smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(C3CCN(S(=O)(=O)c4cccc(S(=O)(=O)N5CCOCC5)c4)CC3)[nH]c2c1 ZINC000001335132 551645299 /nfs/dbraw/zinc/64/52/99/551645299.db2.gz BNDZEXRBHWMLEB-UHFFFAOYSA-N 0 1 504.634 2.461 40 0 KEABMN NC(=O)[C@H](Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1 ZINC000004900795 552489313 /nfs/dbraw/zinc/48/93/13/552489313.db2.gz QJPXSFLBPXVGFN-ZDUSSCGKSA-N 0 1 536.107 2.428 40 0 KEABMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762932 552509239 /nfs/dbraw/zinc/50/92/39/552509239.db2.gz WVIROHQCACRCMC-CYXNTTPDSA-N 0 1 600.632 2.147 40 0 KEABMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762933 552509056 /nfs/dbraw/zinc/50/90/56/552509056.db2.gz WVIROHQCACRCMC-ZNZIZOMTSA-N 0 1 600.632 2.147 40 0 KEABMN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762934 552509158 /nfs/dbraw/zinc/50/91/58/552509158.db2.gz WVIROHQCACRCMC-NXCFDTQHSA-N 0 1 600.632 2.147 40 0 KEABMN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000005762935 552509084 /nfs/dbraw/zinc/50/90/84/552509084.db2.gz WVIROHQCACRCMC-GSDHBNRESA-N 0 1 600.632 2.147 40 0 KEABMN CCOC(=O)c1cc(C)nc2c1c(=O)n(-c1ccccc1)c(=O)n2CCCCN1CCN(c2ncccn2)CC1 ZINC000005822892 552510328 /nfs/dbraw/zinc/51/03/28/552510328.db2.gz GIOYYUIAQGOYMQ-UHFFFAOYSA-N 0 1 543.628 2.425 40 0 KEABMN NC(=O)[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)c1ccccc1 ZINC000008618535 553103013 /nfs/dbraw/zinc/10/30/13/553103013.db2.gz QJPXSFLBPXVGFN-CYBMUJFWSA-N 0 1 536.107 2.428 40 0 KEABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000010314248 553332767 /nfs/dbraw/zinc/33/27/67/553332767.db2.gz WJEJBSRWJKMZIR-UHFFFAOYSA-N 0 1 510.638 2.261 40 0 KEABMN CCOC(=O)CN1c2ccccc2[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000012413366 553364505 /nfs/dbraw/zinc/36/45/05/553364505.db2.gz XWLRTNZHBAPKED-HGXGVQFASA-N 0 1 507.612 2.318 40 0 KEABMN CCOC(=O)CN1c2ccccc2[C@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O ZINC000012413367 553364469 /nfs/dbraw/zinc/36/44/69/553364469.db2.gz XWLRTNZHBAPKED-KKBCGBJISA-N 0 1 507.612 2.318 40 0 KEABMN CCN(CC)CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000013510490 553467328 /nfs/dbraw/zinc/46/73/28/553467328.db2.gz XIROOYQOKZEOJL-UHFFFAOYSA-N 0 1 514.645 2.047 40 0 KEABMN CCN(CC)CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000013564500 553472216 /nfs/dbraw/zinc/47/22/16/553472216.db2.gz CAZSOZWOLQVEOX-UHFFFAOYSA-N 0 1 510.682 2.217 40 0 KEABMN COc1ccc(/C=c2/[nH]c(=O)/c(=C\c3ccc(OC)c(Br)c3)[nH]c2=O)cc1Br ZINC000016226561 553557209 /nfs/dbraw/zinc/55/72/09/553557209.db2.gz YONDZYQYJKZOOL-KAVGSWPWSA-N 0 1 508.166 2.263 40 0 KEABMN CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12 ZINC000017654092 553599058 /nfs/dbraw/zinc/59/90/58/553599058.db2.gz YDOTUXAWKBPQJW-KFXREKJISA-N 0 1 575.710 2.430 40 0 KEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000019527924 553614590 /nfs/dbraw/zinc/61/45/90/553614590.db2.gz CRSYTFSLXLBISB-DEOSSOPVSA-N 0 