smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2nnc3n2CCCCC3)c1 ZINC000727488378 1076142700 /nfs/dbraw/zinc/14/27/00/1076142700.db2.gz RVGFHJQNSBBRSH-UHFFFAOYSA-N -1 3 407.496 1.444 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732835646 1075882730 /nfs/dbraw/zinc/88/27/30/1075882730.db2.gz NTTQGTLZZVMFKA-CQSZACIVSA-N -1 3 407.423 1.438 20 10 HDCDHM Cc1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2=O)cc1 ZINC000804136837 1075526024 /nfs/dbraw/zinc/52/60/24/1075526024.db2.gz VWHWSYRPWSXYKI-UHFFFAOYSA-N -1 3 403.460 1.561 20 10 HDCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)cc1 ZINC000730592114 1076610185 /nfs/dbraw/zinc/61/01/85/1076610185.db2.gz MEDRTARSIXKARC-INIZCTEOSA-N -1 3 406.460 1.759 20 10 HDCDHM COc1ccc(N2CCN(C(=O)CO[N-]C(=O)CCOc3ccccc3)CC2)cc1 ZINC000731842336 1075547013 /nfs/dbraw/zinc/54/70/13/1075547013.db2.gz ZHVAQKXEGSCLGV-UHFFFAOYSA-N -1 3 413.474 1.861 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 ZINC000733002912 1075934395 /nfs/dbraw/zinc/93/43/95/1075934395.db2.gz MWPSDBNYRHLAST-UHFFFAOYSA-N -1 3 413.402 1.202 20 10 HDCDHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCCSc1nccs1 ZINC000733972319 1076278831 /nfs/dbraw/zinc/27/88/31/1076278831.db2.gz QEYBMMCTUGZWPK-UHFFFAOYSA-N -1 3 405.299 1.467 20 10 HDCDHM COc1cc(OC)c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(OC)c1 ZINC000731053324 1076719497 /nfs/dbraw/zinc/71/94/97/1076719497.db2.gz LIEGTJDAAZDAOI-UHFFFAOYSA-N -1 3 424.475 1.762 20 10 HDCDHM COC(=O)CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cc(Cl)ccc1[O-] ZINC000732202783 1075675059 /nfs/dbraw/zinc/67/50/59/1075675059.db2.gz COAKTMGFISDIRX-UHFFFAOYSA-N -1 3 423.897 1.101 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c1 ZINC000732301600 1075693986 /nfs/dbraw/zinc/69/39/86/1075693986.db2.gz YCLIDYXXPKKODA-UHFFFAOYSA-N -1 3 417.487 1.816 20 10 HDCDHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000733002847 1075933774 /nfs/dbraw/zinc/93/37/74/1075933774.db2.gz ZPMJPBHJASAKJY-CYBMUJFWSA-N -1 3 411.524 1.778 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 ZINC000727485364 1076140983 /nfs/dbraw/zinc/14/09/83/1076140983.db2.gz NZWPBQAXLAZVEJ-UHFFFAOYSA-N -1 3 405.476 1.848 20 10 HDCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccc(O)cc1 ZINC000733362453 1076053280 /nfs/dbraw/zinc/05/32/80/1076053280.db2.gz LVDPIDZVWOJCNH-CYBMUJFWSA-N -1 3 422.459 1.231 20 10 HDCDHM COc1ccccc1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000728082324 1076335439 /nfs/dbraw/zinc/33/54/39/1076335439.db2.gz YWFJQWHXJIXHDD-UHFFFAOYSA-N -1 3 419.503 1.730 20 10 HDCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccc(C)c1 ZINC000730286661 1076514678 /nfs/dbraw/zinc/51/46/78/1076514678.db2.gz FIRIYPOSVSSSRE-OAHLLOKOSA-N -1 3 420.487 1.834 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732835645 1075882704 /nfs/dbraw/zinc/88/27/04/1075882704.db2.gz NTTQGTLZZVMFKA-AWEZNQCLSA-N -1 3 407.423 1.438 20 10 HDCDHM CCc1cc(N2CCC[C@@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)ncn1 ZINC000732913993 1075911208 /nfs/dbraw/zinc/91/12/08/1075911208.db2.gz FGIMOTIFTNCMHL-OAHLLOKOSA-N -1 3 419.507 1.515 20 10 HDCDHM CC(C)(C)OC(=O)N(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000727487530 1076142708 /nfs/dbraw/zinc/14/27/08/1076142708.db2.gz OOXFKXIWMCHPRI-UHFFFAOYSA-N -1 3 413.496 1.893 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCN(Cc3cscn3)CC2)c1 