smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c1=O ZINC000007095316 1072173349 /nfs/dbraw/zinc/17/33/49/1072173349.db2.gz SMENUISVOOMHML-UHFFFAOYSA-N 0 0 399.451 -0.074 20 10 GBCDRN COc1ccc(N2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000024508582 1073202620 /nfs/dbraw/zinc/20/26/20/1073202620.db2.gz HOXPOYATBBTWKI-UHFFFAOYSA-N 0 0 396.513 -0.079 20 10 GBCDRN COc1ccc(N2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1 ZINC000039561528 1072579185 /nfs/dbraw/zinc/57/91/85/1072579185.db2.gz MPQHZLRENDUQOK-UHFFFAOYSA-N 0 0 387.440 -0.320 20 10 GBCDRN NC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000051104174 1072456544 /nfs/dbraw/zinc/45/65/44/1072456544.db2.gz JXEMGWQLAMJUGA-INIZCTEOSA-N 0 0 380.420 -0.535 20 10 GBCDRN NC(=O)[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000051104175 1072575155 /nfs/dbraw/zinc/57/51/55/1072575155.db2.gz JXEMGWQLAMJUGA-MRXNPFEDSA-N 0 0 380.420 -0.535 20 10 GBCDRN O=C(CN1CCN(CCO)CC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051210837 1072169099 /nfs/dbraw/zinc/16/90/99/1072169099.db2.gz ULOVEVIIPGDOAI-UHFFFAOYSA-N 0 0 380.464 -0.112 20 10 GBCDRN CCS(=O)(=O)NCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000051445746 530203289 /nfs/dbraw/zinc/20/32/89/530203289.db2.gz NXMYCLJSHGMHLO-UHFFFAOYSA-N 0 0 379.460 -0.177 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)N3CCO[C@H](C(N)=O)C3)CC2)cc1 ZINC000051713915 1072575103 /nfs/dbraw/zinc/57/51/03/1072575103.db2.gz LPNBCIZGRDKBOF-KRWDZBQOSA-N 0 0 391.472 -0.287 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)N3CCO[C@@H](C(N)=O)C3)CC2)cc1 ZINC000051713916 1072574852 /nfs/dbraw/zinc/57/48/52/1072574852.db2.gz LPNBCIZGRDKBOF-QGZVFWFLSA-N 0 0 391.472 -0.287 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(CC(=O)N(C)C)CC1)cc2=O ZINC000051740127 1072365212 /nfs/dbraw/zinc/36/52/12/1072365212.db2.gz RFQLLLMZGMGBJB-UHFFFAOYSA-N 0 0 390.444 -0.183 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCNC(=O)[C@@H]1CC(=O)OC)cc2=O ZINC000051794017 1073866493 /nfs/dbraw/zinc/86/64/93/1073866493.db2.gz RDNPPYAPVPDGTP-LBPRGKRZSA-N 0 0 391.384 -0.525 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCNC(=O)[C@H]1CC(=O)OC)cc2=O ZINC000051794020 1073867481 /nfs/dbraw/zinc/86/74/81/1073867481.db2.gz RDNPPYAPVPDGTP-GFCCVEGCSA-N 0 0 391.384 -0.525 20 10 GBCDRN CCS(=O)(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000052152497 637366389 /nfs/dbraw/zinc/36/63/89/637366389.db2.gz FYAPCOHCOXVPGX-UHFFFAOYSA-N 0 0 391.471 -0.129 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(S(C)(=O)=O)CC1)cc2=O ZINC000052244081 1072449271 /nfs/dbraw/zinc/44/92/71/1072449271.db2.gz SMHWKLIFEZLREQ-UHFFFAOYSA-N 0 0 383.430 -0.311 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C(=O)COC)CC1)cc2=O ZINC000052934521 1072542280 /nfs/dbraw/zinc/54/22/80/1072542280.db2.gz JIPIVKRYBJOXLX-UHFFFAOYSA-N 0 0 377.401 -0.098 20 10 GBCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)n(C)c1=O ZINC000053697356 1073345890 /nfs/dbraw/zinc/34/58/90/1073345890.db2.gz IOLKRNVYKYAFMW-UHFFFAOYSA-N 0 0 394.453 -0.601 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCC(=O)NC3CC3)n2c(NCC)n1 ZINC000054131167 1073671982 /nfs/dbraw/zinc/67/19/82/1073671982.db2.gz XDSJUGYHOXOERW-UHFFFAOYSA-N 0 0 393.477 -0.130 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000055138677 530466856 /nfs/dbraw/zinc/46/68/56/530466856.db2.gz APTBLQHOICRPAW-UHFFFAOYSA-N 0 0 377.444 -0.519 20 10 GBCDRN Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O ZINC000055523391 1072472121 /nfs/dbraw/zinc/47/21/21/1072472121.db2.gz IQIXSKNTDFOKBH-UHFFFAOYSA-N 0 0 376.388 -0.161 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000061622925 530108332 /nfs/dbraw/zinc/10/83/32/530108332.db2.gz VFMOVPPIYIGNHD-NSHDSACASA-N 0 0 391.471 -0.083 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N3CCNC(=O)CC3)n2c(NCC)n1 ZINC000065901918 1072813719 /nfs/dbraw/zinc/81/37/19/1072813719.db2.gz DEODPAQSQHVVMD-UHFFFAOYSA-N 0 0 393.477 -0.177 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@@H]3CC(=O)N(C)C3)n2c(NCC)n1 ZINC000116668629 1072385855 /nfs/dbraw/zinc/38/58/55/1072385855.db2.gz WYYRWJZHSHVXPW-SECBINFHSA-N 0 0 393.477 -0.178 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@H]3CC(=O)N(C)C3)n2c(NCC)n1 ZINC000116668630 1072385755 /nfs/dbraw/zinc/38/57/55/1072385755.db2.gz WYYRWJZHSHVXPW-VIFPVBQESA-N 0 0 393.477 -0.178 20 10 GBCDRN CN(C)c1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1F ZINC000121736712 1072421901 /nfs/dbraw/zinc/42/19/01/1072421901.db2.gz ANLMYJHKLXGTQN-UHFFFAOYSA-N 0 0 388.403 -0.045 20 10 GBCDRN CN(C)c1nc(N)nc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000138513893 1072574994 /nfs/dbraw/zinc/57/49/94/1072574994.db2.gz OSJRVCRGALFWIQ-UHFFFAOYSA-N 0 0 382.402 -0.046 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 ZINC000150090068 530118346 /nfs/dbraw/zinc/11/83/46/530118346.db2.gz VFMOVPPIYIGNHD-LLVKDONJSA-N 0 0 391.471 -0.083 20 10 GBCDRN CS(=O)(=O)CCOCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000266559093 530217427 /nfs/dbraw/zinc/21/74/27/530217427.db2.gz UCUVBGOFBOCKGB-UHFFFAOYSA-N 0 0 380.444 -0.445 20 10 GBCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc1F ZINC000268033429 1072293818 /nfs/dbraw/zinc/29/38/18/1072293818.db2.gz ZLWKMFKVQPFSGW-UHFFFAOYSA-N 0 0 378.360 -0.097 20 10 GBCDRN CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000268053767 530220337 /nfs/dbraw/zinc/22/03/37/530220337.db2.gz VBEDSHILZDNHFC-UHFFFAOYSA-N 0 0 391.515 -0.118 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000269858292 530226067 /nfs/dbraw/zinc/22/60/67/530226067.db2.gz IACJBADQFMAMOQ-LLVKDONJSA-N 0 0 391.471 -0.083 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000269878291 530226671 /nfs/dbraw/zinc/22/66/71/530226671.db2.gz QMQHWCFDTALENS-JTQLQIEISA-N 0 0 391.471 -0.225 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000269878294 530226709 /nfs/dbraw/zinc/22/67/09/530226709.db2.gz QMQHWCFDTALENS-SNVBAGLBSA-N 0 0 391.471 -0.225 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCC[C@H](O)COC)n2c(NCC)n1 ZINC000270905643 1073213222 /nfs/dbraw/zinc/21/32/22/1073213222.db2.gz RNCPIQUWBBSTPC-JTQLQIEISA-N 0 0 398.493 -0.011 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCC[C@@H](O)COC)n2c(NCC)n1 ZINC000270905646 1073214063 /nfs/dbraw/zinc/21/40/63/1073214063.db2.gz RNCPIQUWBBSTPC-SNVBAGLBSA-N 0 0 398.493 -0.011 20 10 GBCDRN COc1cc(O)c(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC ZINC000271108652 1072343546 /nfs/dbraw/zinc/34/35/46/1072343546.db2.gz SPMBMAWDOOMMAE-UHFFFAOYSA-N 0 0 393.440 -0.088 20 10 GBCDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000271582880 530230155 /nfs/dbraw/zinc/23/01/55/530230155.db2.gz RELWVVOHMBCGAE-LLVKDONJSA-N 0 0 391.471 -0.083 20 10 GBCDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000271582882 530230111 /nfs/dbraw/zinc/23/01/11/530230111.db2.gz RELWVVOHMBCGAE-NSHDSACASA-N 0 0 391.471 -0.083 20 10 GBCDRN C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1S(C)(=O)=O ZINC000272072503 530230847 /nfs/dbraw/zinc/23/08/47/530230847.db2.gz ZMZORRALUOIKJW-JTQLQIEISA-N 0 0 391.471 -0.130 20 10 GBCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNC(=O)CNC(C)=O ZINC000272184168 1072372722 /nfs/dbraw/zinc/37/27/22/1072372722.db2.gz DJODIXDWCTXLDQ-UHFFFAOYSA-N 0 0 385.804 -0.201 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@H](CO)C(=O)OC)n2c(NCC)n1 ZINC000272236731 1072374854 /nfs/dbraw/zinc/37/48/54/1072374854.db2.gz MYASCSYSJWGDDH-MRVPVSSYSA-N 0 0 398.449 -0.875 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@@H](CO)C(=O)OC)n2c(NCC)n1 ZINC000272236735 1072374960 /nfs/dbraw/zinc/37/49/60/1072374960.db2.gz MYASCSYSJWGDDH-QMMMGPOBSA-N 0 0 398.449 -0.875 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCCOC(N)=O)n2c(NCC)n1 ZINC000272278385 1072374496 /nfs/dbraw/zinc/37/44/96/1072374496.db2.gz SWCAYDUSHDKXTB-UHFFFAOYSA-N 0 0 383.438 -0.314 20 10 GBCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000272388558 1072379238 /nfs/dbraw/zinc/37/92/38/1072379238.db2.gz GQWUIVAUXQDSLG-DUXPYHPUSA-N 0 0 389.408 -0.359 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NN3CCCNC3=O)n2c(NCC)n1 ZINC000272398279 1072379649 /nfs/dbraw/zinc/37/96/49/1072379649.db2.gz INCAEHPMWBTJLA-UHFFFAOYSA-N 0 0 394.465 -0.079 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCCCOCCO)n2c(NCC)n1 ZINC000272809590 1072397248 /nfs/dbraw/zinc/39/72/48/1072397248.db2.gz KYDNICQRVUWRDS-UHFFFAOYSA-N 0 0 398.493 -0.010 20 10 GBCDRN CNC(=O)[C@@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272855619 1072400833 /nfs/dbraw/zinc/40/08/33/1072400833.db2.gz KYWAPCWESDFNAX-KRWDZBQOSA-N 0 0 376.457 -0.209 20 10 GBCDRN CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000272855621 1072400764 /nfs/dbraw/zinc/40/07/64/1072400764.db2.gz KYWAPCWESDFNAX-QGZVFWFLSA-N 0 0 376.457 -0.209 20 10 GBCDRN CNC(=O)[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272934735 1072406297 /nfs/dbraw/zinc/40/62/97/1072406297.db2.gz WAEXPBSLYPJIPF-KRWDZBQOSA-N 0 0 394.447 -0.275 20 10 GBCDRN CNC(=O)[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272934741 1072406163 /nfs/dbraw/zinc/40/61/63/1072406163.db2.gz WAEXPBSLYPJIPF-QGZVFWFLSA-N 0 0 394.447 -0.275 20 10 GBCDRN COC(=O)COc1ccc(N(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000273089241 1072413969 /nfs/dbraw/zinc/41/39/69/1072413969.db2.gz MLIUQRXQXKWLCA-UHFFFAOYSA-N 0 0 390.396 -0.463 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NC(C)(CO)CO)n2c(NCC)n1 ZINC000273196520 1072416869 /nfs/dbraw/zinc/41/68/69/1072416869.db2.gz QSAAGHQTCDLYRW-UHFFFAOYSA-N 0 0 384.466 -0.666 20 10 GBCDRN CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(N2CCOCC2)nc1 ZINC000273391034 1072421398 /nfs/dbraw/zinc/42/13/98/1072421398.db2.gz KQJAVJCYIAEPRM-QPJJXVBHSA-N 0 0 385.424 -0.008 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@]3(CO)CCOC3)n2c(NCC)n1 ZINC000273575696 1072426981 /nfs/dbraw/zinc/42/69/81/1072426981.db2.gz LTEBEPUDCGLVDT-HNNXBMFYSA-N 0 0 396.477 -0.257 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@@]3(CO)CCOC3)n2c(NCC)n1 ZINC000273575699 1072426784 /nfs/dbraw/zinc/42/67/84/1072426784.db2.gz LTEBEPUDCGLVDT-OAHLLOKOSA-N 0 0 396.477 -0.257 20 10 GBCDRN COc1cc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)cc(OC)c1OC ZINC000273621108 1072428551 /nfs/dbraw/zinc/42/85/51/1072428551.db2.gz QMJXKODCQDPLSD-UHFFFAOYSA-N 0 0 392.456 -0.207 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N(C)C[C@H](O)CO)n2c(NCC)n1 ZINC000273652810 1072429514 /nfs/dbraw/zinc/42/95/14/1072429514.db2.gz BGEBVDCZLYJMDB-VIFPVBQESA-N 0 0 384.466 -0.713 20 10 GBCDRN COc1cc(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)cc(OC)c1OC ZINC000273789490 1072431998 /nfs/dbraw/zinc/43/19/98/1072431998.db2.gz BNHJXGRQJFRPSD-UHFFFAOYSA-N 0 0 391.428 -0.044 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N3C[C@@H](O)C[C@H]3CO)n2c(NCC)n1 ZINC000274851767 1072221009 /nfs/dbraw/zinc/22/10/09/1072221009.db2.gz YLQLLDSHHDBDRE-UWVGGRQHSA-N 0 0 396.477 -0.571 20 10 GBCDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 ZINC000274878462 1072223171 /nfs/dbraw/zinc/22/31/71/1072223171.db2.gz HNMJRESGTVQVOS-UHFFFAOYSA-N 0 0 384.458 -0.652 20 10 GBCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000274931616 1072226757 /nfs/dbraw/zinc/22/67/57/1072226757.db2.gz NQPCUMOZHZYBHM-JTQLQIEISA-N 0 0 387.396 -0.408 20 10 GBCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000274931620 1072227040 /nfs/dbraw/zinc/22/70/40/1072227040.db2.gz NQPCUMOZHZYBHM-SNVBAGLBSA-N 0 0 387.396 -0.408 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)N3C[C@@H](O)C[C@H]3CO)CC2)cc1 ZINC000274967090 1072228779 /nfs/dbraw/zinc/22/87/79/1072228779.db2.gz SJQUZRGJMBHSBQ-IRXDYDNUSA-N 0 0 378.473 -0.046 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)NCc3nnnn3C)n2c(NCC)n1 ZINC000275237698 1072258733 /nfs/dbraw/zinc/25/87/33/1072258733.db2.gz NNOYHQDMFNBXDV-UHFFFAOYSA-N 0 0 392.453 -0.685 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)NCC(=O)N(C)C)CC2)cc1 ZINC000275420129 1072281471 /nfs/dbraw/zinc/28/14/71/1072281471.db2.gz CKYBULQOZVSZQR-UHFFFAOYSA-N 0 0 391.472 -0.862 20 10 GBCDRN CNS(=O)(=O)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000275790506 1072420048 /nfs/dbraw/zinc/42/00/48/1072420048.db2.gz JRTICFAFSVBNGW-UHFFFAOYSA-N 0 0 399.517 -0.334 20 10 GBCDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000276119061 1072563429 /nfs/dbraw/zinc/56/34/29/1072563429.db2.gz BAIRISISEXZAOL-GQCTYLIASA-N 0 0 387.396 -0.400 20 10 GBCDRN Cc1ccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(O)c1O ZINC000276131925 1072565729 /nfs/dbraw/zinc/56/57/29/1072565729.db2.gz CVSDMYQHVCYHCC-UHFFFAOYSA-N 0 0 375.385 -0.491 20 10 GBCDRN COc1cc(O)c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC ZINC000276141514 1072568732 /nfs/dbraw/zinc/56/87/32/1072568732.db2.gz NLTWUGBQSSPQDE-UHFFFAOYSA-N 0 0 391.428 -0.128 20 10 GBCDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000276194974 1072583404 /nfs/dbraw/zinc/58/34/04/1072583404.db2.gz XRQDTAHLYVWXFW-UHFFFAOYSA-N 0 0 375.385 -0.417 20 10 GBCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)CN(C)C3=O)cc2)CC1 ZINC000276282568 1072594032 /nfs/dbraw/zinc/59/40/32/1072594032.db2.gz RWQSAZKGTMWAOO-UHFFFAOYSA-N 0 0 387.440 -0.135 20 10 GBCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)NS(C)(=O)=O)cc2)CC1 ZINC000276300081 1072596530 /nfs/dbraw/zinc/59/65/30/1072596530.db2.gz VRNCTWCEZRREKY-CYBMUJFWSA-N 0 0 382.486 -0.091 20 10 GBCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)NS(C)(=O)=O)cc2)CC1 ZINC000276300084 1072596720 /nfs/dbraw/zinc/59/67/20/1072596720.db2.gz VRNCTWCEZRREKY-ZDUSSCGKSA-N 0 0 382.486 -0.091 20 10 GBCDRN CCS(=O)(=O)NCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276307385 1072597663 /nfs/dbraw/zinc/59/76/63/1072597663.db2.gz WOPLLPDGMUROFY-UHFFFAOYSA-N 0 0 382.486 -0.089 20 10 GBCDRN CC(=O)N1CCN(c2ccc(CNC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1 ZINC000276316644 1072599222 /nfs/dbraw/zinc/59/92/22/1072599222.db2.gz VQGPVALTOPQVLV-UHFFFAOYSA-N 0 0 399.451 -0.468 20 10 GBCDRN O=C(C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1)N1CCOCC1 ZINC000276630988 1072184197 /nfs/dbraw/zinc/18/41/97/1072184197.db2.gz WANRFPAHBHSUDZ-UHFFFAOYSA-N 0 0 381.360 -0.620 20 10 GBCDRN COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000276714810 1072200236 /nfs/dbraw/zinc/20/02/36/1072200236.db2.gz ZYUHKLXFJGEIKK-RHSMWYFYSA-N 0 0 395.431 -0.113 20 10 GBCDRN COC(=O)[C@H]1C[C@H](O)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000276714816 1072200298 /nfs/dbraw/zinc/20/02/98/1072200298.db2.gz ZYUHKLXFJGEIKK-WMLDXEAASA-N 0 0 395.431 -0.113 20 10 GBCDRN COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000276714821 1072200357 /nfs/dbraw/zinc/20/03/57/1072200357.db2.gz ZYUHKLXFJGEIKK-YOEHRIQHSA-N 0 0 395.431 -0.113 20 10 GBCDRN CC(C)NS(=O)(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000277598617 530241809 /nfs/dbraw/zinc/24/18/09/530241809.db2.gz PUKXGTDZZQSTEP-UHFFFAOYSA-N 0 0 394.475 -0.674 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@]3(C1)NC(=O)NC3=O)cc2=O ZINC000279089670 1073644395 /nfs/dbraw/zinc/64/43/95/1073644395.db2.gz OZZQAJWPLNJCNE-KRWDZBQOSA-N 0 0 388.384 -0.214 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@]3(C1)NC(=O)NC3=O)cc2=O ZINC000279089673 1073644452 /nfs/dbraw/zinc/64/44/52/1073644452.db2.gz OZZQAJWPLNJCNE-QGZVFWFLSA-N 0 0 388.384 -0.214 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)CN3CCOCC3=O)CC2)cc1 ZINC000279263294 1073654447 /nfs/dbraw/zinc/65/44/47/1073654447.db2.gz JLKNDOJHDKXBED-UHFFFAOYSA-N 0 0 376.457 -0.208 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 ZINC000279575944 1073675986 /nfs/dbraw/zinc/67/59/86/1073675986.db2.gz AYTUCKFGEYSJKJ-DLBZAZTESA-N 0 0 376.457 -0.034 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)cc1 ZINC000279575947 1073675894 /nfs/dbraw/zinc/67/58/94/1073675894.db2.gz AYTUCKFGEYSJKJ-IAGOWNOFSA-N 0 0 376.457 -0.034 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 ZINC000279575948 1073675926 /nfs/dbraw/zinc/67/59/26/1073675926.db2.gz AYTUCKFGEYSJKJ-IRXDYDNUSA-N 0 0 376.457 -0.034 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 ZINC000279575950 1073675869 /nfs/dbraw/zinc/67/58/69/1073675869.db2.gz AYTUCKFGEYSJKJ-SJORKVTESA-N 0 0 376.457 -0.034 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N3CC(CC(N)=O)C3)n2c(NCC)n1 ZINC000280479456 1072155433 /nfs/dbraw/zinc/15/54/33/1072155433.db2.gz JSACVSANXGPCPW-UHFFFAOYSA-N 0 0 393.477 -0.191 20 10 GBCDRN O=C(C(=O)N1CCN(Cc2cc3c(cc2O)OCO3)CC1)N1CCOCC1 ZINC000280699553 1072630514 /nfs/dbraw/zinc/63/05/14/1072630514.db2.gz AJMZQINTVFUGHE-UHFFFAOYSA-N 0 0 377.397 -0.376 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@H](CO)CCOC)n2c(NCC)n1 ZINC000281494498 1073429543 /nfs/dbraw/zinc/42/95/43/1073429543.db2.gz HLVCMOQNCQSYTN-JTQLQIEISA-N 0 0 398.493 -0.011 20 10 GBCDRN CCNc1nc2nnc(SCC(=O)N[C@@H](CO)CCOC)n2c(NCC)n1 ZINC000281494501 1073429098 /nfs/dbraw/zinc/42/90/98/1073429098.db2.gz HLVCMOQNCQSYTN-SNVBAGLBSA-N 0 0 398.493 -0.011 20 10 GBCDRN CCN(CCO)C(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000285766442 1072735473 /nfs/dbraw/zinc/73/54/73/1072735473.db2.gz LEPCGVPORLANTI-UHFFFAOYSA-N 0 0 378.473 -0.226 20 10 GBCDRN CN(C)c1ccc(CNC(=O)CNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000289293671 530256551 /nfs/dbraw/zinc/25/65/51/530256551.db2.gz BKRQSQZNENFPDI-AWEZNQCLSA-N 0 0 389.499 -0.525 20 10 GBCDRN CN(C)c1ccc(CNC(=O)CNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000289293673 530256327 /nfs/dbraw/zinc/25/63/27/530256327.db2.gz BKRQSQZNENFPDI-CQSZACIVSA-N 0 0 389.499 -0.525 20 10 GBCDRN CC[C@H](CNS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000295669137 530283259 /nfs/dbraw/zinc/28/32/59/530283259.db2.gz RNFZWEYYVWVOJT-SECBINFHSA-N 0 0 379.460 -0.179 20 10 GBCDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000295669138 530282997 /nfs/dbraw/zinc/28/29/97/530282997.db2.gz RNFZWEYYVWVOJT-VIFPVBQESA-N 0 0 379.460 -0.179 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCS(=O)(=O)CC2)c1 ZINC000299081198 530083091 /nfs/dbraw/zinc/08/30/91/530083091.db2.gz JAYAFCNXHSUEOW-UHFFFAOYSA-N 0 0 391.471 -0.776 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCCS2(=O)=O)c1 ZINC000299422372 530083713 /nfs/dbraw/zinc/08/37/13/530083713.db2.gz HMNAPKDFKPJASN-UHFFFAOYSA-N 0 0 377.444 -0.471 20 10 GBCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000362984780 530304814 /nfs/dbraw/zinc/30/48/14/530304814.db2.gz WHHZWQZYYYOLKH-LLVKDONJSA-N 0 0 391.471 -0.083 20 10 GBCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000362984781 530304789 /nfs/dbraw/zinc/30/47/89/530304789.db2.gz WHHZWQZYYYOLKH-NSHDSACASA-N 0 0 391.471 -0.083 20 10 GBCDRN CCN1C(=O)[C@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CCN2C1=O ZINC000363964036 1073290885 /nfs/dbraw/zinc/29/08/85/1073290885.db2.gz KBXJNVIAUJZDRO-GFCCVEGCSA-N 0 0 396.425 -0.128 20 10 GBCDRN CCN1C(=O)[C@@H]2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CCN2C1=O ZINC000363964041 1073291489 /nfs/dbraw/zinc/29/14/89/1073291489.db2.gz KBXJNVIAUJZDRO-LBPRGKRZSA-N 0 0 396.425 -0.128 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](S(N)(=O)=O)C1)cc2=O ZINC000376781773 1073116108 /nfs/dbraw/zinc/11/61/08/1073116108.db2.gz BELDRKYBBVVUDV-LLVKDONJSA-N 0 0 383.430 -0.136 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](S(N)(=O)=O)C1)cc2=O ZINC000376781774 1073116602 /nfs/dbraw/zinc/11/66/02/1073116602.db2.gz BELDRKYBBVVUDV-NSHDSACASA-N 0 0 383.430 -0.136 20 10 GBCDRN CNS(=O)(=O)CCNC(=O)C1=S=C(NC(=O)c2ccc(OC)cc2)C=C1 ZINC000440154841 1072991232 /nfs/dbraw/zinc/99/12/32/1072991232.db2.gz LKUVDCOMQMNWQP-UHFFFAOYSA-N 0 0 397.478 -0.304 20 10 GBCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509595044 1072917622 /nfs/dbraw/zinc/91/76/22/1072917622.db2.gz YUQIPDOTBGGYQC-LLVKDONJSA-N 0 0 398.462 -0.065 20 10 GBCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509595045 1072917632 /nfs/dbraw/zinc/91/76/32/1072917632.db2.gz YUQIPDOTBGGYQC-NSHDSACASA-N 0 0 398.462 -0.065 20 10 GBCDRN CCOC(=O)C1=S=C(NC(=O)C(=O)Nc2cc(C)nn2CCO)C=C1C ZINC000515179671 1072709495 /nfs/dbraw/zinc/70/94/95/1072709495.db2.gz MVEBNPMSDFEHSH-UHFFFAOYSA-N 0 0 380.426 -0.203 20 10 GBCDRN COc1ccc(C(=O)NC2=S=C(C(=O)NCCNS(C)(=O)=O)C=C2)cc1 ZINC000532325146 1073836872 /nfs/dbraw/zinc/83/68/72/1073836872.db2.gz WCKSGXYRAFNGIA-UHFFFAOYSA-N 0 0 397.478 -0.304 20 10 GBCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000576531276 530511177 /nfs/dbraw/zinc/51/11/77/530511177.db2.gz WSKSVQXRDJRPAA-NXEZZACHSA-N 0 0 384.435 -0.721 20 10 GBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1=S=C(NC(=O)c2ccco2)C=C1C ZINC000617875224 1073343106 /nfs/dbraw/zinc/34/31/06/1073343106.db2.gz OHWMNHLOXHSEQQ-PWSUYJOCSA-N 0 0 398.462 -0.067 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2CCCS2(=O)=O)c1 ZINC000725905172 638354901 /nfs/dbraw/zinc/35/49/01/638354901.db2.gz XXNCMZXGEDPTAR-UHFFFAOYSA-N 0 0 391.471 -0.081 20 10 GBCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOCC1 ZINC000726976534 637391473 /nfs/dbraw/zinc/39/14/73/637391473.db2.gz MZZHACNQXHPMRI-UHFFFAOYSA-N 0 0 389.499 -0.412 20 10 GBCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cn1ccc(=O)[nH]c1=O)cc2=O ZINC000728321123 1072545144 /nfs/dbraw/zinc/54/51/44/1072545144.db2.gz TVTNDQOENDRVMF-UHFFFAOYSA-N 0 0 389.324 -0.383 20 10 GBCDRN CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)NS(C)(=O)=O ZINC000731838985 637521712 /nfs/dbraw/zinc/52/17/12/637521712.db2.gz SBJVFDLBKIYPEU-UHFFFAOYSA-N 0 0 379.460 -0.179 20 10 GBCDRN COCCN(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732220010 637524761 /nfs/dbraw/zinc/52/47/61/637524761.db2.gz RKDMBGMDIIUOKB-UHFFFAOYSA-N 0 0 391.515 -0.166 20 10 GBCDRN O=C(C1=CC(=O)CS1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000732272763 637525411 /nfs/dbraw/zinc/52/54/11/637525411.db2.gz AIMIZKHPWFXVQV-LLVKDONJSA-N 0 0 394.496 -0.272 20 10 GBCDRN O=C(C1=CC(=O)CS1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000732272764 637525376 /nfs/dbraw/zinc/52/53/76/637525376.db2.gz AIMIZKHPWFXVQV-NSHDSACASA-N 0 0 394.496 -0.272 20 10 GBCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000732354605 637525314 /nfs/dbraw/zinc/52/53/14/637525314.db2.gz XCDPHWYAKQYLFF-LLVKDONJSA-N 0 0 388.467 -0.058 20 10 GBCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000732354606 637525396 /nfs/dbraw/zinc/52/53/96/637525396.db2.gz XCDPHWYAKQYLFF-NSHDSACASA-N 0 0 388.467 -0.058 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1 ZINC000735118172 637577013 /nfs/dbraw/zinc/57/70/13/637577013.db2.gz LHAOFVUSAQZFOH-JTQLQIEISA-N 0 0 377.444 -0.473 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1 ZINC000735118174 637577096 /nfs/dbraw/zinc/57/70/96/637577096.db2.gz LHAOFVUSAQZFOH-SNVBAGLBSA-N 0 0 377.444 -0.473 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 ZINC000736674790 637588140 /nfs/dbraw/zinc/58/81/40/637588140.db2.gz UGXAJIQZADSSDC-JTQLQIEISA-N 0 0 391.471 -0.096 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 ZINC000736674791 637587785 /nfs/dbraw/zinc/58/77/85/637587785.db2.gz UGXAJIQZADSSDC-SNVBAGLBSA-N 0 0 391.471 -0.096 20 10 GBCDRN Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226867 598826251 /nfs/dbraw/zinc/82/62/51/598826251.db2.gz FNWREXDFCWZHMS-UHFFFAOYSA-N 0 0 396.411 -0.313 20 10 GBCDRN Cc1cc(C(=O)NC(C(N)=O)C(N)=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235718 598698960 /nfs/dbraw/zinc/69/89/60/598698960.db2.gz YOLLINUEQHLYGU-UHFFFAOYSA-N 0 0 382.384 -0.657 20 10 GBCDRN C[S@](=O)CCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000741290144 637624709 /nfs/dbraw/zinc/62/47/09/637624709.db2.gz WGRDYQXQQGYDSB-DEOSSOPVSA-N 0 0 389.499 -0.100 20 10 GBCDRN C[S@@](=O)CCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000741290146 637624774 /nfs/dbraw/zinc/62/47/74/637624774.db2.gz WGRDYQXQQGYDSB-XMMPIXPASA-N 0 0 389.499 -0.100 20 10 GBCDRN O=C(CN1CCN(C(=O)C2=CC(=O)CS2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000743454487 637633292 /nfs/dbraw/zinc/63/32/92/637633292.db2.gz LONHLKKKQDVDMO-LLVKDONJSA-N 0 0 387.483 -0.485 20 10 GBCDRN O=C(CN1CCN(C(=O)C2=CC(=O)CS2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000743454488 637633199 /nfs/dbraw/zinc/63/31/99/637633199.db2.gz LONHLKKKQDVDMO-NSHDSACASA-N 0 0 387.483 -0.485 20 10 GBCDRN CC(C)NS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000746399244 637644250 /nfs/dbraw/zinc/64/42/50/637644250.db2.gz BKTIQUISCFTCGW-UHFFFAOYSA-N 0 0 379.460 -0.179 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 ZINC000746689340 637645594 /nfs/dbraw/zinc/64/55/94/637645594.db2.gz KRTMHIQDHOGPQT-UHFFFAOYSA-N 0 0 391.471 -0.083 20 10 GBCDRN CN(C)c1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000748683779 637656335 /nfs/dbraw/zinc/65/63/35/637656335.db2.gz IBGYDVQITYYVST-UHFFFAOYSA-N 0 0 376.504 -0.336 20 10 GBCDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000749544721 637660453 /nfs/dbraw/zinc/66/04/53/637660453.db2.gz IKPRRCCAJGWWBI-LLVKDONJSA-N 0 0 391.471 -0.083 20 10 GBCDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000749544723 637660615 /nfs/dbraw/zinc/66/06/15/637660615.db2.gz IKPRRCCAJGWWBI-NSHDSACASA-N 0 0 391.471 -0.083 20 10 GBCDRN CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000750539723 637665899 /nfs/dbraw/zinc/66/58/99/637665899.db2.gz SGUIGKTXOVBKRC-JTQLQIEISA-N 0 0 377.444 -0.473 20 10 GBCDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000750539724 637665930 /nfs/dbraw/zinc/66/59/30/637665930.db2.gz SGUIGKTXOVBKRC-SNVBAGLBSA-N 0 0 377.444 -0.473 20 10 GBCDRN COc1cccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1O ZINC000751304461 637670451 /nfs/dbraw/zinc/67/04/51/637670451.db2.gz ABKLBWWQIDYGPF-UHFFFAOYSA-N 0 0 379.460 -0.688 20 10 GBCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000751318007 637670804 /nfs/dbraw/zinc/67/08/04/637670804.db2.gz JVXLGDUNXXZHNU-LLVKDONJSA-N 0 0 393.487 -0.127 20 10 GBCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000751318009 637670639 /nfs/dbraw/zinc/67/06/39/637670639.db2.gz JVXLGDUNXXZHNU-NSHDSACASA-N 0 0 393.487 -0.127 20 10 GBCDRN COc1ccc(O)c(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 ZINC000751415422 637671501 /nfs/dbraw/zinc/67/15/01/637671501.db2.gz OMDHWADVDLTYRB-UHFFFAOYSA-N 0 0 379.460 -0.688 20 10 GBCDRN CN(CCN1CCCS1(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000752813321 637679667 /nfs/dbraw/zinc/67/96/67/637679667.db2.gz SKOIUJWDSGKYCT-UHFFFAOYSA-N 0 0 391.471 -0.129 20 10 GBCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000754318804 637690456 /nfs/dbraw/zinc/69/04/56/637690456.db2.gz FLGVYDWLVQRNAJ-UHFFFAOYSA-N 0 0 390.531 -0.027 20 10 GBCDRN CN(C)c1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1F ZINC000754319380 637690434 /nfs/dbraw/zinc/69/04/34/637690434.db2.gz AAGGBMDRKUNWGO-UHFFFAOYSA-N 0 0 394.494 -0.197 20 10 GBCDRN CCS(=O)(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000758537503 637716149 /nfs/dbraw/zinc/71/61/49/637716149.db2.gz RUKXQGBDHPCACY-UHFFFAOYSA-N 0 0 389.499 -0.523 20 10 GBCDRN COc1ccc(N2CCN(C(=O)CN3CCN(C(=O)CO)CC3)CC2)cc1 ZINC000759840801 1073339861 /nfs/dbraw/zinc/33/98/61/1073339861.db2.gz CFFFWHVWXYSVMG-UHFFFAOYSA-N 0 0 376.457 -0.520 20 10 GBCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)C[C@H](O)CO)CC2)cc1 ZINC000760017157 1072439616 /nfs/dbraw/zinc/43/96/16/1072439616.db2.gz ZVDCKVBCPAHGIF-PTZVLDCSSA-N 0 0 377.441 -0.288 20 10 GBCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)C[C@H](O)CO)CC2)cc1 ZINC000760017164 1072440516 /nfs/dbraw/zinc/44/05/16/1072440516.db2.gz ZVDCKVBCPAHGIF-WAVCKPEOSA-N 0 0 377.441 -0.288 20 10 GBCDRN COc1cc(N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc(OC)c1OC ZINC000760084127 1073340398 /nfs/dbraw/zinc/34/03/98/1073340398.db2.gz KRPJFGGIIOONDW-LBPRGKRZSA-N 0 0 392.412 -0.041 20 10 GBCDRN COc1cc(N2CCN(C(=O)[C@@H](CO)NC(N)=O)CC2)cc(OC)c1OC ZINC000760086112 1073370284 /nfs/dbraw/zinc/37/02/84/1073370284.db2.gz SACJHEITKRCIFN-GFCCVEGCSA-N 0 0 382.417 -0.610 20 10 GBCDRN COc1cc(N2CCN(C(=O)[C@H](CO)NC(N)=O)CC2)cc(OC)c1OC ZINC000760086119 1073370243 /nfs/dbraw/zinc/37/02/43/1073370243.db2.gz SACJHEITKRCIFN-LBPRGKRZSA-N 0 0 382.417 -0.610 20 10 GBCDRN C[C@H](CNC(=O)C(=O)NCc1cccc(Br)c1O)S(N)(=O)=O ZINC000765924442 637745645 /nfs/dbraw/zinc/74/56/45/637745645.db2.gz AHQXHYUAHULCHG-SSDOTTSWSA-N 0 0 394.247 -0.436 20 10 GBCDRN C[C@@H](CNC(=O)C(=O)NCc1cccc(Br)c1O)S(N)(=O)=O ZINC000765924754 637745809 /nfs/dbraw/zinc/74/58/09/637745809.db2.gz AHQXHYUAHULCHG-ZETCQYMHSA-N 0 0 394.247 -0.436 20 10 GBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NCC(F)F ZINC000767661946 637758178 /nfs/dbraw/zinc/75/81/78/637758178.db2.gz HMXSSJNQYXXSRZ-UHFFFAOYSA-N 0 0 375.397 -0.081 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCN2CCCS2(=O)=O)c1 ZINC000773154402 637788012 /nfs/dbraw/zinc/78/80/12/637788012.db2.gz OOIBNPJJWUDKBG-UHFFFAOYSA-N 0 0 378.428 -0.044 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000779333343 637819792 /nfs/dbraw/zinc/81/97/92/637819792.db2.gz ACILEQSSRWCMSC-UHFFFAOYSA-N 0 0 377.444 -0.615 20 10 GBCDRN CCOC(=O)CN(C)C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000783152892 1073287770 /nfs/dbraw/zinc/28/77/70/1073287770.db2.gz QOYMCDVQUQDURP-UHFFFAOYSA-N 0 0 388.398 -0.058 20 10 GBCDRN CN(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000785356282 637845109 /nfs/dbraw/zinc/84/51/09/637845109.db2.gz WSDPHAPHEXPMAS-UHFFFAOYSA-N 0 0 389.499 -0.571 20 10 GBCDRN CN(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000785370274 1073624908 /nfs/dbraw/zinc/62/49/08/1073624908.db2.gz OZJDYJLPCVYKHE-AWEZNQCLSA-N 0 0 382.486 -0.104 20 10 GBCDRN CN(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000785370276 1073624869 /nfs/dbraw/zinc/62/48/69/1073624869.db2.gz OZJDYJLPCVYKHE-CQSZACIVSA-N 0 0 382.486 -0.104 20 10 GBCDRN CCOCCOC[C@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000792043131 637877302 /nfs/dbraw/zinc/87/73/02/637877302.db2.gz DGBRMTXVFDXNNQ-GFCCVEGCSA-N 0 0 376.431 -0.093 20 10 GBCDRN CCOCCOC[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000792043132 637877187 /nfs/dbraw/zinc/87/71/87/637877187.db2.gz DGBRMTXVFDXNNQ-LBPRGKRZSA-N 0 0 376.431 -0.093 20 10 GBCDRN Cn1nncc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000795093886 637889633 /nfs/dbraw/zinc/88/96/33/637889633.db2.gz XMKKHQJLARJXCW-UHFFFAOYSA-N 0 0 385.471 -0.472 20 10 GBCDRN COc1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c(O)c1 ZINC000795358701 637892810 /nfs/dbraw/zinc/89/28/10/637892810.db2.gz SPXXUSUVXRNNKU-UHFFFAOYSA-N 0 0 379.460 -0.688 20 10 GBCDRN CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 ZINC000797431318 637902354 /nfs/dbraw/zinc/90/23/54/637902354.db2.gz LSTHGMOPCOKTPY-UHFFFAOYSA-N 0 0 387.443 -0.199 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc1 ZINC000799898582 1072427476 /nfs/dbraw/zinc/42/74/76/1072427476.db2.gz VNHYJLDLMGEMHS-AWEZNQCLSA-N 0 0 399.517 -0.207 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CC(NS(C)(=O)=O)C2)c1 ZINC000801461561 638368835 /nfs/dbraw/zinc/36/88/35/638368835.db2.gz WUGDTTLPEITXDR-UHFFFAOYSA-N 0 0 377.444 -0.426 20 10 GBCDRN CS(=O)(=O)N1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806276093 637436005 /nfs/dbraw/zinc/43/60/05/637436005.db2.gz HEWYOANMXRDRIO-UHFFFAOYSA-N 0 0 392.528 -0.155 20 10 GBCDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806280684 637928206 /nfs/dbraw/zinc/92/82/06/637928206.db2.gz JBQONZOTSZRITB-UHFFFAOYSA-N 0 0 392.528 -0.251 20 10 GBCDRN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806281328 637928516 /nfs/dbraw/zinc/92/85/16/637928516.db2.gz UPXJUYVKTKITKD-SECBINFHSA-N 0 0 378.501 -0.369 20 10 GBCDRN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806281329 637928351 /nfs/dbraw/zinc/92/83/51/637928351.db2.gz UPXJUYVKTKITKD-VIFPVBQESA-N 0 0 378.501 -0.369 20 10 GBCDRN C[C@H](CNC(=O)C(=O)NCc1cc(Br)ccc1O)S(N)(=O)=O ZINC000807386969 637933837 /nfs/dbraw/zinc/93/38/37/637933837.db2.gz SLXHMIXOLIYKQO-SSDOTTSWSA-N 0 0 394.247 -0.436 20 10 GBCDRN C[C@@H](CNC(=O)C(=O)NCc1cc(Br)ccc1O)S(N)(=O)=O ZINC000807386970 637933897 /nfs/dbraw/zinc/93/38/97/637933897.db2.gz SLXHMIXOLIYKQO-ZETCQYMHSA-N 0 0 394.247 -0.436 20 10 GBCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000816815342 637974870 /nfs/dbraw/zinc/97/48/70/637974870.db2.gz SGNDPRIYZZZUMJ-LLVKDONJSA-N 0 0 391.471 -0.130 20 10 GBCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000816815343 637974686 /nfs/dbraw/zinc/97/46/86/637974686.db2.gz SGNDPRIYZZZUMJ-NSHDSACASA-N 0 0 391.471 -0.130 20 10 GBCDRN CN(C)S(=O)(=O)CCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000820787095 637996876 /nfs/dbraw/zinc/99/68/76/637996876.db2.gz HNGKJYQCQYKPFE-UHFFFAOYSA-N 0 0 391.515 -0.166 20 10 GBCDRN O=C1NC(=S)NC(=O)C1=CNc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC000823541260 606176117 /nfs/dbraw/zinc/17/61/17/606176117.db2.gz NIPYSIABSNIATA-UHFFFAOYSA-N 0 0 381.381 -0.121 20 10 GBCDRN Cn1cc(C=CC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c(=O)n(C)c1=O ZINC000826359247 607951578 /nfs/dbraw/zinc/95/15/78/607951578.db2.gz ASPWPELRAKEZAP-AATRIKPKSA-N 0 0 379.380 -0.133 20 10 GBCDRN Cn1cc(C=CC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c(=O)n(C)c1=O ZINC000826359248 607951569 /nfs/dbraw/zinc/95/15/69/607951569.db2.gz ASPWPELRAKEZAP-WAYWQWQTSA-N 0 0 379.380 -0.133 20 10 GBCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000828237921 638015875 /nfs/dbraw/zinc/01/58/75/638015875.db2.gz CKTXHMLIOXKYLF-NXEZZACHSA-N 0 0 393.512 -0.330 20 10 GBCDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000828237924 638015603 /nfs/dbraw/zinc/01/56/03/638015603.db2.gz CKTXHMLIOXKYLF-UWVGGRQHSA-N 0 0 393.512 -0.330 20 10 GBCDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000828237927 638015669 /nfs/dbraw/zinc/01/56/69/638015669.db2.gz CKTXHMLIOXKYLF-VHSXEESVSA-N 0 0 393.512 -0.330 20 10 GBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000828237931 638015791 /nfs/dbraw/zinc/01/57/91/638015791.db2.gz CKTXHMLIOXKYLF-ZJUUUORDSA-N 0 0 393.512 -0.330 20 10 GBCDRN CNS(=O)(=O)NCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000828519034 638016810 /nfs/dbraw/zinc/01/68/10/638016810.db2.gz BGCUHLPDJUESPZ-UHFFFAOYSA-N 0 0 379.822 -0.399 20 10 GBCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CNS(=O)(=O)N(C)C ZINC000831706581 638026129 /nfs/dbraw/zinc/02/61/29/638026129.db2.gz HDBXKZRYRJJSSG-UHFFFAOYSA-N 0 0 393.849 -0.057 20 10 GBCDRN CNS(=O)(=O)NCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837713755 638037734 /nfs/dbraw/zinc/03/77/34/638037734.db2.gz GBDCNQKEVONJQP-UHFFFAOYSA-N 0 0 378.401 -0.529 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCN(C)S3(=O)=O)CC2)cc1 ZINC000843776400 1073195291 /nfs/dbraw/zinc/19/52/91/1073195291.db2.gz NVAUNRZSFUJPJL-KRWDZBQOSA-N 0 0 396.513 -0.033 20 10 GBCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3CCN(C)S3(=O)=O)CC2)cc1 ZINC000843776401 1073195625 /nfs/dbraw/zinc/19/56/25/1073195625.db2.gz NVAUNRZSFUJPJL-QGZVFWFLSA-N 