smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc2-3)cc1 ZINC000000626105 551503714 /nfs/dbraw/zinc/50/37/14/551503714.db2.gz WKQDCTFSMUXYGX-UHFFFAOYSA-N -1 3 536.631 4.877 50 0 KJAAHM CCOC(=O)c1sc([N-]C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)c(C(=O)OC)c1C ZINC000000649060 551510464 /nfs/dbraw/zinc/51/04/64/551510464.db2.gz IVBLNUIXZYMRNI-UHFFFAOYSA-N -1 3 514.510 4.919 50 0 KJAAHM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)S(C)(=O)=O ZINC000000659865 551515696 /nfs/dbraw/zinc/51/56/96/551515696.db2.gz NIPLKJKTWUCFPI-UHFFFAOYSA-N -1 3 592.910 4.861 50 0 KJAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000668857 551518502 /nfs/dbraw/zinc/51/85/02/551518502.db2.gz WIFXEGRAPKITLU-QFIPXVFZSA-N -1 3 524.371 4.546 50 0 KJAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(Br)ccc2N[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000668858 551518483 /nfs/dbraw/zinc/51/84/83/551518483.db2.gz WIFXEGRAPKITLU-JOCHJYFZSA-N -1 3 524.371 4.546 50 0 KJAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@@H]1c1cccs1 ZINC000000668927 551518505 /nfs/dbraw/zinc/51/85/05/551518505.db2.gz OZRCZCLDKXFRKZ-IBGZPJMESA-N -1 3 519.364 4.663 50 0 KJAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2cc(I)ccc2N[C@H]1c1cccs1 ZINC000000668929 551518455 /nfs/dbraw/zinc/51/84/55/551518455.db2.gz OZRCZCLDKXFRKZ-LJQANCHMSA-N -1 3 519.364 4.663 50 0 KJAAHM CCOc1cc([C@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(I)c1[O-] ZINC000000669424 551518619 /nfs/dbraw/zinc/51/86/19/551518619.db2.gz YPFSTRBMPIBXRR-SFHVURJKSA-N -1 3 522.368 4.863 50 0 KJAAHM CCOc1cc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(I)c1[O-] ZINC000000669426 551518564 /nfs/dbraw/zinc/51/85/64/551518564.db2.gz YPFSTRBMPIBXRR-GOSISDBHSA-N -1 3 522.368 4.863 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1 ZINC000000674237 551520885 /nfs/dbraw/zinc/52/08/85/551520885.db2.gz NTNWTJYBZPJJNA-UHFFFAOYSA-N -1 3 522.364 4.743 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3Br)cc2)cc1 ZINC000000674274 551521201 /nfs/dbraw/zinc/52/12/01/551521201.db2.gz UBTAOGCKHXWXKM-UHFFFAOYSA-N -1 3 519.417 4.975 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)cc1 ZINC000000674598 551521348 /nfs/dbraw/zinc/52/13/48/551521348.db2.gz VLWZOZCUOQNEIW-UHFFFAOYSA-N -1 3 519.417 4.975 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)cc1 ZINC000000674940 551521596 /nfs/dbraw/zinc/52/15/96/551521596.db2.gz KFHMBPSFZPCZAA-UHFFFAOYSA-N -1 3 519.417 4.975 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Cl)cc2)cc1 ZINC000000676580 551522082 /nfs/dbraw/zinc/52/20/82/551522082.db2.gz VVJRDXBESKCUFT-UHFFFAOYSA-N -1 3 525.808 4.929 50 0 KJAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(OCC)cc3)CCCC2=O)cc1 ZINC000000677867 551522200 /nfs/dbraw/zinc/52/22/00/551522200.db2.gz AUQZLUVFYZAWAH-UHFFFAOYSA-N -1 3 568.673 4.996 50 0 KJAAHM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cc(OC)c([O-])c(I)c1Cl ZINC000000679311 551523495 /nfs/dbraw/zinc/52/34/95/551523495.db2.gz CMZUSRSKVYGANO-IBGZPJMESA-N -1 3 556.784 4.762 50 0 KJAAHM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(OC)c([O-])c(I)c1Cl ZINC000000679312 551523513 /nfs/dbraw/zinc/52/35/13/551523513.db2.gz CMZUSRSKVYGANO-LJQANCHMSA-N -1 3 556.784 4.762 50 0 KJAAHM O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000000710981 551533419 /nfs/dbraw/zinc/53/34/19/551533419.db2.gz SWKAVEUTKGKHSR-UHFFFAOYSA-N -1 3 524.234 4.942 50 0 aggregator,in-vitro KJAAHM Cc1[nH]c2ccccc2c1CCn1c(=O)[n-]c(=O)c2c1NC(c1cccs1)=NC2(C(F)(F)F)C(F)(F)F ZINC000000719259 551535712 /nfs/dbraw/zinc/53/57/12/551535712.db2.gz WZDYGLJKGMMFFO-UHFFFAOYSA-N -1 3 541.477 4.823 50 0 KJAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2cccs2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000720155 551536898 /nfs/dbraw/zinc/53/68/98/551536898.db2.gz DCXWNPKJZITEKN-UHFFFAOYSA-N -1 3 576.519 4.830 50 0 KJAAHM Cc1[nH]c2ccccc2c1CCn1c(=O)[n-]c(=O)c2c1NC(c1ccccc1)=NC2(C(F)(F)F)C(F)(F)F ZINC000000720342 551536883 /nfs/dbraw/zinc/53/68/83/551536883.db2.gz GAHGDYPMDKGQFY-UHFFFAOYSA-N -1 3 535.448 4.761 50 0 KJAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2ccccc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000000720570 551537211 /nfs/dbraw/zinc/53/72/11/551537211.db2.gz NTTNJIZFJMODFA-UHFFFAOYSA-N -1 3 570.490 4.769 50 0 KJAAHM COc1ccc(CC(=O)N2CCN(c3ccc([N-]S(=O)(=O)c4ccc5ccccc5c4)cc3)CC2)cc1 ZINC000000740803 551540769 /nfs/dbraw/zinc/54/07/69/551540769.db2.gz RMVZIVVXBBVGSD-UHFFFAOYSA-N -1 3 515.635 4.541 50 0 KJAAHM Cc1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(C)cc4O)C5=O)cc3C2=O)c([O-])c1 ZINC000000754628 561675474 /nfs/dbraw/zinc/67/54/74/561675474.db2.gz HSLWBWZUDWWHNZ-UHFFFAOYSA-N -1 3 532.508 4.547 50 0 KJAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(C(C)=O)c(C)n3S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000000944054 551588135 /nfs/dbraw/zinc/58/81/35/551588135.db2.gz DOTXJDQLFODLQN-UHFFFAOYSA-N -1 3 556.662 4.988 50 0 aggregator KJAAHM CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(OCC)cc2)c2ccc([N-]S(=O)(=O)c3ccc(OCC)cc3)cc21 ZINC000000944056 551588152 /nfs/dbraw/zinc/58/81/52/551588152.db2.gz VELUKUQUJYWKRK-UHFFFAOYSA-N -1 3 586.688 4.962 50 0 KJAAHM O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000000990498 551593665 /nfs/dbraw/zinc/59/36/65/551593665.db2.gz NFXOXDTZAWXIIG-UHFFFAOYSA-N -1 3 514.195 4.535 50 0 KJAAHM O=C([N-]N1C(=O)c2ccccc2N[C@@H]1c1cccc2cccnc21)c1ccccc1I ZINC000000998165 551595163 /nfs/dbraw/zinc/59/51/63/551595163.db2.gz DIHPOCSCICGULP-QFIPXVFZSA-N -1 3 520.330 4.751 50 0 KJAAHM O=C([N-]N1C(=O)c2ccccc2N[C@H]1c1cccc2cccnc21)c1ccccc1I ZINC000000998166 551595117 /nfs/dbraw/zinc/59/51/17/551595117.db2.gz DIHPOCSCICGULP-JOCHJYFZSA-N -1 3 520.330 4.751 50 0 KJAAHM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C(F)(F)F ZINC000001027230 551597959 /nfs/dbraw/zinc/59/79/59/551597959.db2.gz FNZRPBSWUCZUDG-UHFFFAOYSA-N -1 3 507.412 4.887 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000001062499 551601126 /nfs/dbraw/zinc/60/11/26/551601126.db2.gz JZWJZKUKRXWAGH-UHFFFAOYSA-N -1 3 580.526 4.580 50 0 KJAAHM Cc1cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(C)(=O)=O)ccc1Br ZINC000001066855 551602216 /nfs/dbraw/zinc/60/22/16/551602216.db2.gz QMWDCLWDIUJCQW-UHFFFAOYSA-N -1 3 580.526 4.580 50 0 KJAAHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001098529 551608253 /nfs/dbraw/zinc/60/82/53/551608253.db2.gz UFLZJTVOSCFADZ-HNNXBMFYSA-N -1 3 542.466 4.587 50 0 KJAAHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000001098530 551608247 /nfs/dbraw/zinc/60/82/47/551608247.db2.gz UFLZJTVOSCFADZ-OAHLLOKOSA-N -1 3 542.466 4.587 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3I)cc2)cc1C ZINC000001112777 551611818 /nfs/dbraw/zinc/61/18/18/551611818.db2.gz YBRQLIGJBFPVOJ-UHFFFAOYSA-N -1 3 565.458 4.836 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)cc1C ZINC000001113292 551611800 /nfs/dbraw/zinc/61/18/00/551611800.db2.gz YHOQHYZLHYBNPY-UHFFFAOYSA-N -1 3 508.419 4.587 50 0 KJAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc(Br)c1[O-] ZINC000001129200 551614992 /nfs/dbraw/zinc/61/49/92/551614992.db2.gz CBFGJLRCNVOMPU-KRWDZBQOSA-N -1 3 528.384 4.994 50 0 KJAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc(Br)c1[O-] ZINC000001129202 