ZINC000727489124 1076143036 /nfs/dbraw/zinc/14/30/36/1076143036.db2.gz QVMWILQRAVXFIU-UHFFFAOYSA-N -1 3 410.521 1.568 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCNC(=O)c2ccc(F)cc2)c1 ZINC000732291526 1075700720 /nfs/dbraw/zinc/70/07/20/1075700720.db2.gz CPVUXMHCQFBQIF-UHFFFAOYSA-N -1 3 409.439 1.453 20 10 HDCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1ccc(O)cc1 ZINC000733362454 1076053212 /nfs/dbraw/zinc/05/32/12/1076053212.db2.gz LVDPIDZVWOJCNH-ZDUSSCGKSA-N -1 3 422.459 1.231 20 10 HDCDHM O=C(CNC(=O)c1ccc([O-])cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000727483373 1076140610 /nfs/dbraw/zinc/14/06/10/1076140610.db2.gz HTPNQUYTFJMWSO-UHFFFAOYSA-N -1 3 401.438 1.539 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000732291768 1075700608 /nfs/dbraw/zinc/70/06/08/1075700608.db2.gz NNSNYSMRWNPLBV-CQSZACIVSA-N -1 3 423.878 1.952 20 10 HDCDHM COc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc(Br)c1[O-] ZINC000727176358 1076070649 /nfs/dbraw/zinc/07/06/49/1076070649.db2.gz KBUIVJTZJQZULW-WTKPLQERSA-N -1 3 403.279 1.850 20 10 HDCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccc(F)c1 ZINC000730035536 1076414302 /nfs/dbraw/zinc/41/43/02/1076414302.db2.gz PUMDCKRXZCJXST-ZDUSSCGKSA-N -1 3 424.450 1.665 20 10 HDCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)C1 ZINC000732274168 1075686473 /nfs/dbraw/zinc/68/64/73/1075686473.db2.gz DLYVCDIYGBOSOZ-OAHLLOKOSA-N -1 3 405.458 1.967 20 10 HDCDHM Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N(C)Cc2cc(=O)[n-]c(N)n2)C1 ZINC000409610112 1075731707 /nfs/dbraw/zinc/73/17/07/1075731707.db2.gz ZCNLQTMCZGVQRV-INIZCTEOSA-N -1 3 423.521 1.980 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000731371827 1075321803 /nfs/dbraw/zinc/32/18/03/1075321803.db2.gz OKPPFJAEMMMISU-UHFFFAOYSA-N -1 3 409.508 1.675 20 10 HDCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732835603 1075882742 /nfs/dbraw/zinc/88/27/42/1075882742.db2.gz MMUBZUBPDIDWGF-MRXNPFEDSA-N -1 3 421.450 1.780 20 10 HDCDHM COc1ccc(N2CCN(CCNC(=O)c3nnc4ccccc4c3[O-])CC2)cc1 ZINC000732924505 1075915059 /nfs/dbraw/zinc/91/50/59/1075915059.db2.gz WBCWYYYJLMFLHH-UHFFFAOYSA-N -1 3 407.474 1.896 20 10 HDCDHM O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1nnc2ccccc2c1[O-] ZINC000732274238 1075686612 /nfs/dbraw/zinc/68/66/12/1075686612.db2.gz ORBWTNXHNTVSJB-UHFFFAOYSA-N -1 3 412.471 1.500 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000734016690 1076290650 /nfs/dbraw/zinc/29/06/50/1076290650.db2.gz YXCKODMZMJXJPM-UHFFFAOYSA-N -1 3 413.393 1.422 20 10 HDCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(C)cc1 ZINC000730592115 1076609876 /nfs/dbraw/zinc/60/98/76/1076609876.db2.gz MEDRTARSIXKARC-MRXNPFEDSA-N -1 3 406.460 1.759 20 10 HDCDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842004 1076671020 /nfs/dbraw/zinc/67/10/20/1076671020.db2.gz AQLMBVBXGLOWHA-CYBMUJFWSA-N -1 3 413.496 1.893 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCC(=O)N2CCc3ccccc32)c1 ZINC000732306169 1075694688 /nfs/dbraw/zinc/69/46/88/1075694688.db2.gz JJQZVXOFBWPEKN-UHFFFAOYSA-N -1 3 417.487 1.863 20 10 HDCDHM COC(=O)CN(CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000732203163 1075675716 /nfs/dbraw/zinc/67/57/16/1075675716.db2.gz QLODNTWYTAFKOL-UHFFFAOYSA-N -1 3 412.870 1.386 20 10 HDCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)OC)cc2)cc1 ZINC000733249667 1076023244 /nfs/dbraw/zinc/02/32/44/1076023244.db2.gz OZQAULLTOPQAOC-UHFFFAOYSA-N -1 3 412.489 1.965 20 10 HDCDHM COC(=O)CN(Cc1nn2c(nc(C)cc2=O)s1)Cc1cc(Cl)ccc1[O-] ZINC000732202836 1075674987 /nfs/dbraw/zinc/67/49/87/1075674987.db2.gz GXXAZRFWXZYNAW-UHFFFAOYSA-N -1 3 408.867 1.994 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000732291767 1075700729 /nfs/dbraw/zinc/70/07/29/1075700729.db2.gz NNSNYSMRWNPLBV-AWEZNQCLSA-N -1 3 423.878 1.952 20 10 HDCDHM COC(=O)CN(CC(=O)Nc1ccccc1C(N)=O)Cc1cc(Cl)ccc1[O-] ZINC000731845041 1075530028 /nfs/dbraw/zinc/53/00/28/1075530028.db2.gz OPQPGJDEDAMKHY-UHFFFAOYSA-N -1 3 405.838 1.758 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccnc(OC3CCOCC3)c2)c1 ZINC000733366289 1076054984 /nfs/dbraw/zinc/05/49/84/1076054984.db2.gz PUZOKEBCQAVXML-UHFFFAOYSA-N -1 3 421.475 1.647 20 10 HDCDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000733002848 1075933805 /nfs/dbraw/zinc/93/38/05/1075933805.db2.gz ZPMJPBHJASAKJY-ZDUSSCGKSA-N -1 3 411.524 1.778 20 10 HDCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc([O-])cc3)cc2)C1 ZINC000727484766 1076141012 /nfs/dbraw/zinc/14/10/12/1076141012.db2.gz CPQIPXYQFJDSMK-KRWDZBQOSA-N -1 3 410.474 1.140 20 10 HDCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc([O-])cc3)cc2)C1 ZINC000727484768 1076141072 /nfs/dbraw/zinc/14/10/72/1076141072.db2.gz CPQIPXYQFJDSMK-QGZVFWFLSA-N -1 3 410.474 1.140 20 10 HDCDHM CCN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2F)CC1 ZINC000730286018 1076513918 /nfs/dbraw/zinc/51/39/18/1076513918.db2.gz AJWPAIUEELMBJR-UHFFFAOYSA-N -1 3 410.449 1.781 20 10 HDCDHM COC(=O)CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Cl)ccc1[O-] ZINC000731844715 1075529691 /nfs/dbraw/zinc/52/96/91/1075529691.db2.gz ICCUHGVMQPLUQQ-UHFFFAOYSA-N -1 3 411.764 1.409 20 10 HDCDHM COc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc(Br)c1[O-] ZINC000727176355 1076070587 /nfs/dbraw/zinc/07/05/87/1076070587.db2.gz KBUIVJTZJQZULW-RUDMXATFSA-N -1 3 403.279 1.850 20 10 HDCDHM CCOc1cccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)n1 ZINC000730286962 1076514424 /nfs/dbraw/zinc/51/44/24/1076514424.db2.gz DETVBOGUJSADNI-UHFFFAOYSA-N -1 3 420.491 1.520 20 10 HDCDHM COC(=O)c1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000731230870 1076760102 /nfs/dbraw/zinc/76/01/02/1076760102.db2.gz AGDKWWROGFZCKW-UHFFFAOYSA-N -1 3 408.432 1.359 20 10 HDCDHM CCc1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)cs1 ZINC000731456089 1075363998 /nfs/dbraw/zinc/36/39/98/1075363998.db2.gz XWNOMVLRNRCIBX-UHFFFAOYSA-N -1 3 424.548 1.741 20 10 HDCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3nnc4ccccc4c3[O-])cc2)C1 ZINC000732274165 1075686532 /nfs/dbraw/zinc/68/65/32/1075686532.db2.gz DLYVCDIYGBOSOZ-HNNXBMFYSA-N -1 3 405.458 1.967 20 10 HDCDHM Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[n-]c(N)n2)C1 ZINC000409610113 1075731668 /nfs/dbraw/zinc/73/16/68/1075731668.db2.gz ZCNLQTMCZGVQRV-MRXNPFEDSA-N -1 3 423.521 1.980 20 10 HDCDHM COc1ccc(N2CCN(CCNC(=O)c3cc(NC(C)=O)ccc3[O-])CC2)cc1 ZINC000732924321 1075915023 /nfs/dbraw/zinc/91/50/23/1075915023.db2.gz QZZBQFHDXMYKQA-UHFFFAOYSA-N -1 3 412.490 1.911 20 10 HDCDHM COc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(OC)c1OC ZINC000727858989 1076274248 /nfs/dbraw/zinc/27/42/48/1076274248.db2.gz KTGKQLYYMVYXJF-UHFFFAOYSA-N -1 3 424.475 1.762 20 10 HDCDHM COC(=O)CN(CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cc(Cl)ccc1[O-] ZINC000732202799 