0 0 396.513 -0.033 20 10 GBCDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000845996520 638066057 /nfs/dbraw/zinc/06/60/57/638066057.db2.gz QASZEYHDFNJUKQ-UHFFFAOYSA-N 0 0 383.879 -0.043 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCOC[C@H]3C(=O)[O-])CC2)cc1 ZINC000846225491 955698506 /nfs/dbraw/zinc/69/85/06/955698506.db2.gz NOOXDGAXTQAZOT-AEFFLSMTSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@H](O)CN3CCOC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000846225493 955699310 /nfs/dbraw/zinc/69/93/10/955699310.db2.gz NOOXDGAXTQAZOT-FUHWJXTLSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCOC[C@@H]3C(=O)[O-])CC2)cc1 ZINC000846225494 955700450 /nfs/dbraw/zinc/70/04/50/955700450.db2.gz NOOXDGAXTQAZOT-SJLPKXTDSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@H](O)CN3CCOC[C@H]3C(=O)[O-])CC2)cc1 ZINC000846225496 955700399 /nfs/dbraw/zinc/70/03/99/955700399.db2.gz NOOXDGAXTQAZOT-WMZOPIPTSA-N 0 0 379.457 -0.037 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846398509 638069358 /nfs/dbraw/zinc/06/93/58/638069358.db2.gz HMNSLUYIYMQOLT-JTQLQIEISA-N 0 0 377.444 -0.473 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 ZINC000846398510 638069296 /nfs/dbraw/zinc/06/92/96/638069296.db2.gz HMNSLUYIYMQOLT-SNVBAGLBSA-N 0 0 377.444 -0.473 20 10 GBCDRN CNS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000849442465 638136438 /nfs/dbraw/zinc/13/64/38/638136438.db2.gz ZZAWJEIIGCZENV-UHFFFAOYSA-N 0 0 392.503 -0.799 20 10 GBCDRN NS(=O)(=O)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854140477 638176207 /nfs/dbraw/zinc/17/62/07/638176207.db2.gz JULIVGFFGJMDJG-UHFFFAOYSA-N 0 0 378.401 -0.111 20 10 GBCDRN CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000854832714 638187553 /nfs/dbraw/zinc/18/75/53/638187553.db2.gz GEPFUOWNKWRKBS-UHFFFAOYSA-N 0 0 377.444 -0.172 20 10 GBCDRN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855474860 638198414 /nfs/dbraw/zinc/19/84/14/638198414.db2.gz BVQGGPISJREMMA-CMPLNLGQSA-N 0 0 378.428 -0.695 20 10 GBCDRN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855474861 638198480 /nfs/dbraw/zinc/19/84/80/638198480.db2.gz BVQGGPISJREMMA-JQWIXIFHSA-N 0 0 378.428 -0.695 20 10 GBCDRN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855474862 638198530 /nfs/dbraw/zinc/19/85/30/638198530.db2.gz BVQGGPISJREMMA-PWSUYJOCSA-N 0 0 378.428 -0.695 20 10 GBCDRN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000855474863 638198465 /nfs/dbraw/zinc/19/84/65/638198465.db2.gz BVQGGPISJREMMA-ZYHUDNBSSA-N 0 0 378.428 -0.695 20 10 GBCDRN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCN1S(C)(=O)=O ZINC000855823390 638201286 /nfs/dbraw/zinc/20/12/86/638201286.db2.gz ZMZORRALUOIKJW-SNVBAGLBSA-N 0 0 391.471 -0.130 20 10 GBCDRN CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000863921868 638257854 /nfs/dbraw/zinc/25/78/54/638257854.db2.gz NKJWCYGVEACMPM-UHFFFAOYSA-N 0 0 395.434 -0.033 20 10 GBCDRN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)N(C)C)cc1 ZINC000891257181 1072451838 /nfs/dbraw/zinc/45/18/38/1072451838.db2.gz FAVHLUXECUTWAK-GJZGRUSLSA-N 0 0 382.486 -0.615 20 10 GBCDRN CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)N(C)C)cc1 ZINC000891257186 1072451784 /nfs/dbraw/zinc/45/17/84/1072451784.db2.gz FAVHLUXECUTWAK-LSDHHAIUSA-N 0 0 382.486 -0.615 20 10 GBCDRN COc1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(O)c1OC ZINC000891533983 1072175293 /nfs/dbraw/zinc/17/52/93/1072175293.db2.gz IPACMMOZBAONAY-UHFFFAOYSA-N 0 0 393.440 -0.088 20 10 GBCDRN O=S(=O)(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1COC[C@H]1O ZINC000916224933 637532592 /nfs/dbraw/zinc/53/25/92/637532592.db2.gz AIXAPOXKVNYPGQ-ZIAGYGMSSA-N 0 0 378.397 -0.020 20 10 GBCDRN CN(CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(C)(=O)=O ZINC000918645386 637542848 /nfs/dbraw/zinc/54/28/48/637542848.db2.gz STZDFXBQEKZTAE-UHFFFAOYSA-N 0 0 389.499 -0.571 20 10 GBCDRN CN(CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O ZINC000919815054 637550343 /nfs/dbraw/zinc/55/03/43/637550343.db2.gz OARLUSBECDADQP-UHFFFAOYSA-N 0 0 379.460 -0.225 20 10 GBCDRN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920299946 637553708 /nfs/dbraw/zinc/55/37/08/637553708.db2.gz XEYSSXHNLKMAOM-GFCCVEGCSA-N 0 0 389.499 -0.525 20 10 GBCDRN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920299993 637553653 /nfs/dbraw/zinc/55/36/53/637553653.db2.gz XEYSSXHNLKMAOM-LBPRGKRZSA-N 0 0 389.499 -0.525 20 10 GBCDRN CS(=O)(=O)NCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920457572 637555439 /nfs/dbraw/zinc/55/54/39/637555439.db2.gz RVZQPJDINSQSJP-UHFFFAOYSA-N 0 0 389.499 -0.523 20 10 GBCDRN COCCN1C(=O)C(=CNc2cccc(S(N)(=O)=O)c2)C(=O)NC1=S ZINC000920974128 637557777 /nfs/dbraw/zinc/55/77/77/637557777.db2.gz BCEZMFNVJBCBAQ-DHZHZOJOSA-N 0 0 384.439 -0.481 20 10 GBCDRN COCCN1C(=O)/C(=C/NNS(=O)(=O)c2ccccc2)C(=O)NC1=S ZINC000920976270 637557763 /nfs/dbraw/zinc/55/77/63/637557763.db2.gz UMZPALSJVQRHEL-PKNBQFBNSA-N 0 0 384.439 -0.757 20 10 GBCDRN COCCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S ZINC000920976862 637557627 /nfs/dbraw/zinc/55/76/27/637557627.db2.gz YZPHOOAFQFKGKL-DHZHZOJOSA-N 0 0 384.439 -0.481 20 10 GBCDRN COCCN1C(=O)C(=CNc2ccc(S(N)(=O)=O)cc2)C(=O)NC1=S ZINC000920976864 637557815 /nfs/dbraw/zinc/55/78/15/637557815.db2.gz YZPHOOAFQFKGKL-FLIBITNWSA-N 0 0 384.439 -0.481 20 10 GBCDRN CN(C)C(=O)CNC(=S)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000920995228 637557839 /nfs/dbraw/zinc/55/78/39/637557839.db2.gz YIBVBHKXERDNSN-UHFFFAOYSA-N 0 0 384.527 -0.026 20 10 GBCDRN CN(C)c1ccc([C@H](CNC(=O)C(=O)N(C)CCS(C)(=O)=O)N(C)C)cc1 ZINC000934317002 1072317950 /nfs/dbraw/zinc/31/79/50/1072317950.db2.gz SPMSXWOSHCWSFY-INIZCTEOSA-N 0 0 398.529 -0.026 20 10 GBCDRN CN(C)c1ccc([C@@H](CNC(=O)C(=O)N(C)CCS(C)(=O)=O)N(C)C)cc1 ZINC000934317003 1072318533 /nfs/dbraw/zinc/31/85/33/1072318533.db2.gz SPMSXWOSHCWSFY-MRXNPFEDSA-N 0 0 398.529 -0.026 20 10 GBCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@@H](O)C2)cc1 ZINC000970657722 1072361468 /nfs/dbraw/zinc/36/14/68/1072361468.db2.gz ZDSHQRIPKARADO-XQHKEYJVSA-N 0 0 388.384 -0.728 20 10 GBCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2O)cc1 ZINC001024287448 1072714436 /nfs/dbraw/zinc/71/44/36/1072714436.db2.gz UFTSLGPCMCQCTP-YVECIDJPSA-N 0 0 388.384 -0.728 20 10 GBCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 ZINC001025697729 1073174081 /nfs/dbraw/zinc/17/40/81/1073174081.db2.gz ZDSHQRIPKARADO-YVECIDJPSA-N 0 0 388.384 -0.728 20 10 GBCDRN Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269878798 1072653231 /nfs/dbraw/zinc/65/32/31/1072653231.db2.gz CXEMNUXPTHYQAQ-ZJUUUORDSA-N 0 0 394.482 -0.652 20 10 GBCDRN Cn1ncnc1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2C1 ZINC001269879101 1072651708 /nfs/dbraw/zinc/65/17/08/1072651708.db2.gz KVATZVKNUMAYDP-VHSXEESVSA-N 0 0 394.482 -0.652 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1[C@@H]2C[C@H]1CN(C(=O)c1ccc(=O)[nH]n1)C2 ZINC001269879436 1072651504 /nfs/dbraw/zinc/65/15/04/1072651504.db2.gz PPHJDNLYRYVILT-DTORHVGOSA-N 0 0 393.450 -0.532 20 10 GBCDRN Cn1ncnc1C(=O)N1C[C@H]2C[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269879483 1072651561 /nfs/dbraw/zinc/65/15/61/1072651561.db2.gz QGKDDVDPSQWSMU-DTORHVGOSA-N 0 0 380.455 -0.899 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CN(C(=O)c1ccc(=O)[nH]n1)C2 ZINC001269879496 1072651474 /nfs/dbraw/zinc/65/14/74/1072651474.db2.gz QOMMOEQBJJHNOT-UHFFFAOYSA-N 0 0 393.450 -0.673 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(CCN2C(=O)c2ccc(=O)[nH]n2)C1 ZINC001269879659 1072651696 /nfs/dbraw/zinc/65/16/96/1072651696.db2.gz SNCNFZQAOIZVQV-UHFFFAOYSA-N 0 0 393.450 -0.531 20 10 GBCDRN Cn1ncnc1C(=O)N1CCC2(CN(C(=O)CN3C(=O)CSC3=S)C2)C1 ZINC001269879891 1072652443 /nfs/dbraw/zinc/65/24/43/1072652443.db2.gz WHSNUOYXCUJKSN-UHFFFAOYSA-N 0 0 394.482 -0.650 20 10 GBCDRN Cn1ncnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269879939 1072652289 /nfs/dbraw/zinc/65/22/89/1072652289.db2.gz XCEBJVWDRUDCGG-AOOOYVTPSA-N 0 0 394.482 -0.509 20 10 GBCDRN Cn1ncnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001269880065 1072654021 /nfs/dbraw/zinc/65/40/21/1072654021.db2.gz ZBSJZMVWPBVVJO-UWVGGRQHSA-N 0 0 394.482 -0.509 20 10 GBCDRN Cn1ncnc1C(=O)N1CCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269880100 1072654036 /nfs/dbraw/zinc/65/40/36/1072654036.db2.gz ZTVRBXASNYQHDD-UHFFFAOYSA-N 0 0 380.455 -0.898 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269897212 1072661845 /nfs/dbraw/zinc/66/18/45/1072661845.db2.gz DDDHWPRZIYIZMZ-AOOOYVTPSA-N 0 0 392.528 -0.672 20 10 GBCDRN COCCOCN1C[C@@H]2COC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269897359 1072662487 /nfs/dbraw/zinc/66/24/87/1072662487.db2.gz DTABDIRLPDQFKK-TXEJJXNPSA-N 0 0 389.499 -0.621 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2CN(CCn3ccnc3)C[C@@H](C1)O2 ZINC001269897583 1072662455 /nfs/dbraw/zinc/66/24/55/1072662455.db2.gz GFNMRMBUBNBQIV-BETUJISGSA-N 0 0 395.510 -0.345 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2COC[C@H](C1)N2Cc1cn[nH]c1 ZINC001269897595 1072662596 /nfs/dbraw/zinc/66/25/96/1072662596.db2.gz GOCDEUBMZLCQQY-TXEJJXNPSA-N 0 0 381.483 -0.318 20 10 GBCDRN CN(C)S(=O)(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001269897640 1072662388 /nfs/dbraw/zinc/66/23/88/1072662388.db2.gz GRRHDPIJZVZCAV-UWVGGRQHSA-N 0 0 392.528 -0.672 20 10 GBCDRN CC(C)NC(=O)N1C[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H](C1)O2 ZINC001269897669 1072662472 /nfs/dbraw/zinc/66/24/72/1072662472.db2.gz HNIACEKJBGHCRB-PHIMTYICSA-N 0 0 386.499 -0.124 20 10 GBCDRN COCCOCN1C[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H](C1)O2 ZINC001269897676 1072662654 /nfs/dbraw/zinc/66/26/54/1072662654.db2.gz HWKGSSJINSZHRX-TXEJJXNPSA-N 0 0 389.499 -0.621 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2COC[C@H](C1)N2CCn1ccnc1 ZINC001269897692 1072662584 /nfs/dbraw/zinc/66/25/84/1072662584.db2.gz IGJBAJXYUVXOTP-BETUJISGSA-N 0 0 395.510 -0.345 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)[C@@H]2C1 ZINC001269897725 1072662485 /nfs/dbraw/zinc/66/24/85/1072662485.db2.gz IQIPJJXRJHLOIO-VHSXEESVSA-N 0 0 392.528 -0.814 20 10 GBCDRN CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]21 ZINC001269897995 1072662442 /nfs/dbraw/zinc/66/24/42/1072662442.db2.gz MDQCAIVFXUDWFV-MNOVXSKESA-N 0 0 386.499 -0.124 20 10 GBCDRN CC(C)NC(=O)N1CCO[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 ZINC001269897996 1072662621 /nfs/dbraw/zinc/66/26/21/1072662621.db2.gz MDQCAIVFXUDWFV-QWRGUYRKSA-N 0 0 386.499 -0.124 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001269898009 1072663262 /nfs/dbraw/zinc/66/32/62/1072663262.db2.gz MHNPACARRZGJNN-NEPJUHHUSA-N 0 0 381.483 -0.318 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001269898010 1072663345 /nfs/dbraw/zinc/66/33/45/1072663345.db2.gz MHNPACARRZGJNN-RYUDHWBXSA-N 0 0 381.483 -0.318 20 10 GBCDRN CC(C)NC(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S ZINC001269898024 1072663468 /nfs/dbraw/zinc/66/34/68/1072663468.db2.gz MSXXWXDCAIYISF-PHIMTYICSA-N 0 0 386.499 -0.124 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898179 1072663255 /nfs/dbraw/zinc/66/32/55/1072663255.db2.gz OPMGWEHBBSQYSF-ZJUUUORDSA-N 0 0 392.528 -0.814 20 10 GBCDRN CN(C)S(=O)(=O)N1CCC2(CN(C(=O)CN3C(=O)CSC3=S)C2)C1 ZINC001269898289 1072663410 /nfs/dbraw/zinc/66/34/10/1072663410.db2.gz QRBPQKWTRUMOMJ-UHFFFAOYSA-N 0 0 392.528 -0.813 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2CN(Cc3cn[nH]c3)C[C@@H](C1)O2 ZINC001269898372 1072663178 /nfs/dbraw/zinc/66/31/78/1072663178.db2.gz RFMYEXGDBYROJV-TXEJJXNPSA-N 0 0 381.483 -0.318 20 10 GBCDRN CN(C)C(=O)CN1CC2(C1)CCN(C(=O)CN1C(=O)CSC1=S)CC2 