1 507.570 2.446 40 0 KEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000019527925 553614578 /nfs/dbraw/zinc/61/45/78/553614578.db2.gz CRSYTFSLXLBISB-XMMPIXPASA-N 0 1 507.570 2.446 40 0 KEABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(C)(=O)=O ZINC000019934708 553636263 /nfs/dbraw/zinc/63/62/63/553636263.db2.gz CDFPORZLDNBZNK-UHFFFAOYSA-N 0 1 505.578 2.081 40 0 KEABMN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)N(C)C)c1 ZINC000020036788 553667741 /nfs/dbraw/zinc/66/77/41/553667741.db2.gz DWUVPGNIROTGSR-UHFFFAOYSA-N 0 1 518.621 2.146 40 0 KEABMN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c1 ZINC000020037176 553667923 /nfs/dbraw/zinc/66/79/23/553667923.db2.gz MLWKYIWCKNUKQK-UHFFFAOYSA-N 0 1 502.574 2.490 40 0 KEABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000020037287 553668049 /nfs/dbraw/zinc/66/80/49/553668049.db2.gz SJWWWJYVFGULBY-UHFFFAOYSA-N 0 1 511.622 2.427 40 0 KEABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000020041740 553668847 /nfs/dbraw/zinc/66/88/47/553668847.db2.gz NCQFWPFKXAVPPQ-UHFFFAOYSA-N 0 1 515.617 2.458 40 0 KEABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c1 ZINC000020045331 553669678 /nfs/dbraw/zinc/66/96/78/553669678.db2.gz CRARYDZRFGXYPD-UHFFFAOYSA-N 0 1 520.589 2.304 40 0 KEABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)n1 ZINC000020048716 553670489 /nfs/dbraw/zinc/67/04/89/553670489.db2.gz MHDMTLFGGIMFCB-UHFFFAOYSA-N 0 1 511.532 2.269 40 0 KEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000020080715 553679505 /nfs/dbraw/zinc/67/95/05/553679505.db2.gz RYGQYUSKRBZQID-RUZDIDTESA-N 0 1 519.606 2.316 40 0 KEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc(OC)c(OC)cc3[nH]c2=O)CC1 ZINC000020080718 553679457 /nfs/dbraw/zinc/67/94/57/553679457.db2.gz RYGQYUSKRBZQID-VWLOTQADSA-N 0 1 519.606 2.316 40 0 KEABMN CCCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000020080947 553680043 /nfs/dbraw/zinc/68/00/43/553680043.db2.gz IKFIMQMDUUREPX-RUZDIDTESA-N 0 1 517.590 2.417 40 0 KEABMN CCCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000020080950 553680025 /nfs/dbraw/zinc/68/00/25/553680025.db2.gz IKFIMQMDUUREPX-VWLOTQADSA-N 0 1 517.590 2.417 40 0 KEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000020081000 553679957 /nfs/dbraw/zinc/67/99/57/553679957.db2.gz NQHZPJJAFFNXCA-XMMPIXPASA-N 0 1 503.563 2.027 40 0 KEABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000020081003 553680003 /nfs/dbraw/zinc/68/00/03/553680003.db2.gz NQHZPJJAFFNXCA-DEOSSOPVSA-N 0 1 503.563 2.027 40 0 KEABMN CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)c1 ZINC000020105231 553689475 /nfs/dbraw/zinc/68/94/75/553689475.db2.gz DMMHWCXKEQHOPE-UHFFFAOYSA-N 0 1 517.589 2.193 40 0 KEABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000020107298 553690261 /nfs/dbraw/zinc/69/02/61/553690261.db2.gz WPJSCCWEUGHBTB-UHFFFAOYSA-N 0 1 511.622 2.427 40 0 KEABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCCO2 ZINC000020108580 