smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2F)C[C@H](C)O1 ZINC000797710011 939168178 /nfs/dbraw/zinc/16/81/78/939168178.db2.gz PUILLACDUXRJMQ-MVWRLGRASA-N -1 0 423.485 2.118 20 10 HECDRM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCO[C@H](COC(C)C)C2)c1 ZINC000769804474 1078570803 /nfs/dbraw/zinc/57/08/03/1078570803.db2.gz JBXJXAZBSPMKNI-NRFANRHFSA-N -1 0 406.523 2.053 20 10 HECDRM O=S(=O)([N-]c1cc(I)ccc1O)c1cccc2nonc21 ZINC000770644521 1078936192 /nfs/dbraw/zinc/93/61/92/1078936192.db2.gz SACQQVITLLIBLR-UHFFFAOYSA-N -1 0 417.184 2.334 20 10 HECDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(N3CCC(C(N)=O)CC3)c2)c1 ZINC000740609029 1076207091 /nfs/dbraw/zinc/20/70/91/1076207091.db2.gz AIFLUGKJRYOUTC-UHFFFAOYSA-N -1 0 419.503 2.206 20 10 HECDRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nc(-c4cnn(C)c4)cs3)ccc21 ZINC000743049234 1076938262 /nfs/dbraw/zinc/93/82/62/1076938262.db2.gz DKHCEVXMIFVDQT-UHFFFAOYSA-N -1 0 403.489 2.253 20 10 HECDRM COc1ccc(O)c([C@H](C)NC(=O)c2cc([N-]S(C)(=O)=O)c(OC)c(OC)c2)c1 ZINC000743335863 1077029866 /nfs/dbraw/zinc/02/98/66/1077029866.db2.gz COOXOISXPYCYQJ-NSHDSACASA-N -1 0 424.475 2.281 20 10 HECDRM C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@@H](C)CN1C ZINC000770161574 1078759963 /nfs/dbraw/zinc/75/99/63/1078759963.db2.gz GPWPVRMGWHVLGG-STQMWFEESA-N -1 0 409.533 2.419 20 10 HECDRM Cc1ccc(-n2[n-]c(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2=O)cc1 ZINC000746133881 1078801502 /nfs/dbraw/zinc/80/15/02/1078801502.db2.gz LZOMWWLOAVJLPW-UHFFFAOYSA-N -1 0 410.449 2.380 20 10 HECDRM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCOC[C@H]2C(F)(F)F)c1 ZINC000739864183 1076083604 /nfs/dbraw/zinc/08/36/04/1076083604.db2.gz XYDXEUDHOXTTCK-KRWDZBQOSA-N -1 0 402.413 2.190 20 10 HECDRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000768126557 1080360074 /nfs/dbraw/zinc/36/00/74/1080360074.db2.gz UMBNBCFRYSZNQJ-UHFFFAOYSA-N -1 0 401.535 2.011 20 10 HECDRM C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000768448971 1080566472 /nfs/dbraw/zinc/56/64/72/1080566472.db2.gz QIKTVMXYGHZMEC-SSINHNECSA-N -1 0 416.546 2.094 20 10 HECDRM COC(=O)[C@H]1CCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769721502 1078535672 /nfs/dbraw/zinc/53/56/72/1078535672.db2.gz AMLJURPXGHBNHI-CQSZACIVSA-N -1 0 424.500 2.422 20 10 HECDRM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769958449 1078651850 /nfs/dbraw/zinc/65/18/50/1078651850.db2.gz QMUQIKCHRYOLEU-JSGCOSHPSA-N -1 0 423.516 2.028 20 10 HECDRM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000742027305 1076723268 /nfs/dbraw/zinc/72/32/68/1076723268.db2.gz QTCVUDWLCZHVRZ-UHFFFAOYSA-N -1 0 410.452 2.184 20 10 HECDRM COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc([N-]S(C)(=O)=O)c1OC ZINC000742487406 1076846942 /nfs/dbraw/zinc/84/69/42/1076846942.db2.gz GCGIXBBRZKHWJH-UHFFFAOYSA-N -1 0 407.492 2.071 20 10 HECDRM Cn1cc(-c2csc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cn1 