ZINC001269898417 1072663290 /nfs/dbraw/zinc/66/32/90/1072663290.db2.gz SRIADUMDBGLVEN-UHFFFAOYSA-N 0 0 384.527 -0.141 20 10 GBCDRN COCCOCN1CCO[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]21 ZINC001269898577 1072663283 /nfs/dbraw/zinc/66/32/83/1072663283.db2.gz UWRKXJKDCYDMBY-NEPJUHHUSA-N 0 0 389.499 -0.621 20 10 GBCDRN COCCOCN1CCO[C@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 ZINC001269898578 1072663132 /nfs/dbraw/zinc/66/31/32/1072663132.db2.gz UWRKXJKDCYDMBY-RYUDHWBXSA-N 0 0 389.499 -0.621 20 10 GBCDRN CN(C)C(=O)CN1CC2(C1)CCCN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001269898674 1072663366 /nfs/dbraw/zinc/66/33/66/1072663366.db2.gz YTCWADFRCPRNEB-UHFFFAOYSA-N 0 0 384.527 -0.141 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2[C@H](C1)OCCN2CCn1ccnc1 ZINC001269898703 1072663522 /nfs/dbraw/zinc/66/35/22/1072663522.db2.gz ZPBLSZABGJQHDC-OLZOCXBDSA-N 0 0 395.510 -0.345 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2OCCN(CCn3ccnc3)[C@H]2C1 ZINC001269898704 1072663512 /nfs/dbraw/zinc/66/35/12/1072663512.db2.gz ZPBLSZABGJQHDC-STQMWFEESA-N 0 0 395.510 -0.345 20 10 GBCDRN COCCCN1CC2(CN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270044454 1072728986 /nfs/dbraw/zinc/72/89/86/1072728986.db2.gz AHFGCEDPQVWYHW-UHFFFAOYSA-N 0 0 387.483 -0.677 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)COCC(=O)N2Cc1cnoc1 ZINC001270044546 1072728946 /nfs/dbraw/zinc/72/89/46/1072728946.db2.gz BXJKTTBKIKQMBG-UHFFFAOYSA-N 0 0 396.450 -0.525 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@]2(F)C(=O)N(C3COC3)C[C@@]2(F)C1 ZINC001270044563 1072729374 /nfs/dbraw/zinc/72/93/74/1072729374.db2.gz CJQUVZDRINYFNP-UONOGXRCSA-N 0 0 391.421 -0.654 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCC[C@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001270044720 1072730217 /nfs/dbraw/zinc/73/02/17/1072730217.db2.gz FGTBLDDXPOOJKW-INIZCTEOSA-N 0 0 397.478 -0.387 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCC[C@@]2(CC(=O)N(C3COC3)C2=O)C1 ZINC001270044721 1072729930 /nfs/dbraw/zinc/72/99/30/1072729930.db2.gz FGTBLDDXPOOJKW-MRXNPFEDSA-N 0 0 397.478 -0.387 20 10 GBCDRN CCOCCN1C(=O)COCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270044805 1072727687 /nfs/dbraw/zinc/72/76/87/1072727687.db2.gz GSMPMMWUMRFGPI-UHFFFAOYSA-N 0 0 387.483 -0.677 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001270044874 1072727761 /nfs/dbraw/zinc/72/77/61/1072727761.db2.gz IHQVXJANYGOFSL-AWEZNQCLSA-N 0 0 393.437 -0.058 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(CC(F)F)C(=O)CO2 ZINC001270044875 1072727486 /nfs/dbraw/zinc/72/74/86/1072727486.db2.gz IHQVXJANYGOFSL-CQSZACIVSA-N 0 0 393.437 -0.058 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CN(CC(F)F)C(=O)CO2 ZINC001270044945 1072728410 /nfs/dbraw/zinc/72/84/10/1072728410.db2.gz KKMSNCDATYWECN-UHFFFAOYSA-N 0 0 379.410 -0.448 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CN(Cc1cnoc1)C(=O)CO2 ZINC001270044997 1072728205 /nfs/dbraw/zinc/72/82/05/1072728205.db2.gz MIDPGWPWPSOALY-UHFFFAOYSA-N 0 0 396.450 -0.525 20 10 GBCDRN CC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045015 1072728579 /nfs/dbraw/zinc/72/85/79/1072728579.db2.gz MQCWWHVIOXTPMA-SECBINFHSA-N 0 0 385.467 -0.736 20 10 GBCDRN CC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045016 1072728122 /nfs/dbraw/zinc/72/81/22/1072728122.db2.gz MQCWWHVIOXTPMA-VIFPVBQESA-N 0 0 385.467 -0.736 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)COCC(=O)N2CC(F)F ZINC001270045032 1072728573 /nfs/dbraw/zinc/72/85/73/1072728573.db2.gz NDFJLAJVOQQCFY-UHFFFAOYSA-N 0 0 379.410 -0.448 20 10 GBCDRN CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045046 1072728428 /nfs/dbraw/zinc/72/84/28/1072728428.db2.gz NLDOVIAXXLZUMG-HWPZZCPQSA-N 0 0 398.510 -0.438 20 10 GBCDRN CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045048 1072728543 /nfs/dbraw/zinc/72/85/43/1072728543.db2.gz NLDOVIAXXLZUMG-MGPLVRAMSA-N 0 0 398.510 -0.438 20 10 GBCDRN CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045050 1072728388 /nfs/dbraw/zinc/72/83/88/1072728388.db2.gz NLDOVIAXXLZUMG-QFYYESIMSA-N 0 0 398.510 -0.438 20 10 GBCDRN CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045052 1072728105 /nfs/dbraw/zinc/72/81/05/1072728105.db2.gz NLDOVIAXXLZUMG-QLJPJBMISA-N 0 0 398.510 -0.438 20 10 GBCDRN CCNC(=O)CN1CC[C@@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045312 1072728017 /nfs/dbraw/zinc/72/80/17/1072728017.db2.gz QTTFYFIJWSHXHZ-INIZCTEOSA-N 0 0 398.510 -0.424 20 10 GBCDRN CCNC(=O)CN1CC[C@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045313 1072728523 /nfs/dbraw/zinc/72/85/23/1072728523.db2.gz QTTFYFIJWSHXHZ-MRXNPFEDSA-N 0 0 398.510 -0.424 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001270045333 1072728271 /nfs/dbraw/zinc/72/82/71/1072728271.db2.gz RSKIDIGUZVHZQE-UHFFFAOYSA-N 0 0 397.400 -0.151 20 10 GBCDRN CC(=O)[C@@H](C)N1CC2(CN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045527 1072728082 /nfs/dbraw/zinc/72/80/82/1072728082.db2.gz UJYRBSBJSVSYBT-SECBINFHSA-N 0 0 385.467 -0.736 20 10 GBCDRN CC(=O)[C@H](C)N1CC2(CN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045528 1072728318 /nfs/dbraw/zinc/72/83/18/1072728318.db2.gz UJYRBSBJSVSYBT-VIFPVBQESA-N 0 0 385.467 -0.736 20 10 GBCDRN CC[C@H](C(N)=O)N1CC[C@@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045546 1072728167 /nfs/dbraw/zinc/72/81/67/1072728167.db2.gz VBORBIAJZNUTRB-HWPZZCPQSA-N 0 0 398.510 -0.296 20 10 GBCDRN CC[C@@H](C(N)=O)N1CC[C@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045547 1072728113 /nfs/dbraw/zinc/72/81/13/1072728113.db2.gz VBORBIAJZNUTRB-MGPLVRAMSA-N 0 0 398.510 -0.296 20 10 GBCDRN CC[C@@H](C(N)=O)N1CC[C@@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045548 1072728153 /nfs/dbraw/zinc/72/81/53/1072728153.db2.gz VBORBIAJZNUTRB-QFYYESIMSA-N 0 0 398.510 -0.296 20 10 GBCDRN CC[C@H](C(N)=O)N1CC[C@]2(CCCN2C(=O)CN2C(=O)CSC2=S)C1=O ZINC001270045549 1072728548 /nfs/dbraw/zinc/72/85/48/1072728548.db2.gz VBORBIAJZNUTRB-QLJPJBMISA-N 0 0 398.510 -0.296 20 10 GBCDRN CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001270045576 1072728191 /nfs/dbraw/zinc/72/81/91/1072728191.db2.gz VVTMUINZDGRUHV-GHMZBOCLSA-N 0 0 398.510 -0.425 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001270045593 1072728223 /nfs/dbraw/zinc/72/82/23/1072728223.db2.gz WJOKNRYNWBOHKO-UHFFFAOYSA-N 0 0 397.400 -0.151 20 10 GBCDRN CCNC(=O)CN1CC[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045609 1072728441 /nfs/dbraw/zinc/72/84/41/1072728441.db2.gz WSZIRLOOPQOEGP-INIZCTEOSA-N 0 0 398.510 -0.566 20 10 GBCDRN CCNC(=O)CN1CC[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1=O ZINC001270045610 1072728140 /nfs/dbraw/zinc/72/81/40/1072728140.db2.gz WSZIRLOOPQOEGP-MRXNPFEDSA-N 0 0 398.510 -0.566 20 10 GBCDRN CCOCCN1CC2(CN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045620 1072728398 /nfs/dbraw/zinc/72/83/98/1072728398.db2.gz WZIHHDNFYSRPED-UHFFFAOYSA-N 0 0 387.483 -0.677 20 10 GBCDRN CC[C@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001270045745 1072728044 /nfs/dbraw/zinc/72/80/44/1072728044.db2.gz XSUDQAZIWZLENI-GMTAPVOTSA-N 0 0 398.510 -0.298 20 10 GBCDRN CC[C@@H](C(N)=O)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001270045746 1072728585 /nfs/dbraw/zinc/72/85/85/1072728585.db2.gz XSUDQAZIWZLENI-HBNTYKKESA-N 0 0 398.510 -0.298 20 10 GBCDRN CC(=O)[C@@H](C)N1C[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045779 1072728182 /nfs/dbraw/zinc/72/81/82/1072728182.db2.gz YNKSSKQYJJAIKS-HWPZZCPQSA-N 0 0 399.494 -0.346 20 10 GBCDRN CC(=O)[C@H](C)N1C[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045780 1072728134 /nfs/dbraw/zinc/72/81/34/1072728134.db2.gz YNKSSKQYJJAIKS-MGPLVRAMSA-N 0 0 399.494 -0.346 20 10 GBCDRN CC(=O)[C@H](C)N1C[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045781 1072728070 /nfs/dbraw/zinc/72/80/70/1072728070.db2.gz YNKSSKQYJJAIKS-QFYYESIMSA-N 0 0 399.494 -0.346 20 10 GBCDRN CC(=O)[C@@H](C)N1C[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)OCC1=O ZINC001270045782 1072728590 /nfs/dbraw/zinc/72/85/90/1072728590.db2.gz YNKSSKQYJJAIKS-QLJPJBMISA-N 0 0 399.494 -0.346 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCOC[C@@]2(CC(=O)N(C3COC3)C2)C1 ZINC001270045812 1072728303 /nfs/dbraw/zinc/72/83/03/1072728303.db2.gz YYSRCVSWPFHQLY-INIZCTEOSA-N 0 0 399.494 -0.677 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCOC[C@]2(CC(=O)N(C3COC3)C2)C1 ZINC001270045818 1072728176 /nfs/dbraw/zinc/72/81/76/1072728176.db2.gz YYSRCVSWPFHQLY-MRXNPFEDSA-N 0 0 399.494 -0.677 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001270045935 1072728052 /nfs/dbraw/zinc/72/80/52/1072728052.db2.gz ZLGUTIDVTNEJHP-HNNXBMFYSA-N 0 0 385.467 -0.925 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@]2(C1)CN(C1COC1)C(=O)CO2 ZINC001270045936 1072728365 /nfs/dbraw/zinc/72/83/65/1072728365.db2.gz ZLGUTIDVTNEJHP-OAHLLOKOSA-N 0 0 385.467 -0.925 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCC2(C[C@@H]2C(=O)NC2COC2)CC1 ZINC001270045937 1072728489 /nfs/dbraw/zinc/72/84/89/1072728489.db2.gz ZNCCNOJIXBNHLO-LLVKDONJSA-N 0 0 383.495 -0.010 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCC2(C[C@H]2C(=O)NC2COC2)CC1 ZINC001270045938 1072728554 /nfs/dbraw/zinc/72/85/54/1072728554.db2.gz ZNCCNOJIXBNHLO-NSHDSACASA-N 0 0 383.495 -0.010 20 10 GBCDRN COCCCN1C(=O)COCC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001270045940 1072729493 /nfs/dbraw/zinc/72/94/93/1072729493.db2.gz ZVVDMWFDDSWPBK-UHFFFAOYSA-N 0 0 387.483 -0.677 20 10 GBCDRN O=C(CCCN1C(=O)CSC1=S)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001270287151 1072860266 /nfs/dbraw/zinc/86/02/66/1072860266.db2.gz VPFLQTGUMKCBML-UHFFFAOYSA-N 0 0 399.494 -0.535 20 10 GBCDRN O=C(CCCN1C(=O)CSC1=S)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001270287333 1072860457 /nfs/dbraw/zinc/86/04/57/1072860457.db2.gz ZYHQTQFRNDMCKV-UHFFFAOYSA-N 0 0 399.494 -0.535 20 10 GBCDRN Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4cccc(O)c4O)C3)C2)c1 ZINC001271241342 1073416063 /nfs/dbraw/zinc/41/60/63/1073416063.db2.gz AEJBMEGAIKAPNL-UHFFFAOYSA-N 0 0 378.410 -0.022 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001271514971 1073500608 /nfs/dbraw/zinc/50/06/08/1073500608.db2.gz GJMPYSSGFDVRPZ-JDNHERCYSA-N 0 0 384.410 -0.574 20 10 GBCDRN CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3ccc(O)c(O)c3O)(C1)C2 ZINC001271515460 1073500547 /nfs/dbraw/zinc/50/05/47/1073500547.db2.gz QDAXZAIBZBYGLO-UHFFFAOYSA-N 0 0 384.410 -0.383 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001271515713 1073500289 /nfs/dbraw/zinc/50/02/89/1073500289.db2.gz ZCGHWSPGPONMOF-JTQLQIEISA-N 0 0 384.410 -0.574 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1ccc(O)c(O)c1O)C2 ZINC001271515714 1073500462 /nfs/dbraw/zinc/50/04/62/1073500462.db2.gz ZCGHWSPGPONMOF-SNVBAGLBSA-N 0 0 384.410 -0.574 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1ccc(O)c(O)c1O ZINC001271515721 1073500356 /nfs/dbraw/zinc/50/03/56/1073500356.db2.gz ZFSKQTWZNBZLPS-ABKXIKBNSA-N 0 0 384.410 -0.431 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(O)c(O)c1O ZINC001271515724 1073500407 /nfs/dbraw/zinc/50/04/07/1073500407.db2.gz ZFSKQTWZNBZLPS-XXFAHNHDSA-N 0 0 384.410 -0.431 20 10 GBCDRN CS(=O)(=O)CCNC(=O)C12CC(NC(=O)c3cc(O)c(O)c(O)c3)(C1)C2 ZINC001271519216 1073499564 /nfs/dbraw/zinc/49/95/64/1073499564.db2.gz JCCGIGZPCGQOIG-UHFFFAOYSA-N 0 0 384.410 -0.383 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001271521057 1073499761 /nfs/dbraw/zinc/49/97/61/1073499761.db2.gz RNQPDRAFJQOZOU-QLJPJBMISA-N 0 0 384.410 -0.574 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001271522225 1073499730 /nfs/dbraw/zinc/49/97/30/1073499730.db2.gz XGFWGYBAMZSJGA-HWPZZCPQSA-N 0 0 384.410 -0.431 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(O)c(O)c(O)c1 ZINC001271522226 1073499628 /nfs/dbraw/zinc/49/96/28/1073499628.db2.gz XGFWGYBAMZSJGA-MGPLVRAMSA-N 0 0 384.410 -0.431 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@@H]1CC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001271522364 1073499693 /nfs/dbraw/zinc/49/96/93/1073499693.db2.gz ZTYVJEUJOVCBRX-JTQLQIEISA-N 0 0 384.410 -0.574 20 10 GBCDRN CS(=O)(=O)CCNC(=O)[C@H]1CC12CN(C(=O)c1cc(O)c(O)c(O)c1)C2 ZINC001271522365 1073499752 /nfs/dbraw/zinc/49/97/52/1073499752.db2.gz ZTYVJEUJOVCBRX-SNVBAGLBSA-N 0 0 384.410 -0.574 20 10 GBCDRN Cn1nnnc1NC(=O)C12CC(NC(=O)CN3C(=O)CSC3=S)(C1)C2 ZINC001271836249 1073600321 /nfs/dbraw/zinc/60/03/21/1073600321.db2.gz BYHAGGZDEMEFAJ-UHFFFAOYSA-N 0 0 381.443 -0.952 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C(C(=O)Nc3nnco3)=NO[C@@H]2C1 ZINC001271836398 1073600954 /nfs/dbraw/zinc/60/09/54/1073600954.db2.gz GOSJXCBPZCFWKH-NKWVEPMBSA-N 0 0 396.410 -0.918 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C(C(=O)Nc3cn[nH]c3)=NO[C@@H]2C1 ZINC001271836432 1073601543 /nfs/dbraw/zinc/60/15/43/1073601543.db2.gz HHUYWPQCYYBVSP-DTWKUNHWSA-N 0 0 394.438 -0.578 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@@H](C(=O)Nc1cn[nH]c1)O2 ZINC001271836629 1073601625 /nfs/dbraw/zinc/60/16/25/1073601625.db2.gz JYEVTRNEWKMLBP-JTQLQIEISA-N 0 0 395.466 -0.032 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@H](C(=O)Nc1cn[nH]c1)O2 ZINC001271836630 1073601617 /nfs/dbraw/zinc/60/16/17/1073601617.db2.gz JYEVTRNEWKMLBP-SNVBAGLBSA-N 0 0 395.466 -0.032 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@H](C(=O)Nc1nnco1)O2 ZINC001271836678 1073601070 /nfs/dbraw/zinc/60/10/70/1073601070.db2.gz KZWLUJBPAQFLCW-MRVPVSSYSA-N 0 0 397.438 -0.372 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@@H](C(=O)Nc1nnco1)O2 ZINC001271836679 1073601354 /nfs/dbraw/zinc/60/13/54/1073601354.db2.gz KZWLUJBPAQFLCW-QMMMGPOBSA-N 0 0 397.438 -0.372 20 10 GBCDRN CC(C)(C)NC(=O)C1=NO[C@@H]2CN(C(=O)CN3C(=O)CSC3=S)C[C@H]12 ZINC001271837440 1073602101 /nfs/dbraw/zinc/60/21/01/1073602101.db2.gz PQWSSULVZFMKDR-DTWKUNHWSA-N 0 0 384.483 -0.025 20 10 GBCDRN C[C@@H]1Cc2nnc(C(=O)N(C)C)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271840773 1073605169 /nfs/dbraw/zinc/60/51/69/1073605169.db2.gz BGADXXZRJNFIHU-SECBINFHSA-N 0 0 396.498 -0.387 20 10 GBCDRN C[C@H]1Cc2nnc(C(=O)N(C)C)n2CCN1C(=O)CN1C(=O)CSC1=S ZINC001271840774 1073605444 /nfs/dbraw/zinc/60/54/44/1073605444.db2.gz BGADXXZRJNFIHU-VIFPVBQESA-N 0 0 396.498 -0.387 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@H](C(=O)NCC1COC1)O2 ZINC001271840787 1073605311 /nfs/dbraw/zinc/60/53/11/1073605311.db2.gz BSZXIBCBLVMFOO-LLVKDONJSA-N 0 0 399.494 -0.631 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@@H](C(=O)NCC1COC1)O2 ZINC001271840788 1073605542 /nfs/dbraw/zinc/60/55/42/1073605542.db2.gz BSZXIBCBLVMFOO-NSHDSACASA-N 0 0 399.494 -0.631 20 10 GBCDRN CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271840992 1073605557 /nfs/dbraw/zinc/60/55/57/1073605557.db2.gz FMJHVHKJZZCPQB-BJOHPYRUSA-N 0 0 384.483 -0.958 20 10 GBCDRN CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271840993 1073605423 /nfs/dbraw/zinc/60/54/23/1073605423.db2.gz FMJHVHKJZZCPQB-PSLIRLAXSA-N 0 0 384.483 -0.958 20 10 GBCDRN Cn1nccc1CNC(=O)[C@H]1CC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841148 1073605570 /nfs/dbraw/zinc/60/55/70/1073605570.db2.gz IBPHWWKGLFCPGF-LLVKDONJSA-N 0 0 393.494 -0.255 20 10 GBCDRN Cn1nccc1CNC(=O)[C@@H]1CC12CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841149 1073605474 /nfs/dbraw/zinc/60/54/74/1073605474.db2.gz IBPHWWKGLFCPGF-NSHDSACASA-N 0 0 393.494 -0.255 20 10 GBCDRN Cc1nc(CNC(=O)[C@H]2CC23CN(C(=O)CN2C(=O)CSC2=S)C3)no1 ZINC001271841260 1073605547 /nfs/dbraw/zinc/60/55/47/1073605547.db2.gz IYZPJSMYSHAMIB-SECBINFHSA-N 0 0 395.466 -0.297 20 10 GBCDRN Cc1nc(CNC(=O)[C@@H]2CC23CN(C(=O)CN2C(=O)CSC2=S)C3)no1 ZINC001271841263 1073605564 /nfs/dbraw/zinc/60/55/64/1073605564.db2.gz IYZPJSMYSHAMIB-VIFPVBQESA-N 0 0 395.466 -0.297 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2C[C@@]21C(=O)NCCn1ccnn1 ZINC001271841267 1073606354 /nfs/dbraw/zinc/60/63/54/1073606354.db2.gz JCNHHTVHIKDGKZ-BMIGLBTASA-N 0 0 394.482 -0.754 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[C@]21C(=O)NCCn1ccnn1 ZINC001271841273 1073606366 /nfs/dbraw/zinc/60/63/66/1073606366.db2.gz JCNHHTVHIKDGKZ-ZUZCIYMTSA-N 0 0 394.482 -0.754 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)NC12CC(C(=O)N3CC4(CC(O)C4)C3)(C1)C2 ZINC001271841298 1073606188 /nfs/dbraw/zinc/60/61/88/1073606188.db2.gz JKMJWODTRQSAET-UHFFFAOYSA-N 0 0 395.506 -0.131 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001271841339 1073606461 /nfs/dbraw/zinc/60/64/61/1073606461.db2.gz KDHSKUQCMZQVDP-BMLIUANNSA-N 0 0 395.506 -0.322 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)NC12CC(C(=O)NCc3c[nH]cn3)(C1)C2 ZINC001271841351 1073606211 /nfs/dbraw/zinc/60/62/11/1073606211.db2.gz KLCYGGDRWVAKKP-UHFFFAOYSA-N 0 0 379.467 -0.075 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C(C(=O)N3CC=CC3)=NO[C@@H]2C1 ZINC001271841353 1073606101 /nfs/dbraw/zinc/60/61/01/1073606101.db2.gz KMXKKAKFIDCFEK-VHSXEESVSA-N 0 0 380.451 -0.542 20 10 GBCDRN COCCN(C)C(=O)c1n[nH]c2c1CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841418 1073606343 /nfs/dbraw/zinc/60/63/43/1073606343.db2.gz LLDSUGPRZNFGGZ-UHFFFAOYSA-N 0 0 397.482 -0.169 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@@]2(C(=O)NCc2c[nH]cn2)C1 ZINC001271841534 1073606371 /nfs/dbraw/zinc/60/63/71/1073606371.db2.gz NULIYCJZVSWGDN-RFAUZJTJSA-N 0 0 379.467 -0.265 20 10 GBCDRN Cn1nccc1CNC(=O)[C@@]12C[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 ZINC001271841556 1073606335 /nfs/dbraw/zinc/60/63/35/1073606335.db2.gz OGOITLDPFMIIAQ-QLJPJBMISA-N 0 0 393.494 -0.255 20 10 GBCDRN CN(C)C(=O)CNC(=O)C12CC(NC(=O)CN3C(=O)CSC3=S)(C1)C2 ZINC001271841558 1073606467 /nfs/dbraw/zinc/60/64/67/1073606467.db2.gz OJJUPCNSKBZFFH-UHFFFAOYSA-N 0 0 384.483 -0.910 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@H]2C(=O)NCCn2ccnn2)C1 ZINC001271841589 1073606409 /nfs/dbraw/zinc/60/64/09/1073606409.db2.gz PHVZACYUMVFIGE-JTQLQIEISA-N 0 0 394.482 -0.897 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@@H]2C(=O)NCCn2ccnn2)C1 ZINC001271841590 1073606155 /nfs/dbraw/zinc/60/61/55/1073606155.db2.gz PHVZACYUMVFIGE-SNVBAGLBSA-N 0 0 394.482 -0.897 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CCn2c(nnc2C(=O)N2CC=CC2)C1 ZINC001271841596 1073606262 /nfs/dbraw/zinc/60/62/62/1073606262.db2.gz POJMAAXVDCGIAZ-UHFFFAOYSA-N 0 0 392.466 -0.507 20 10 GBCDRN Cc1nc(CNC(=O)C23CC(NC(=O)CN4C(=O)CSC4=S)(C2)C3)no1 ZINC001271841599 1073606320 /nfs/dbraw/zinc/60/63/20/1073606320.db2.gz PTMJZTWPIKQLKR-UHFFFAOYSA-N 0 0 395.466 -0.107 20 10 GBCDRN Cc1nc(CNC(=O)[C@@]23C[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)no1 ZINC001271841602 1073606330 /nfs/dbraw/zinc/60/63/30/1073606330.db2.gz QCVKZYWKDYMKMX-RFAUZJTJSA-N 0 0 395.466 -0.297 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1Cc2n[nH]c(C(=O)NCC3COC3)c2C1 ZINC001271841664 1073606200 /nfs/dbraw/zinc/60/62/00/1073606200.db2.gz RGNOPPCSOZGOAJ-UHFFFAOYSA-N 0 0 395.466 -0.512 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001271841788 1073606380 /nfs/dbraw/zinc/60/63/80/1073606380.db2.gz SRZICIJOOGOIGN-JTQLQIEISA-N 0 0 379.467 -0.265 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@@H]2C(=O)NCc2c[nH]cn2)C1 ZINC001271841789 1073606440 /nfs/dbraw/zinc/60/64/40/1073606440.db2.gz SRZICIJOOGOIGN-SNVBAGLBSA-N 0 0 379.467 -0.265 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[C@]21C(=O)NCc1c[nH]cn1 ZINC001271841857 1073606073 /nfs/dbraw/zinc/60/60/73/1073606073.db2.gz UTODGRKEFNBWPC-BJOHPYRUSA-N 0 0 379.467 -0.123 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2C[C@@]21C(=O)NCc1c[nH]cn1 ZINC001271841859 1073606268 /nfs/dbraw/zinc/60/62/68/1073606268.db2.gz UTODGRKEFNBWPC-PSLIRLAXSA-N 0 0 379.467 -0.123 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)NC12CC(C(=O)NCCn3ccnn3)(C1)C2 ZINC001271841868 1073606317 /nfs/dbraw/zinc/60/63/17/1073606317.db2.gz UWNSXDKPIVPZIW-UHFFFAOYSA-N 0 0 394.482 -0.707 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001271841872 1073606414 /nfs/dbraw/zinc/60/64/14/1073606414.db2.gz VAZBGNVMZYVTBX-LLVKDONJSA-N 0 0 395.506 -0.322 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C[C@H]2C(=O)N2CC3(CC(O)C3)C2)C1 ZINC001271841873 1073607118 /nfs/dbraw/zinc/60/71/18/1073607118.db2.gz VAZBGNVMZYVTBX-NSHDSACASA-N 0 0 395.506 -0.322 20 10 GBCDRN CN(C)C(=O)[C@H]1CCn2nccc2CN1C(=O)CN1C(=O)CSC1=S ZINC001271841913 1073607019 /nfs/dbraw/zinc/60/70/19/1073607019.db2.gz VNRAVMLTIMXGSO-LLVKDONJSA-N 0 0 381.483 -0.068 20 10 GBCDRN CN(C)C(=O)[C@@H]1CCn2nccc2CN1C(=O)CN1C(=O)CSC1=S ZINC001271841915 1073607125 /nfs/dbraw/zinc/60/71/25/1073607125.db2.gz VNRAVMLTIMXGSO-NSHDSACASA-N 0 0 381.483 -0.068 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@H]2C[C@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001271841921 1073607114 /nfs/dbraw/zinc/60/71/14/1073607114.db2.gz VOEARVNCTUKCSA-DYZYQPBXSA-N 0 0 395.506 -0.179 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC[C@@H]2C[C@@]21C(=O)N1CC2(CC(O)C2)C1 ZINC001271841923 1073607056 /nfs/dbraw/zinc/60/70/56/1073607056.db2.gz VOEARVNCTUKCSA-QGHHPUGFSA-N 0 0 395.506 -0.179 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C(C(=O)N3CCCCO3)=NO[C@@H]2C1 ZINC001271841978 1073607096 /nfs/dbraw/zinc/60/70/96/1073607096.db2.gz VQZRCPPAVWBYGP-VHSXEESVSA-N 0 0 398.466 -0.386 20 10 GBCDRN Cn1nccc1CNC(=O)[C@]12C[C@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271842017 1073607008 /nfs/dbraw/zinc/60/70/08/1073607008.db2.gz WYVMIGAQQIGQEK-HWPZZCPQSA-N 0 0 393.494 -0.112 20 10 GBCDRN Cn1nccc1CNC(=O)[C@@]12C[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S ZINC001271842018 1073607029 /nfs/dbraw/zinc/60/70/29/1073607029.db2.gz WYVMIGAQQIGQEK-MGPLVRAMSA-N 0 0 393.494 -0.112 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@H](C(=O)NCC(F)F)O2 ZINC001271842030 1073607109 /nfs/dbraw/zinc/60/71/09/1073607109.db2.gz XJENFGVOYYQRGC-MRVPVSSYSA-N 0 0 393.437 -0.012 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1CC2(C1)CC[C@@H](C(=O)NCC(F)F)O2 ZINC001271842031 1073607086 /nfs/dbraw/zinc/60/70/86/1073607086.db2.gz XJENFGVOYYQRGC-QMMMGPOBSA-N 0 0 393.437 -0.012 20 10 GBCDRN Cn1nccc1CNC(=O)C12CC(NC(=O)CN3C(=O)CSC3=S)(C1)C2 ZINC001271842049 1073607093 /nfs/dbraw/zinc/60/70/93/1073607093.db2.gz YDSDSDFMUGIQGH-UHFFFAOYSA-N 0 0 393.494 -0.065 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@@H]2C(C(=O)NCC(F)F)=NO[C@@H]2C1 ZINC001271842055 1073607033 /nfs/dbraw/zinc/60/70/33/1073607033.db2.gz YKFZPCBWPNJTLE-NKWVEPMBSA-N 0 0 392.409 -0.559 20 10 GBCDRN Cc1nc(CNC(=O)[C@@]23C[C@@H]2CCN3C(=O)CN2C(=O)CSC2=S)no1 ZINC001271842176 1073608365 /nfs/dbraw/zinc/60/83/65/1073608365.db2.gz ZKHIOMHUBAUFCR-BJOHPYRUSA-N 0 0 395.466 -0.154 20 10 GBCDRN Cc1nc(CNC(=O)[C@]23C[C@H]2CCN3C(=O)CN2C(=O)CSC2=S)no1 ZINC001271842178 1073607828 /nfs/dbraw/zinc/60/78/28/1073607828.db2.gz ZKHIOMHUBAUFCR-PSLIRLAXSA-N 0 0 395.466 -0.154 20 10 GBCDRN O=C(CN1C(=O)CSC1=S)N1C[C@H]2C[C@@]2(C(=O)NCCn2ccnn2)C1 ZINC001271842185 1073608147 /nfs/dbraw/zinc/60/81/47/1073608147.db2.gz ZMFPIUPOZUXKON-MEBBXXQBSA-N 0 0 394.482 -0.897 20 10 GBCDRN Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4ccc(O)c(O)c4)C3)C2)c1 ZINC001272002717 1073734922 /nfs/dbraw/zinc/73/49/22/1073734922.db2.gz KYSKMWOJTCGSMM-UHFFFAOYSA-N 0 0 378.410 -0.022 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccc(O)c(O)c1O ZINC001272047846 1073902192 /nfs/dbraw/zinc/90/21/92/1073902192.db2.gz