553691405 /nfs/dbraw/zinc/69/14/05/553691405.db2.gz WQFRPIWAOICCPW-UHFFFAOYSA-N 0 1 518.573 2.058 40 0 KEABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1 ZINC000020111707 553694055 /nfs/dbraw/zinc/69/40/55/553694055.db2.gz QAYSIZHTBPSGJM-FQEVSTJZSA-N 0 1 517.589 2.060 40 0 KEABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)n1 ZINC000020111709 553693943 /nfs/dbraw/zinc/69/39/43/553693943.db2.gz QAYSIZHTBPSGJM-HXUWFJFHSA-N 0 1 517.589 2.060 40 0 KEABMN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020111715 553693984 /nfs/dbraw/zinc/69/39/84/553693984.db2.gz CHVGOYWAECJYAY-UHFFFAOYSA-N 0 1 516.601 2.464 40 0 KEABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCO2 ZINC000020452909 553651882 /nfs/dbraw/zinc/65/18/82/553651882.db2.gz DQXLCHIBIOLQGO-UHFFFAOYSA-N 0 1 504.546 2.016 40 0 KEABMN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 ZINC000020453687 553652212 /nfs/dbraw/zinc/65/22/12/553652212.db2.gz QWIOZUOKIOXUGV-HNNXBMFYSA-N 0 1 505.578 2.079 40 0 KEABMN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 ZINC000020453689 553652277 /nfs/dbraw/zinc/65/22/77/553652277.db2.gz QWIOZUOKIOXUGV-OAHLLOKOSA-N 0 1 505.578 2.079 40 0 KEABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000020456689 553653543 /nfs/dbraw/zinc/65/35/43/553653543.db2.gz ZORROIVOUCGKPL-UHFFFAOYSA-N 0 1 516.601 2.297 40 0 KEABMN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccccc21 ZINC000020456863 553653529 /nfs/dbraw/zinc/65/35/29/553653529.db2.gz AUOLPVMURLEZPS-NRFANRHFSA-N 0 1 502.574 2.438 40 0 KEABMN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)Oc2ccccc21 ZINC000020456864 553653547 /nfs/dbraw/zinc/65/35/47/553653547.db2.gz AUOLPVMURLEZPS-OAQYLSRUSA-N 0 1 502.574 2.438 40 0 KEABMN CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCO2 ZINC000020457118 553653702 /nfs/dbraw/zinc/65/37/02/553653702.db2.gz FKUCGWWSYBMWPV-UHFFFAOYSA-N 0 1 518.573 2.406 40 0 KEABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1 ZINC000020457754 553654002 /nfs/dbraw/zinc/65/40/02/553654002.db2.gz KUPQDTOZBOPHAJ-UHFFFAOYSA-N 0 1 519.605 2.308 40 0 KEABMN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 ZINC000020459167 553654335 /nfs/dbraw/zinc/65/43/35/553654335.db2.gz DKSXQJCVJAYPGL-INIZCTEOSA-N 0 1 519.605 2.388 40 0 KEABMN COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 ZINC000020459168 553654353 /nfs/dbraw/zinc/65/43/53/553654353.db2.gz DKSXQJCVJAYPGL-MRXNPFEDSA-N 0 1 519.605 2.388 40 0 KEABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)n1 ZINC000020459674 553654627 /nfs/dbraw/zinc/65/46/27/553654627.db2.gz WODMZPBPSUNOAG-UHFFFAOYSA-N 0 1 507.569 2.438 40 0 KEABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000020482803 553658317 /nfs/dbraw/zinc/65/83/17/553658317.db2.gz FYEYYJAZEQKQCI-UHFFFAOYSA-N 0 1 520.589 2.304 40 0 KEABMN CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1F ZINC000020483144 553658257 /nfs/dbraw/zinc/65/82/57/553658257.db2.gz