINC000917046295 890770350 /nfs/dbraw/zinc/77/03/50/890770350.db2.gz JANBREDDISNPGB-KGLIPLIRSA-N 0 2 398.875 3.926 20 30 GHEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2C)N([C@@H]2CC[C@@H]2C)C1=O ZINC000795171158 890829578 /nfs/dbraw/zinc/82/95/78/890829578.db2.gz DSNDOCPAJKJAEF-VQISRLSMSA-N 0 2 379.913 3.515 20 30 GHEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N([C@@H]2CC[C@@H]2C)C1=O ZINC000795171158 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