CHVWGQFEGNZUSI-AOOOYVTPSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3ccc(O)c(O)c3O)C[C@@H](C1)O2 ZINC001272048524 1073903741 /nfs/dbraw/zinc/90/37/41/1073903741.db2.gz KCYONVORXUDPJG-AOOOYVTPSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc(O)c(O)c(O)c1 ZINC001272048536 1073903712 /nfs/dbraw/zinc/90/37/12/1073903712.db2.gz KGQRABWIQIDMGU-PHIMTYICSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1C[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H](C1)O2 ZINC001272048875 1073903349 /nfs/dbraw/zinc/90/33/49/1073903349.db2.gz OGBWPEVRFRGHAY-PHIMTYICSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001272049602 1073903624 /nfs/dbraw/zinc/90/36/24/1073903624.db2.gz SUJIBTFHVLYBBC-GWCFXTLKSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3cc(O)c(O)c(O)c3)C[C@H]21 ZINC001272049604 1073903172 /nfs/dbraw/zinc/90/31/72/1073903172.db2.gz SUJIBTFHVLYBBC-MFKMUULPSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(O)c(O)c3O)C[C@@H]21 ZINC001272050147 1073904697 /nfs/dbraw/zinc/90/46/97/1073904697.db2.gz XMGHJDNRBRWFHF-JQWIXIFHSA-N 0 0 387.414 -0.865 20 10 GBCDRN CN(C)S(=O)(=O)N1CCO[C@H]2CN(C(=O)c3ccc(O)c(O)c3O)C[C@H]21 ZINC001272050152 1073904814 /nfs/dbraw/zinc/90/48/14/1073904814.db2.gz XMGHJDNRBRWFHF-PWSUYJOCSA-N 0 0 387.414 -0.865 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCO[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001326568766 961110798 /nfs/dbraw/zinc/11/07/98/961110798.db2.gz VJXTVXBHDFWWHY-AEFFLSMTSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001326568767 961111580 /nfs/dbraw/zinc/11/15/80/961111580.db2.gz VJXTVXBHDFWWHY-FUHWJXTLSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCO[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001326568768 961111089 /nfs/dbraw/zinc/11/10/89/961111089.db2.gz VJXTVXBHDFWWHY-SJLPKXTDSA-N 0 0 379.457 -0.037 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@H](O)CN3CCO[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001326568769 961110033 /nfs/dbraw/zinc/11/00/33/961110033.db2.gz VJXTVXBHDFWWHY-WMZOPIPTSA-N 0 0 379.457 -0.037 20 10 GBCDRN CC(=O)N[C@H](C)C(=O)NCCC1=CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573484450 946216716 /nfs/dbraw/zinc/21/67/16/946216716.db2.gz LSOAFUXBBAPXPA-LLVKDONJSA-N 0 0 385.432 -0.176 20 10 GBCDRN CC(=O)N[C@@H](C)C(=O)NCCC1=CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573484454 946218792 /nfs/dbraw/zinc/21/87/92/946218792.db2.gz LSOAFUXBBAPXPA-NSHDSACASA-N 0 0 385.432 -0.176 20 10 GBCDRN COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](O)C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001599585172 993603772 /nfs/dbraw/zinc/60/37/72/993603772.db2.gz OANKMFKXQZWFQA-JQHSSLGASA-N 0 0 393.484 -0.055 20 10 GBCDRN COc1ccc(N2CCN(C[C@H](O)C[N@H+]3C[C@H](C(=O)[O-])C[C@H](O)C3)CC2)cc1 ZINC001599585173 993603636 /nfs/dbraw/zinc/60/36/36/993603636.db2.gz OANKMFKXQZWFQA-NJAFHUGGSA-N 0 0 393.484 -0.055 20 10 GBCDRN COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@H](O)C[C@@H](C(=O)[O-])C3)CC2)cc1 ZINC001599585174 993603355 /nfs/dbraw/zinc/60/33/55/993603355.db2.gz OANKMFKXQZWFQA-NXHRZFHOSA-N 0 0 393.484 -0.055 20 10 GBCDRN COc1ccc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](O)C[C@H](C(=O)[O-])C3)CC2)cc1 ZINC001599585175 993603717 /nfs/dbraw/zinc/60/37/17/993603717.db2.gz OANKMFKXQZWFQA-SZMVWBNQSA-N 0 0 393.484 -0.055 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@@H](O)CN3C[C@H](O)C[C@H]3C(=O)[O-])CC2)cc1 ZINC001599585535 993608289 /nfs/dbraw/zinc/60/82/89/993608289.db2.gz UOVPUVMRSHVVGK-NUJGCVRESA-N 0 0 379.457 -0.302 20 10 GBCDRN COc1ccc(N2CC[NH+](C[C@H](O)CN3C[C@H](O)C[C@H]3C(=O)[O-])CC2)cc1 ZINC001599585624 993609245 /nfs/dbraw/zinc/60/92/45/993609245.db2.gz UOVPUVMRSHVVGK-RYRKJORJSA-N 0 0 379.457 -0.302 20 10 GBCDRN CN(C)c1ccc(CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)cc1F ZINC001625951758 1073712396 /nfs/dbraw/zinc/71/23/96/1073712396.db2.gz NMTDYHKTMVRRDI-UHFFFAOYSA-N 0 0 377.376 -0.041 20 10 GBCDRN Cc1nn(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(=O)o1 ZINC001628920837 1070798236 /nfs/dbraw/zinc/79/82/36/1070798236.db2.gz CRAMFNZNYCSZEK-UHFFFAOYSA-N 0 0 380.426 -0.304 20 10 GBCDRN Cn1cnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1=O ZINC001628921567 1070797656 /nfs/dbraw/zinc/79/76/56/1070797656.db2.gz UYVKOFMRGQXORO-UHFFFAOYSA-N 0 0 376.438 -0.055 20 10 GBCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CCS(=O)(=O)C1 ZINC001628921596 1070798229 /nfs/dbraw/zinc/79/82/29/1070798229.db2.gz VPANFCWGLLAGGS-UHFFFAOYSA-N 0 0 384.479 -0.108 20 10 GBCDRN NS(=O)(=O)C1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC001629735978 1070834153 /nfs/dbraw/zinc/83/41/53/1070834153.db2.gz GNLZGEPXBQJTNP-UHFFFAOYSA-N 0 0 386.449 -0.031 20 10 GBCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001629879246 1070843666 /nfs/dbraw/zinc/84/36/66/1070843666.db2.gz KODMGGBQFFDNIZ-INIZCTEOSA-N 0 0 395.481 -0.575 20 10 GBCDRN CN(CCS(N)(=O)=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001629882201 1070844589 /nfs/dbraw/zinc/84/45/89/1070844589.db2.gz HUVXFYHNNWHXGW-AWEZNQCLSA-N 0 0 397.501 -0.182 20 10 GBCDRN CN(CCS(N)(=O)=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001629882202 1070844319 /nfs/dbraw/zinc/84/43/19/1070844319.db2.gz HUVXFYHNNWHXGW-CQSZACIVSA-N 0 0 397.501 -0.182 20 10 GBCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001630486240 1070872804 /nfs/dbraw/zinc/87/28/04/1070872804.db2.gz GHAOALOVQDVLEJ-LBPRGKRZSA-N 0 0 384.410 -0.803 20 10 GBCDRN CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001631221358 1070903206 /nfs/dbraw/zinc/90/32/06/1070903206.db2.gz LPLOKLQPXKGLIT-UHFFFAOYSA-N 0 0 397.501 -0.263 20 10 GBCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CS(=O)(=O)CCOC ZINC001632356291 1070937970 /nfs/dbraw/zinc/93/79/70/1070937970.db2.gz MDYBWTPNQYFJIL-LBPRGKRZSA-N 0 0 389.426 -0.251 20 10 GBCDRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001632399254 1070938752 /nfs/dbraw/zinc/93/87/52/1070938752.db2.gz OSBIZESNWHQNEO-KBPBESRZSA-N 0 0 382.438 -0.187 20 10 GBCDRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001632399255 1070938437 /nfs/dbraw/zinc/93/84/37/1070938437.db2.gz OSBIZESNWHQNEO-KGLIPLIRSA-N 0 0 382.438 -0.187 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)c1 ZINC001634427384 1071015739 /nfs/dbraw/zinc/01/57/39/1071015739.db2.gz FZFQDHJJEGDCQD-AWEZNQCLSA-N 0 0 399.469 -0.063 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@H](CN3CCOCC3)C2)c1 ZINC001634427385 1071016263 /nfs/dbraw/zinc/01/62/63/1071016263.db2.gz FZFQDHJJEGDCQD-CQSZACIVSA-N 0 0 399.469 -0.063 20 10 GBCDRN COc1ccc(N2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)c(OC)c1 ZINC001634885778 1071032906 /nfs/dbraw/zinc/03/29/06/1071032906.db2.gz BTUKQAKPJLUWGY-JFIYKMOQSA-N 0 0 378.425 -0.235 20 10 GBCDRN C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001634974001 1071035478 /nfs/dbraw/zinc/03/54/78/1071035478.db2.gz FIFGTEGKARKTRC-GFCCVEGCSA-N 0 0 382.486 -0.058 20 10 GBCDRN C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001634974002 1071035180 /nfs/dbraw/zinc/03/51/80/1071035180.db2.gz FIFGTEGKARKTRC-LBPRGKRZSA-N 0 0 382.486 -0.058 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)cc2)CC1 ZINC001634974076 1071035369 /nfs/dbraw/zinc/03/53/69/1071035369.db2.gz HYHDEKWSTDEIAA-KZNAEPCWSA-N 0 0 389.452 -0.583 20 10 GBCDRN C[C@@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC001635370081 1071044959 /nfs/dbraw/zinc/04/49/59/1071044959.db2.gz XFXUIHDEHUKIMO-HOTGVXAUSA-N 0 0 381.410 -0.112 20 10 GBCDRN C[C@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@]1(C)C(=O)NC2=O ZINC001635370082 1071046062 /nfs/dbraw/zinc/04/60/62/1071046062.db2.gz XFXUIHDEHUKIMO-HZPDHXFCSA-N 0 0 381.410 -0.112 20 10 GBCDRN C[C@]12CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC001635370083 1071045693 /nfs/dbraw/zinc/04/56/93/1071045693.db2.gz XFXUIHDEHUKIMO-IYBDPMFKSA-N 0 0 381.410 -0.112 20 10 GBCDRN COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001636797514 1071101422 /nfs/dbraw/zinc/10/14/22/1071101422.db2.gz RNFJUQGMXANORL-LLVKDONJSA-N 0 0 385.398 -0.781 20 10 GBCDRN COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001636797515 1071101461 /nfs/dbraw/zinc/10/14/61/1071101461.db2.gz RNFJUQGMXANORL-NSHDSACASA-N 0 0 385.398 -0.781 20 10 GBCDRN CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001637228924 1071122501 /nfs/dbraw/zinc/12/25/01/1071122501.db2.gz RLEFGQMTMYSUFL-INIZCTEOSA-N 0 0 385.486 -0.148 20 10 GBCDRN CS(=O)(=O)C[C@H](O)CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001637228925 1071122846 /nfs/dbraw/zinc/12/28/46/1071122846.db2.gz RLEFGQMTMYSUFL-MRXNPFEDSA-N 0 0 385.486 -0.148 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)Cn3ccc(=O)[nH]c3=O)cc2)CC1 ZINC001638489388 1071176065 /nfs/dbraw/zinc/17/60/65/1071176065.db2.gz YRRCFMZVYUQIID-UHFFFAOYSA-N 0 0 385.424 -0.033 20 10 GBCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001638653563 1071182774 /nfs/dbraw/zinc/18/27/74/1071182774.db2.gz TWKGBHKSIAMLBV-KBPBESRZSA-N 0 0 387.444 -0.171 20 10 GBCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001638653564 1071183180 /nfs/dbraw/zinc/18/31/80/1071183180.db2.gz TWKGBHKSIAMLBV-UONOGXRCSA-N 0 0 387.444 -0.171 20 10 GBCDRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1c(O)cccc1F ZINC001638864403 1071192980 /nfs/dbraw/zinc/19/29/80/1071192980.db2.gz ZTODRBBAUDZTEF-UHFFFAOYSA-N 0 0 375.422 -0.018 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCS(=O)(=O)N2CCCC2)c1 ZINC001639575621 1071219247 /nfs/dbraw/zinc/21/92/47/1071219247.db2.gz GTXSNURNSRJEMH-UHFFFAOYSA-N 0 0 391.471 -0.081 20 10 GBCDRN CNC(=O)NCCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001639741789 1071224236 /nfs/dbraw/zinc/22/42/36/1071224236.db2.gz LCIKHAOQYZUVAZ-BQYQJAHWSA-N 0 0 389.456 -0.055 20 10 GBCDRN CNC(=O)NCCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC001639741790 1071224387 /nfs/dbraw/zinc/22/43/87/1071224387.db2.gz LCIKHAOQYZUVAZ-FPLPWBNLSA-N 0 0 389.456 -0.055 20 10 GBCDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c(F)ccc(O)c1O)C2 ZINC001641467844 1071273312 /nfs/dbraw/zinc/27/33/12/1071273312.db2.gz JSBOPTPBSGTOCZ-UHFFFAOYSA-N 0 0 379.348 -0.661 20 10 GBCDRN COc1ccc(N2CCN(C(=O)C=CC(=O)Nn3ccc(=O)[nH]c3=O)CC2)cc1 ZINC001641661700 1071276970 /nfs/dbraw/zinc/27/69/70/1071276970.db2.gz CQRPNMXEGMAONW-SREVYHEPSA-N 0 0 399.407 -0.067 20 10 GBCDRN COc1ccc(N2CCN(C(=O)C=CC(=O)Nn3ccc(=O)[nH]c3=O)CC2)cc1 ZINC001641661701 1071276850 /nfs/dbraw/zinc/27/68/50/1071276850.db2.gz CQRPNMXEGMAONW-VOTSOKGWSA-N 0 0 399.407 -0.067 20 10 GBCDRN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001642155254 1071290408 /nfs/dbraw/zinc/29/04/08/1071290408.db2.gz KTBHVDVYRYMKDF-ZDUSSCGKSA-N 0 0 387.444 -0.545 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 ZINC001642873253 1071314000 /nfs/dbraw/zinc/31/40/00/1071314000.db2.gz VTPUFONXMYXQBA-INIZCTEOSA-N 0 0 399.425 -0.879 20 10 GBCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 ZINC001642873254 1071314032 /nfs/dbraw/zinc/31/40/32/1071314032.db2.gz VTPUFONXMYXQBA-MRXNPFEDSA-N 0 0 399.425 -0.879 20 10 GBCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001643351382 1071330676 /nfs/dbraw/zinc/33/06/76/1071330676.db2.gz TWKGBHKSIAMLBV-KGLIPLIRSA-N 0 0 387.444 -0.171 20 10 GBCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001643351383 1071330208 /nfs/dbraw/zinc/33/02/08/1071330208.db2.gz TWKGBHKSIAMLBV-ZIAGYGMSSA-N 0 0 387.444 -0.171 20 10 GBCDRN O=C(CN1CC[C@@H](O)[C@@H](CO)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001643449294 1071335703 /nfs/dbraw/zinc/33/57/03/1071335703.db2.gz GDUJMSLYAJFXFN-CRAIPNDOSA-N 0 0 381.448 -0.046 20 