YKONPKAUEJJVKG-UHFFFAOYSA-N 0 1 507.569 2.273 40 0 KEABMN CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 ZINC000020489085 553659782 /nfs/dbraw/zinc/65/97/82/553659782.db2.gz MQMQZNARDIYHHQ-INIZCTEOSA-N 0 1 519.605 2.469 40 0 KEABMN CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(C)(=O)=O)cc1 ZINC000020489087 553659826 /nfs/dbraw/zinc/65/98/26/553659826.db2.gz MQMQZNARDIYHHQ-MRXNPFEDSA-N 0 1 519.605 2.469 40 0 KEABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)cc2)n1 ZINC000020493973 553666658 /nfs/dbraw/zinc/66/66/58/553666658.db2.gz PHMQYYDHMYMIEM-UHFFFAOYSA-N 0 1 518.621 2.146 40 0 KEABMN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccccc21 ZINC000020494195 553666663 /nfs/dbraw/zinc/66/66/63/553666663.db2.gz HZLPTHWPPKZDLQ-FQEVSTJZSA-N 0 1 502.574 2.438 40 0 KEABMN CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)Oc2ccccc21 ZINC000020494197 553666959 /nfs/dbraw/zinc/66/69/59/553666959.db2.gz HZLPTHWPPKZDLQ-HXUWFJFHSA-N 0 1 502.574 2.438 40 0 KEABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)cc1OC ZINC000020494824 553667361 /nfs/dbraw/zinc/66/73/61/553667361.db2.gz MLFQSGCJZJITJB-UHFFFAOYSA-N 0 1 520.589 2.304 40 0 KEABMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000020495426 553667594 /nfs/dbraw/zinc/66/75/94/553667594.db2.gz NGRZCQNEALQXTF-UHFFFAOYSA-N 0 1 516.601 2.464 40 0 KEABMN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022513500 553743282 /nfs/dbraw/zinc/74/32/82/553743282.db2.gz JSAYHWYEEBROGT-UHFFFAOYSA-N 0 1 516.601 2.464 40 0 KEABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000022514145 553743321 /nfs/dbraw/zinc/74/33/21/553743321.db2.gz CEGXSIKYMYYABH-UHFFFAOYSA-N 0 1 520.589 2.304 40 0 KEABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(C)(=O)=O)cc1 ZINC000022516847 553743945 /nfs/dbraw/zinc/74/39/45/553743945.db2.gz MURJCAQAMJWOPO-UHFFFAOYSA-N 0 1 519.605 2.389 40 0 KEABMN CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc2c(c1)OCO2 ZINC000022521967 553744280 /nfs/dbraw/zinc/74/42/80/553744280.db2.gz UICJSWVRTWQXGH-UHFFFAOYSA-N 0 1 518.573 2.406 40 0 KEABMN CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)c(Cl)c1 ZINC000022522843 553744505 /nfs/dbraw/zinc/74/45/05/553744505.db2.gz ISKGRZUKGIEBBD-UHFFFAOYSA-N 0 1 513.960 2.475 40 0 KEABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000022529287 553745181 /nfs/dbraw/zinc/74/51/81/553745181.db2.gz ZDXACKADLSWIAI-UHFFFAOYSA-N 0 1 504.594 2.081 40 0 KEABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000022530712 553745471 /nfs/dbraw/zinc/74/54/71/553745471.db2.gz IVEGPCRNNMPXFY-UHFFFAOYSA-N 0 1 516.601 2.297 40 0 KEABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(C)(=O)=O ZINC000022532475 553745502 /nfs/dbraw/zinc/74/55/02/553745502.db2.gz RQGAHECSLWVDDC-UHFFFAOYSA-N 0 1 519.605 2.389 40 0 KEABMN 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Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3ccccc3Cl)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548889873 