ZINC000743050053 1076939388 /nfs/dbraw/zinc/93/93/88/1076939388.db2.gz PIBOXABERMLYNO-UHFFFAOYSA-N -1 0 403.489 2.471 20 10 HECDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c(OC)c1 ZINC000785546751 1080052356 /nfs/dbraw/zinc/05/23/56/1080052356.db2.gz AYXBTXSTQHNFQQ-UHFFFAOYSA-N -1 0 408.461 2.140 20 10 HECDRM O=C(CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)N1CCCCCC1 ZINC000768211720 1080414907 /nfs/dbraw/zinc/41/49/07/1080414907.db2.gz CTMLZIQIZHEZPT-UHFFFAOYSA-N -1 0 410.902 2.474 20 10 HECDRM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1OC ZINC000768266600 1080450015 /nfs/dbraw/zinc/45/00/15/1080450015.db2.gz WDUKEPRUHAEMPI-UHFFFAOYSA-N -1 0 405.885 2.306 20 10 HECDRM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000739766465 1076081167 /nfs/dbraw/zinc/08/11/67/1076081167.db2.gz RDOBHRFKUXTCCM-UHFFFAOYSA-N -1 0 416.503 2.012 20 10 HECDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1C ZINC000741649214 1076569772 /nfs/dbraw/zinc/56/97/72/1076569772.db2.gz PKDALBBGLDWGGT-UHFFFAOYSA-N -1 0 406.917 2.346 20 10 HECDRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CCC4)cs2)cn1 ZINC000743045894 1076935245 /nfs/dbraw/zinc/93/52/45/1076935245.db2.gz DOIBFHWHRBFYJP-UHFFFAOYSA-N -1 0 418.500 2.469 20 10 HECDRM O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000772125631 1079719220 /nfs/dbraw/zinc/71/92/20/1079719220.db2.gz WVWSFIRLCBUDCI-UHFFFAOYSA-N -1 0 412.870 2.350 20 10 HECDRM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000767873824 1080213081 /nfs/dbraw/zinc/21/30/81/1080213081.db2.gz DSQXCIZVUHFKHU-UHFFFAOYSA-N -1 0 405.520 2.371 20 10 HECDRM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768866435 1080823584 /nfs/dbraw/zinc/82/35/84/1080823584.db2.gz QYKHGICXBJRIBR-UHFFFAOYSA-N -1 0 411.870 2.482 20 10 HECDRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769302043 1081034931 /nfs/dbraw/zinc/03/49/31/1081034931.db2.gz LPTQSQVJVQQFLT-LBPRGKRZSA-N -1 0 413.858 2.187 20 10 HECDRM C[C@@H]1CN(c2ccc(CNC(=O)N[C@]3(C(=O)[O-])CCSC3)cc2F)C[C@H](C)O1 ZINC000797709799 939168244 /nfs/dbraw/zinc/16/82/44/939168244.db2.gz KIANDOAULHHUOO-QHRIQVFBSA-N -1 0 411.499 2.199 20 10 HECDRM C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CCOCC3)cc2F)C[C@H](C)O1 ZINC000797710276 939168648 /nfs/dbraw/zinc/16/86/48/939168648.db2.gz WNHHLKDZKYXVEP-BIENJYKASA-N -1 0 423.485 2.118 20 10 HECDRM Cn1cc(-c2csc([N-]S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)n2)cn1 ZINC000743047114 1076936876 /nfs/dbraw/zinc/93/68/76/1076936876.db2.gz QDBNMPKOXKQKPE-UHFFFAOYSA-N -1 0 403.489 2.237 20 10 HECDRM COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1N1CCOC1=O ZINC000743266470 1077018967 /nfs/dbraw/zinc/01/89/67/1077018967.db2.gz NYIUNNCGKYFCPY-UHFFFAOYSA-N -1 0 406.445 2.457 20 10 HECDRM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743716648 1077095847 /nfs/dbraw/zinc/09/58/47/1077095847.db2.gz VPDYZTMKKKEFLQ-UHFFFAOYSA-N -1 0 405.458 2.391 20 10 HECDRM COCCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])CC(F)(F)F ZINC000745167492 1077765441 /nfs/dbraw/zinc/76/54/41/1077765441.db2.gz ATDNOCNFLPYVKI-UHFFFAOYSA-N -1 0 404.429 2.438 20 10 HECDRM O=C(NC[C@H](O)c1cccnc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000772509544 1079906626 /nfs/dbraw/zinc/90/66/26/1079906626.db2.gz PDHVQSWNOBSOTP-INIZCTEOSA-N -1 0 419.484 2.113 20 10 HECDRM COC(=O)C[C@@H]1CCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000772584682 1079945755 /nfs/dbraw/zinc/94/57/55/1079945755.db2.gz YVRLHWPNJKHDCS-ZDUSSCGKSA-N -1 0 424.500 2.422 20 10 HECDRM C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000768448955 1080566332 /nfs/dbraw/zinc/56/63/32/1080566332.db2.gz QIKTVMXYGHZMEC-FTJNGKRUSA-N -1 0 416.546 2.094 20 10 HECDRM CN(C)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])cc1 ZINC000745990257 1078722539 /nfs/dbraw/zinc/72/25/39/1078722539.db2.gz ACJCOYRCBPFKFY-UHFFFAOYSA-N -1 0 403.504 2.173 20 10 HECDRM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)OC)cc1 ZINC000785487190 1079104815 /nfs/dbraw/zinc/10/48/15/1079104815.db2.gz BOQSFQCPKDQHDY-UHFFFAOYSA-N -1 0 418.518 2.406 20 10 HECDRM Cc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000740750691 1076234246 /nfs/dbraw/zinc/23/42/46/1076234246.db2.gz YLPAEICVMAMSJV-UHFFFAOYSA-N -1 0 411.487 2.228 20 10 HECDRM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)cc2o1 ZINC000743255230 1077015495 /nfs/dbraw/zinc/01/54/95/1077015495.db2.gz ZOLHZZHPFBXNFK-UHFFFAOYSA-N -1 0 409.851 2.412 20 10 HECDRM CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000768498975 1080594083 /nfs/dbraw/zinc/59/40/83/1080594083.db2.gz MGJVWPDGSASDIH-UHFFFAOYSA-N -1 0 402.425 2.086 20 10 HECDRM CS[C@H](CO)[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769340490 1081048724 /nfs/dbraw/zinc/04/87/24/1081048724.db2.gz KYAPEHMKDRCJLO-QMTHXVAHSA-N -1 0 416.546 2.097 20 10 HECDRM CCOC(=O)C(C)(C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769757781 1078543002 /nfs/dbraw/zinc/54/30/02/1078543002.db2.gz FAZLXZGNZIWGSQ-UHFFFAOYSA-N -1 0 412.489 2.326 20 10 HECDRM CC[C@@](C)(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(=O)OC ZINC000769741452 1078555065 /nfs/dbraw/zinc/55/50/65/1078555065.db2.gz BPYDZLNLPIBWBC-QGZVFWFLSA-N -1 0 412.489 2.326 20 10 HECDRM COCCn1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000769748182 1078557987 /nfs/dbraw/zinc/55/79/87/1078557987.db2.gz BUMIQDZXOGNQBG-UHFFFAOYSA-N -1 0 422.488 2.350 20 10 HECDRM CCOc1ccc(OCC)c(NC(=S)NNc2nc(=O)c3cnn(C)c3[nH]2)c1 ZINC000769793318 1078567763 /nfs/dbraw/zinc/56/77/63/1078567763.db2.gz KIAGDSIHACNXJI-UHFFFAOYSA-N -1 0 403.468 2.180 20 10 HECDRM COc1ccc(N2CCN(C(=O)c3cc(=O)n(-c4ccc(C)cc4)[n-]3)CC2)c(OC)c1 ZINC001169975250 1080087543 /nfs/dbraw/zinc/08/75/43/1080087543.db2.gz OZIVCNSAXLXLBC-UHFFFAOYSA-N -1 0 422.485 2.454 20 10 HECDRM Cc1nc(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)CCCCCC2)no1 ZINC000769717339 1078534033 /nfs/dbraw/zinc/53/40/33/1078534033.db2.gz