10 GBCDRN O=C(CN1CC[C@@H](O)[C@H](CO)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001643449295 1071335783 /nfs/dbraw/zinc/33/57/83/1071335783.db2.gz GDUJMSLYAJFXFN-MAUKXSAKSA-N 0 0 381.448 -0.046 20 10 GBCDRN O=C(CN1CC[C@H](O)[C@@H](CO)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001643449296 1071335313 /nfs/dbraw/zinc/33/53/13/1071335313.db2.gz GDUJMSLYAJFXFN-QAPCUYQASA-N 0 0 381.448 -0.046 20 10 GBCDRN O=C(CN1CC[C@H](O)[C@H](CO)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001643449297 1071335209 /nfs/dbraw/zinc/33/52/09/1071335209.db2.gz GDUJMSLYAJFXFN-YJBOKZPZSA-N 0 0 381.448 -0.046 20 10 GBCDRN CN(CCS(N)(=O)=O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001644377899 1071374212 /nfs/dbraw/zinc/37/42/12/1071374212.db2.gz LWVZIKBEGZSKBZ-UHFFFAOYSA-N 0 0 388.465 -0.501 20 10 GBCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC001644437353 1071376863 /nfs/dbraw/zinc/37/68/63/1071376863.db2.gz BCQHDBTWIWKXAC-ZDUSSCGKSA-N 0 0 375.433 -0.219 20 10 GBCDRN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCC(N)=O)CC2)cc1 ZINC001644652548 1071387780 /nfs/dbraw/zinc/38/77/80/1071387780.db2.gz XYEIOBCBISKOMC-UHFFFAOYSA-N 0 0 398.485 -0.471 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2)CC1 ZINC001644863436 1071399996 /nfs/dbraw/zinc/39/99/96/1071399996.db2.gz LMELETQJDKMIOY-HNNXBMFYSA-N 0 0 380.470 -0.304 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2)CC1 ZINC001644863437 1071400114 /nfs/dbraw/zinc/40/01/14/1071400114.db2.gz LMELETQJDKMIOY-OAHLLOKOSA-N 0 0 380.470 -0.304 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)CCn3cc[nH]c(=O)c3=O)cc2)CC1 ZINC001644863794 1071399533 /nfs/dbraw/zinc/39/95/33/1071399533.db2.gz SWHDHTJROJCJGW-UHFFFAOYSA-N 0 0 399.451 -0.055 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNC(=O)C3(S(N)(=O)=O)CC3)cc2)CC1 ZINC001644864136 1071399751 /nfs/dbraw/zinc/39/97/51/1071399751.db2.gz ZBJBPCFKMXALFM-UHFFFAOYSA-N 0 0 380.470 -0.174 20 10 GBCDRN Cn1c2ncn(CCC(=O)NCc3c(O)cccc3F)c2c(=O)n(C)c1=O ZINC001645048380 1071406562 /nfs/dbraw/zinc/40/65/62/1071406562.db2.gz TVVXCPLFRCUVPR-UHFFFAOYSA-N 0 0 375.360 -0.015 20 10 GBCDRN O=C(C[C@@H]1CC(=O)NC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001645139955 1071408806 /nfs/dbraw/zinc/40/88/06/1071408806.db2.gz YALUGBPHRGXXDZ-CYBMUJFWSA-N 0 0 379.438 -0.410 20 10 GBCDRN O=C(C[C@H]1CC(=O)NC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001645139956 1071408929 /nfs/dbraw/zinc/40/89/29/1071408929.db2.gz YALUGBPHRGXXDZ-ZDUSSCGKSA-N 0 0 379.438 -0.410 20 10 GBCDRN O=C(CC1C(=O)N=CNC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001645139972 1071408676 /nfs/dbraw/zinc/40/86/76/1071408676.db2.gz YMLPOWUMTDEMGS-UHFFFAOYSA-N 0 0 392.437 -0.019 20 10 GBCDRN CS(=O)(=O)C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001645733112 1071430425 /nfs/dbraw/zinc/43/04/25/1071430425.db2.gz DHFMDTNGIGHMBT-LLVKDONJSA-N 0 0 392.455 -0.351 20 10 GBCDRN CS(=O)(=O)C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1 ZINC001645733114 1071430472 /nfs/dbraw/zinc/43/04/72/1071430472.db2.gz DHFMDTNGIGHMBT-NSHDSACASA-N 0 0 392.455 -0.351 20 10 GBCDRN CO[C@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCS(=O)(=O)C1 ZINC001645834094 1071433229 /nfs/dbraw/zinc/43/32/29/1071433229.db2.gz LEXJAOQUTVTWII-AWEZNQCLSA-N 0 0 392.455 -0.303 20 10 GBCDRN CO[C@@]1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCS(=O)(=O)C1 ZINC001645834095 1071433409 /nfs/dbraw/zinc/43/34/09/1071433409.db2.gz LEXJAOQUTVTWII-CQSZACIVSA-N 0 0 392.455 -0.303 20 10 GBCDRN CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001648051143 1071466655 /nfs/dbraw/zinc/46/66/55/1071466655.db2.gz ROHUZZCNDCVIIW-UHFFFAOYSA-N 0 0 384.458 -0.390 20 10 GBCDRN O=C(NCc1cc(O)ccc1O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001651222930 1071517503 /nfs/dbraw/zinc/51/75/03/1071517503.db2.gz SDWAXIQJAMAVGY-LLVKDONJSA-N 0 0 381.410 -0.121 20 10 GBCDRN O=C(NCc1cc(O)ccc1O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001651222931 1071517512 /nfs/dbraw/zinc/51/75/12/1071517512.db2.gz SDWAXIQJAMAVGY-NSHDSACASA-N 0 0 381.410 -0.121 20 10 GBCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CC(CO)(CO)C3)CC2)cc1 ZINC001651649587 1071525775 /nfs/dbraw/zinc/52/57/75/1071525775.db2.gz JOQHWYYIDSNLTI-SREVYHEPSA-N 0 0 389.452 -0.287 20 10 GBCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CC(CO)(CO)C3)CC2)cc1 ZINC001651649588 1071525453 /nfs/dbraw/zinc/52/54/53/1071525453.db2.gz JOQHWYYIDSNLTI-VOTSOKGWSA-N 0 0 389.452 -0.287 20 10 GBCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001653050626 1071550759 /nfs/dbraw/zinc/55/07/59/1071550759.db2.gz YENCUNBLMOGDAK-JTQLQIEISA-N 0 0 386.451 -0.474 20 10 GBCDRN CC1=CC(NC(=O)c2ccco2)=S=C1C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001653050627 1071551137 /nfs/dbraw/zinc/55/11/37/1071551137.db2.gz YENCUNBLMOGDAK-SNVBAGLBSA-N 0 0 386.451 -0.474 20 10 GBCDRN NS(=O)(=O)C1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001653854145 1071567992 /nfs/dbraw/zinc/56/79/92/1071567992.db2.gz BPUFMLMLNXOGGY-UHFFFAOYSA-N 0 0 386.449 -0.749 20 10 GBCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(=O)[nH]c1=O ZINC001656146609 1071604483 /nfs/dbraw/zinc/60/44/83/1071604483.db2.gz XIHXAWFYAWVXIH-UHFFFAOYSA-N 0 0 394.453 -0.075 20 10 GBCDRN NS(=O)(=O)c1cn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1 ZINC001656686757 1071612268 /nfs/dbraw/zinc/61/22/68/1071612268.db2.gz FFFDANGBZQKTTN-UHFFFAOYSA-N 0 0 398.420 -0.782 20 10 GBCDRN COc1ccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)nn3)CC2)cc1 ZINC001656686977 1071612389 /nfs/dbraw/zinc/61/23/89/1071612389.db2.gz PIGNZUYAPFHCRR-UHFFFAOYSA-N 0 0 380.430 -0.717 20 10 GBCDRN CS(=O)(=O)c1ncnn1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001656835008 1071614385 /nfs/dbraw/zinc/61/43/85/1071614385.db2.gz SUZJZZFARLFJRA-UHFFFAOYSA-N 0 0 397.432 -0.026 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)cc2)C1 ZINC001660915224 1071648712 /nfs/dbraw/zinc/64/87/12/1071648712.db2.gz COZHNPKLCKQMEX-FVQBIDKESA-N 0 0 383.470 -0.433 20 10 GBCDRN NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)cc2)C1 ZINC001660915231 1071648672 /nfs/dbraw/zinc/64/86/72/1071648672.db2.gz COZHNPKLCKQMEX-NUEKZKHPSA-N 0 0 383.470 -0.433 20 10 GBCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)[nH]c1=O ZINC001661001383 1071649331 /nfs/dbraw/zinc/64/93/31/1071649331.db2.gz MNDVBDHRZWZAAF-UHFFFAOYSA-N 0 0 380.426 -0.199 20 10 GBCDRN NC(=O)C1CCN(c2ccc(CNS(=O)(=O)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC001664259504 1071702633 /nfs/dbraw/zinc/70/26/33/1071702633.db2.gz MBMXOSAOJNRHII-HZPDHXFCSA-N 0 0 383.470 -0.433 20 10 GBCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1COC[C@H]1O ZINC001664363569 1071704509 /nfs/dbraw/zinc/70/45/09/1071704509.db2.gz ZAZBQEAMCSKDSN-HUUCEWRRSA-N 0 0 390.483 -0.900 20 10 GBCDRN CN1CCN(S(=O)(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC001665563945 1071728441 /nfs/dbraw/zinc/72/84/41/1071728441.db2.gz AOZCZVPDMIMKMM-UHFFFAOYSA-N 0 0 395.529 -0.030 20 10 GBCDRN Cn1nncc1S(=O)(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001666183437 1071742147 /nfs/dbraw/zinc/74/21/47/1071742147.db2.gz QZXKILRIRSETHY-UHFFFAOYSA-N 0 0 378.458 -0.005 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CC(S(N)(=O)=O)C3)cc2)C1 ZINC001667095880 1071757181 /nfs/dbraw/zinc/75/71/81/1071757181.db2.gz KDBYMRLCQRBCGE-CYBMUJFWSA-N 0 0 395.485 -0.429 20 10 GBCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CC(S(N)(=O)=O)C3)cc2)C1 ZINC001667095881 1071757143 /nfs/dbraw/zinc/75/71/43/1071757143.db2.gz KDBYMRLCQRBCGE-ZDUSSCGKSA-N 0 0 395.485 -0.429 20 10 GBCDRN COC(=O)C1(O)CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001667097774 1071757197 /nfs/dbraw/zinc/75/71/97/1071757197.db2.gz SNRHGPTZVZUCJH-AWEZNQCLSA-N 0 0 390.440 -0.182 20 10 GBCDRN COC(=O)C1(O)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001667097775 1071757101 /nfs/dbraw/zinc/75/71/01/1071757101.db2.gz SNRHGPTZVZUCJH-CQSZACIVSA-N 0 0 390.440 -0.182 20 10 GBCDRN CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3nncn3C)cc2)CC1 ZINC001668581446 1071770976 /nfs/dbraw/zinc/77/09/76/1071770976.db2.gz LHZLBQDFJJRVPA-UHFFFAOYSA-N 0 0 378.458 -0.038 20 10 GBCDRN CN(CCS(N)(=O)=O)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001676126292 1071845294 /nfs/dbraw/zinc/84/52/94/1071845294.db2.gz PRFOZCSFIXVHCB-UHFFFAOYSA-N 0 0 397.501 -0.182 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H](CO)[C@H](O)C3)cc2)C1 ZINC001677110266 1071860128 /nfs/dbraw/zinc/86/01/28/1071860128.db2.gz UNAIXNJYBNAJGI-BFYDXBDKSA-N 0 0 376.457 -0.117 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)C1 ZINC001677110267 1071859728 /nfs/dbraw/zinc/85/97/28/1071859728.db2.gz UNAIXNJYBNAJGI-HLLBOEOZSA-N 0 0 376.457 -0.117 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)C1 ZINC001677110268 1071860001 /nfs/dbraw/zinc/86/00/01/1071860001.db2.gz UNAIXNJYBNAJGI-INMHGKMJSA-N 0 0 376.457 -0.117 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@H](O)[C@H](CO)C3)cc2)C1 ZINC001677110369 1071859575 /nfs/dbraw/zinc/85/95/75/1071859575.db2.gz UNAIXNJYBNAJGI-VYDXJSESSA-N 0 0 376.457 -0.117 20 10 GBCDRN O=C(NCc1nnc2n1CCNC2=O)NCc1ccc(N2CCOCC2)cc1 ZINC001677347881 1071863117 /nfs/dbraw/zinc/86/31/17/1071863117.db2.gz HDLZPXLSURWVIG-UHFFFAOYSA-N 0 0 385.428 -0.143 20 10 GBCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)cc2)C1 ZINC001677437461 1071863834 /nfs/dbraw/zinc/86/38/34/1071863834.db2.gz FSSYXQCUYLLAFK-BMFZPTHFSA-N 0 0 399.451 -0.198 20 10 GBCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)cc2)C1 ZINC001677437462 1071863884 /nfs/dbraw/zinc/86/38/84/1071863884.db2.gz FSSYXQCUYLLAFK-CWRNSKLLSA-N 0 0 399.451 -0.198 20 10 GBCDRN CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001681719097 1071923932 /nfs/dbraw/zinc/92/39/32/1071923932.db2.gz BNRQBFMPCZFZHR-UHFFFAOYSA-N 0 0 397.501 -0.263 20 10 GBCDRN O=C(NCCN1CCNC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC001682595100 1071936886 /nfs/dbraw/zinc/93/68/86/1071936886.db2.gz MRCYOUQBMSFESU-UHFFFAOYSA-N 0 0 395.485 -0.254 20 10 GBCDRN CS(=O)(=O)C[C@H](O)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001682683334 1071939161 /nfs/dbraw/zinc/93/91/61/1071939161.db2.gz RVZMPFMONZDQJG-CYBMUJFWSA-N 0 0 389.449 -0.133 20 10 GBCDRN CS(=O)(=O)C[C@@H](O)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001682683336 1071939043 /nfs/dbraw/zinc/93/90/43/1071939043.db2.gz RVZMPFMONZDQJG-ZDUSSCGKSA-N 0 0 389.449 -0.133 20 10 GBCDRN NS(=O)(=O)C1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC001683018468 1071942938 /nfs/dbraw/zinc/94/29/38/1071942938.db2.gz SCAPQEYGVWDQTH-UHFFFAOYSA-N 0 0 390.412 -0.016 20 10 GBCDRN COC(=O)C1(O)CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001683733940 1071960416 /nfs/dbraw/zinc/96/04/16/1071960416.db2.gz CDIVAODYSQSSFO-UHFFFAOYSA-N 0 0 397.453 -0.649 20 10 GBCDRN C[C@]1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCNC1=O ZINC001683734503 1071960520 /nfs/dbraw/zinc/96/05/20/1071960520.db2.gz LKJWJUZIXRMHOB-KRWDZBQOSA-N 0 0 380.470 -0.001 20 10 GBCDRN C[C@@]1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCNC1=O ZINC001683734504 1071961043 /nfs/dbraw/zinc/96/10/43/1071961043.db2.gz LKJWJUZIXRMHOB-QGZVFWFLSA-N 0 0 380.470 -0.001 20 10 GBCDRN O=C(NCc1nnc2n1CCNC2=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001684141507 1071968401 /nfs/dbraw/zinc/96/84/01/1071968401.db2.gz KZZALBBPXLCMMP-UHFFFAOYSA-N 0 0 399.455 -0.018 20 10 GBCDRN COC(=O)C1(O)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC001685330911 1072001314 /nfs/dbraw/zinc/00/13/14/1072001314.db2.gz HPULOLWNLUDHGE-UHFFFAOYSA-N 0 0 390.440 -0.182 20 10 GBCDRN