1066435250 /nfs/dbraw/zinc/43/52/50/1066435250.db2.gz LJGQRFHSHCZFAZ-GGAORHGYSA-N 0 1 601.129 2.193 40 0 KEABMN Cn1ncnc1-c1ccc2c(c1)OCCC1(CCN(Cc3cc(-c4ccccc4)no3)CC1)NC(=O)[C@@H]1C[C@@H](O)CN1S2(=O)=O ZINC001548890178 1066435340 /nfs/dbraw/zinc/43/53/40/1066435340.db2.gz MOQHFCRDVKOQOX-BVAGGSTKSA-N 0 1 633.731 2.195 40 0 KEABMN O=C1NC2(CCN(Cc3cccnc3)CC2)CCOc2cc(-c3cccnc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890183 1066435177 /nfs/dbraw/zinc/43/51/77/1066435177.db2.gz NBUBJAOMDXDBSR-RPBOFIJWSA-N 0 1 563.680 2.201 40 0 KEABMN Cn1cc(CN2CCC3(CC2)CCOc2cc(-c4ccc(F)cc4F)ccc2S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N3)cn1 ZINC001548890199 1066435033 /nfs/dbraw/zinc/43/50/33/1066435033.db2.gz NDVDKXPWUHYEKP-RDGATRHJSA-N 0 1 601.676 2.423 40 0 KEABMN O=C1NC2(CCN(Cc3ccncc3)CC2)CCOc2cc(-c3cccnc3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890202 1066435664 /nfs/dbraw/zinc/43/56/64/1066435664.db2.gz NFMUVNYNHBLMOF-RPBOFIJWSA-N 0 1 563.680 2.201 40 0 KEABMN O=C1NC2(CCN(Cc3cc(-c4ccccc4)no3)CC2)CCOc2ccccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890438 1066435749 /nfs/dbraw/zinc/43/57/49/1066435749.db2.gz PDAMVKGYCIYNML-QPPBQGQZSA-N 0 1 552.653 2.399 40 0 KEABMN O=C1NC2(CCN(Cc3ccccc3Cl)CC2)CCOc2cc(N3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890463 1066435702 /nfs/dbraw/zinc/43/57/02/1066435702.db2.gz PSWJUSDZAYYGHM-NOZRDPDXSA-N 0 1 605.157 2.234 40 0 KEABMN Cc1noc(C)c1CN1CCC2(CC1)CCOc1cc(-c3cccnc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890583 1066435640 /nfs/dbraw/zinc/43/56/40/1066435640.db2.gz UAOLEIYVUZSOQA-NOZRDPDXSA-N 0 1 581.695 2.411 40 0 KEABMN Cn1cc(CN2CCC3(CC2)CCOc2cc(-c4ccccc4)ccc2S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N3)cn1 ZINC001548890631 1066436580 /nfs/dbraw/zinc/43/65/80/1066436580.db2.gz UONWZZCJJJFKJE-RPBOFIJWSA-N 0 1 565.696 2.145 40 0 KEABMN O=C1NC2(CCN(Cc3cccnc3)CC2)CCOc2cc(C3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548890975 1066436550 /nfs/dbraw/zinc/43/65/50/1066436550.db2.gz VFQZFYAPHNEICO-RPBOFIJWSA-N 0 1 570.712 2.033 40 0 KEABMN Cn1cc(-c2ccc3c(c2)OCCC2(CCN(Cc4ccccc4F)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548891113 1066436697 /nfs/dbraw/zinc/43/66/97/1066436697.db2.gz WUGXCSXIJYLAPV-NOZRDPDXSA-N 0 1 583.686 2.284 40 0 KEABMN O=C1NC2(CCN(Cc3ccccc3Cl)CC2)CCOc2ccccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548891306 1066436605 /nfs/dbraw/zinc/43/66/05/1066436605.db2.gz ZLYWVCHQOXVECS-CTNGQTDRSA-N 0 1 520.051 2.397 40 0 KEABMN Cc1cccnc1CN1CCC2(CC1)CCOc1cc(C3CCOCC3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548891338 1066436733 /nfs/dbraw/zinc/43/67/33/1066436733.db2.gz ZROILQGTQAWNJS-RSXGOPAZSA-N 0 1 584.739 2.341 40 0 KEABMN COc1ccc(C2(O)CCC([N@H+]3CC[C@@H](NC(=O)CN(CS(=O)(=O)[O-])C(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC001570007128 1066438865 /nfs/dbraw/zinc/43/88/65/1066438865.db2.gz CNDGVAROPGYRFF-AGHUKTAOSA-N 0 1 614.643 2.417 40 0 KEABMN