WONKVEZBHBPWNO-UHFFFAOYSA-N -1 0 408.480 2.435 20 10 HECDRM CCC(CC)(NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)C(N)=O ZINC000769743956 1078556762 /nfs/dbraw/zinc/55/67/62/1078556762.db2.gz ITJXFVLRJXATLE-UHFFFAOYSA-N -1 0 411.505 2.028 20 10 HECDRM C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000770161571 1078760183 /nfs/dbraw/zinc/76/01/83/1078760183.db2.gz GPWPVRMGWHVLGG-QWHCGFSZSA-N -1 0 409.533 2.419 20 10 HECDRM COC(=O)C1=S=c2nc(C(Cl)=Cc3cccc4nccn43)[n-]c(=O)c2=C1C ZINC000771281160 1079238789 /nfs/dbraw/zinc/23/87/89/1079238789.db2.gz JSMZIMCCIHAQIK-DHZHZOJOSA-N -1 0 400.847 2.080 20 10 HECDRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccc(OC)cc3)c(C)s2)cn1 ZINC000743045709 1076934732 /nfs/dbraw/zinc/93/47/32/1076934732.db2.gz URNNBZCMNVMFCZ-UHFFFAOYSA-N -1 0 422.488 2.297 20 10 HECDRM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1 ZINC000743381012 1077036572 /nfs/dbraw/zinc/03/65/72/1077036572.db2.gz YIOFXSLVWJSNGZ-UHFFFAOYSA-N -1 0 417.550 2.258 20 10 HECDRM O=C([O-])[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000780607521 939140638 /nfs/dbraw/zinc/14/06/38/939140638.db2.gz DKWZIZDJZQPVDT-LJQANCHMSA-N -1 0 401.438 2.412 20 10 HECDRM C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2F)C[C@@H](C)O1 ZINC000797710013 939168035 /nfs/dbraw/zinc/16/80/35/939168035.db2.gz PUILLACDUXRJMQ-ZLHSVIROSA-N -1 0 423.485 2.118 20 10 HECDRM C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2F)C[C@@H](C)O1 ZINC000797710012 939168064 /nfs/dbraw/zinc/16/80/64/939168064.db2.gz PUILLACDUXRJMQ-UMHPPVOVSA-N -1 0 423.485 2.118 20 10 HECDRM C[C@@H]1CN(c2ccc(CNC(=O)N[C@@]3(C(=O)[O-])CCSC3)cc2F)C[C@H](C)O1 ZINC000797709800 939168212 /nfs/dbraw/zinc/16/82/12/939168212.db2.gz KIANDOAULHHUOO-QUJCMNEKSA-N -1 0 411.499 2.199 20 10 HECDRM NC(=O)c1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)cn1 ZINC000770010173 1078685969 /nfs/dbraw/zinc/68/59/69/1078685969.db2.gz ZHYHRYUTGKGYIK-UHFFFAOYSA-N -1 0 418.456 2.001 20 10 HECDRM COc1ccc(N2CCCN(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[nH]3)CC2)cc1 ZINC000740740972 1076230060 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ZINC000785486937 1079215545 /nfs/dbraw/zinc/21/55/45/1079215545.db2.gz LIDSSMVTKCKUSW-UHFFFAOYSA-N -1 0 406.460 2.119 20 10 HECDRM CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000743884752 1077176716 /nfs/dbraw/zinc/17/67/16/1077176716.db2.gz JWBIYXJPNCZQGL-UHFFFAOYSA-N -1 0 403.504 2.215 20 10 HECDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000786724829 1080776748 /nfs/dbraw/zinc/77/67/48/1080776748.db2.gz SAVBOVOEHOZUAS-UHFFFAOYSA-N -1 0 418.468 2.023 20 10 HECDRM CS[C@@H](CO)[C@@H](C)NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769340491 1081048828 /nfs/dbraw/zinc/04/88/28/1081048828.db2.gz KYAPEHMKDRCJLO-YGRLFVJLSA-N -1 0 416.546 2.097 20 10 HECDRM O=C(N[C@@H]1CCc2cncn2C1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000804335044 1079370996 /nfs/dbraw/zinc/37/09/96/1079370996.db2.gz QBCHTJBRIYOXPG-CYBMUJFWSA-N -1 0 418.500 2.196 20 10 HECDRM C[C@H](C[S@](C)=O)N(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000768448965 1080566412 /nfs/dbraw/zinc/56/64/12/1080566412.db2.gz QIKTVMXYGHZMEC-NDHGSNPTSA-N -1 0 416.546 2.094 20 10 HECDRM NC(=O)C[C@@H]1CCCCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000769739089 1078554089 /nfs/dbraw/zinc/55/40/89/1078554089.db2.gz ZVPPIEFPCQGOQJ-ZDUSSCGKSA-N -1 0 423.516 2.125 20 10 HECDRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)cn1C ZINC000745994592 1078724127 /nfs/dbraw/zinc/72/41/27/1078724127.db2.gz ILSSKNSLFIPHPG-UHFFFAOYSA-N -1 0 421.456 2.465 20 10 HECDRM O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1O)N1CCC(CCO)CC1 ZINC000770133293 1078743223 /nfs/dbraw/zinc/74/32/23/1078743223.db2.gz ZGYLHDLLVDWICF-UHFFFAOYSA-N -1 0 410.517 2.489 20 10 HECDRM COc1ccc(N2CCC(NC(=O)C(=O)[N-]OCc3ccccc3OC)CC2)cc1 ZINC000804318825 1079243234 /nfs/dbraw/zinc/24/32/34/1079243234.db2.gz CZIDAJZDPVRCEG-UHFFFAOYSA-N -1 0 413.474 2.037 20 10 HECDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)c(C)c2)c1C ZINC000741647443 1076568995 /nfs/dbraw/zinc/56/89/95/1076568995.db2.gz CWBZZLRBPDLBHR-UHFFFAOYSA-N -1 0 400.526 2.391 20 10 HECDRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)c(C)s2)cn1 ZINC000743045841 1076935343 /nfs/dbraw/zinc/93/53/43/1076935343.db2.gz BGMAUIWPGIKUPL-UHFFFAOYSA-N -1 0 410.452 2.428 20 10 HECDRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nc(-c4cnn(C)c4)cs3)cc21 ZINC000743050037 1076939318 /nfs/dbraw/zinc/93/93/18/1076939318.db2.gz OQEJNVLWASTURZ-UHFFFAOYSA-N -1 0 403.489 2.253 20 10 HECDRM CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000768496955 1080592378 /nfs/dbraw/zinc/59/23/78/1080592378.db2.gz GEHGMKYTNDYPHR-UHFFFAOYSA-N -1 0 422.843 2.350 20 10 HECDRM CNC(=O)C1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CCCC1 ZINC000769748680 1078559185 /nfs/dbraw/zinc/55/91/85/1078559185.db2.gz IZDIXGDNZYFPLS-UHFFFAOYSA-N -1 0 423.516 2.043 20 10 HECDRM O=C(N[C@H](CO)CC(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000771197377 1079199955 /nfs/dbraw/zinc/19/99/55/1079199955.db2.gz SHTJSIRBIZCNOV-JTQLQIEISA-N -1 0 424.422 2.298 20 10 HECDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cn1 ZINC000743251399 1077014532 /nfs/dbraw/zinc/01/45/32/1077014532.db2.gz PENVDKYDDMKWBO-UHFFFAOYSA-N -1 0 422.488 2.053 20 10 HECDRM O=C(CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)NCc1ccccc1 ZINC000768233946 1080434477 /nfs/dbraw/zinc/43/44/77/1080434477.db2.gz CGMKFSPFDKLWFC-UHFFFAOYSA-N -1 0 418.881 2.388 20 10 HECDRM C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768298672 1080470178 /nfs/dbraw/zinc/47/01/78/1080470178.db2.gz DVQJYDPXOIBSNS-AWEZNQCLSA-N -1 0 410.902 2.472 20 10 HECDRM O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000768959530 1080883773 /nfs/dbraw/zinc/88/37/73/1080883773.db2.gz VAHRONDPNIPOQC-UHFFFAOYSA-N -1 0 412.870 2.350 20 10 HECDRM