1075675032 /nfs/dbraw/zinc/67/50/32/1075675032.db2.gz DXNCIQRPYJOSPP-INIZCTEOSA-N -1 3 411.886 1.148 20 10 HDCDHM COC(=O)CN(CC(=O)NC1CCN(C(C)=O)CC1)Cc1cc(Cl)ccc1[O-] ZINC000731845641 1075529624 /nfs/dbraw/zinc/52/96/24/1075529624.db2.gz CMEANCHSXUVLKG-UHFFFAOYSA-N -1 3 411.886 1.148 20 10 HDCDHM COC(=O)CN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cc(Cl)ccc1[O-] ZINC000732202800 1075675009 /nfs/dbraw/zinc/67/50/09/1075675009.db2.gz DXNCIQRPYJOSPP-MRXNPFEDSA-N -1 3 411.886 1.148 20 10 HDCDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000730842005 1076671149 /nfs/dbraw/zinc/67/11/49/1076671149.db2.gz AQLMBVBXGLOWHA-ZDUSSCGKSA-N -1 3 413.496 1.893 20 10 HDCDHM CCc1cc(N2CCC[C@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)ncn1 ZINC000732913991 1075911160 /nfs/dbraw/zinc/91/11/60/1075911160.db2.gz FGIMOTIFTNCMHL-HNNXBMFYSA-N -1 3 419.507 1.515 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC(=O)OCc2ccccc2Cl)c1 ZINC000733367333 1076055681 /nfs/dbraw/zinc/05/56/81/1076055681.db2.gz ZVYCRBPWTBYEPM-UHFFFAOYSA-N -1 3 412.851 1.890 20 10 HDCDHM Cn1cnc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000727836418 1076265604 /nfs/dbraw/zinc/26/56/04/1076265604.db2.gz DGCRPVYOERFZFY-UHFFFAOYSA-N -1 3 404.414 1.754 20 10 HDCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccc(C)c1 ZINC000730286659 1076514691 /nfs/dbraw/zinc/51/46/91/1076514691.db2.gz FIRIYPOSVSSSRE-HNNXBMFYSA-N -1 3 420.487 1.834 20 10 HDCDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000732835602 1075882847 /nfs/dbraw/zinc/88/28/47/1075882847.db2.gz MMUBZUBPDIDWGF-INIZCTEOSA-N -1 3 421.450 1.780 20 10 HDCDHM Cc1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)oc1C ZINC000730086384 1076440724 /nfs/dbraw/zinc/44/07/24/1076440724.db2.gz LTZDWDMNGZZHGC-UHFFFAOYSA-N -1 3 408.480 1.327 20 10 HDCDHM COC(=O)CN(CC(=O)NC(=O)NCc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000731844661 1075529002 /nfs/dbraw/zinc/52/90/02/1075529002.db2.gz HPXWSWJHJLSUHZ-UHFFFAOYSA-N -1 3 409.826 1.640 20 10 HDCDHM COC(=O)CN(CCNS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000731845044 1075530071 /nfs/dbraw/zinc/53/00/71/1075530071.db2.gz OQYOPAPELBHTEK-UHFFFAOYSA-N -1 3 412.895 1.999 20 10 HDCDHM COC(=O)CN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1cc(Cl)ccc1[O-] ZINC000731845464 1075530097 /nfs/dbraw/zinc/53/00/97/1075530097.db2.gz ZPJPBUJQIVLCTH-UHFFFAOYSA-N -1 3 412.870 1.432 20 10 HDCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCNC(=O)c2cccc(F)c2)c1 ZINC000732292540 1075700894 /nfs/dbraw/zinc/70/08/94/1075700894.db2.gz ZBBOPVSVHNQEIU-UHFFFAOYSA-N -1 3 409.439 1.453 20 10 HDCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Cc1cccc(F)c1 ZINC000730035535 1076413606 /nfs/dbraw/zinc/41/36/06/1076413606.db2.gz PUMDCKRXZCJXST-CYBMUJFWSA-N -1 3 424.450 1.665 20 10 HDCDHM COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)cc1 ZINC000732923484 1075914678 /nfs/dbraw/zinc/91/46/78/1075914678.db2.gz CFCKLFVUYAHADO-UHFFFAOYSA-N -1 3 408.458 1.131 20 10 HDCDHM Cc1occc1C(=O)NC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000727489328 1076142666 /nfs/dbraw/zinc/14/26/66/1076142666.db2.gz SOOVVGAIZRSINS-UHFFFAOYSA-N -1 3 421.475 1.700 20 10 HDCDHM CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1[O-] ZINC000766192969 1076249143 /nfs/dbraw/zinc/24/91/43/1076249143.db2.gz YXPRBKANWKQBET-UHFFFAOYSA-N -1 3 410.471 1.282 20 10 HDCDHM