551615063 /nfs/dbraw/zinc/61/50/63/551615063.db2.gz CBFGJLRCNVOMPU-QGZVFWFLSA-N -1 3 528.384 4.994 50 0 KJAAHM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)ccc1Br ZINC000001151825 551619352 /nfs/dbraw/zinc/61/93/52/551619352.db2.gz OLRCJYJZVIEZHZ-UHFFFAOYSA-N -1 3 559.895 4.816 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000001279742 551636414 /nfs/dbraw/zinc/63/64/14/551636414.db2.gz GSQZDYYGRHMAIA-PCCBWWKXSA-N -1 3 555.008 4.724 50 0 KJAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000001314995 551640490 /nfs/dbraw/zinc/64/04/90/551640490.db2.gz DBDWNCIYSTXCGQ-YTCPBCGMSA-N -1 3 550.567 4.974 50 0 KJAAHM N=C(COc1ccc(Cl)cc1)N[N-]S(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001397385 551661235 /nfs/dbraw/zinc/66/12/35/551661235.db2.gz WBGZAWYKYUIJJX-UHFFFAOYSA-N -1 3 539.388 4.899 50 0 KJAAHM CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Cl)c([O-])c(OC)c1 ZINC000001459562 551677672 /nfs/dbraw/zinc/67/76/72/551677672.db2.gz UMRGTYZWSBSXSV-UHFFFAOYSA-N -1 3 531.989 4.565 50 0 KJAAHM O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1nc[n-]c1C(=O)N1CCCCC1 ZINC000001516559 551683801 /nfs/dbraw/zinc/68/38/01/551683801.db2.gz SHVUFOKXTOQPAU-UHFFFAOYSA-N -1 3 515.795 4.935 50 0 KJAAHM O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1[n-]cnc1C(=O)N1CCCCC1 ZINC000001516559 551683799 /nfs/dbraw/zinc/68/37/99/551683799.db2.gz SHVUFOKXTOQPAU-UHFFFAOYSA-N -1 3 515.795 4.935 50 0 KJAAHM CCOC(=O)CCCSc1nnc(CSc2nc3sc(C)c(C)c3c(=O)[n-]2)n1-c1ccccc1 ZINC000001799239 551703309 /nfs/dbraw/zinc/70/33/09/551703309.db2.gz ZONWKJDGLZZPST-UHFFFAOYSA-N -1 3 515.686 4.910 50 0 KJAAHM CCCc1c(C)c2ccc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2oc1=O ZINC000001805018 551704362 /nfs/dbraw/zinc/70/43/62/551704362.db2.gz LIRRRZVNGDMUFZ-AREMUKBSSA-N -1 3 505.592 4.988 50 0 KJAAHM CCCc1c(C)c2ccc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)cc2oc1=O ZINC000001805019 551704517 /nfs/dbraw/zinc/70/45/17/551704517.db2.gz LIRRRZVNGDMUFZ-SANMLTNESA-N -1 3 505.592 4.988 50 0 KJAAHM CCCCOc1ccc(CNC(=O)CCSc2nc3sc4c(c3c(=O)[n-]2)CC(C)(C)OC4)cc1 ZINC000001875870 551722278 /nfs/dbraw/zinc/72/22/78/551722278.db2.gz DIOQXRMYDGUMNL-UHFFFAOYSA-N -1 3 501.674 4.813 50 0 KJAAHM CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002093140 551759770 /nfs/dbraw/zinc/75/97/70/551759770.db2.gz XKFJWFHASXZNSD-AREMUKBSSA-N -1 3 505.592 4.988 50 0 biogenic KJAAHM CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)ccc12 ZINC000002093143 551759787 /nfs/dbraw/zinc/75/97/87/551759787.db2.gz XKFJWFHASXZNSD-SANMLTNESA-N -1 3 505.592 4.988 50 0 biogenic KJAAHM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002121146 551770696 /nfs/dbraw/zinc/77/06/96/551770696.db2.gz OAYCQRPMQSYVCB-QARYAGPDSA-N -1 3 531.033 4.695 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000002121151 551770646 /nfs/dbraw/zinc/77/06/46/551770646.db2.gz OAYCQRPMQSYVCB-ZSJKCPIUSA-N -1 3 531.033 4.695 50 0 KJAAHM CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 ZINC000002150547 551778176 /nfs/dbraw/zinc/77/81/76/551778176.db2.gz JGXVNGFPHHCGFG-HHHXNRCGSA-N -1 3 505.592 4.988 50 0 biogenic KJAAHM CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c12 ZINC000002150550 551778150 /nfs/dbraw/zinc/77/81/50/551778150.db2.gz JGXVNGFPHHCGFG-MHZLTWQESA-N -1 3 505.592 4.988 50 0 biogenic KJAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@@](NC(=O)c1ccco1)(C(=O)OC)C(F)(F)F ZINC000002191928 551790455 /nfs/dbraw/zinc/79/04/55/551790455.db2.gz KJEJKYQCVMRPDI-QFIPXVFZSA-N -1 3 510.490 4.767 50 0 KJAAHM CCOC(=O)c1c(C)c(-c2ccccc2)sc1[N-][C@](NC(=O)c1ccco1)(C(=O)OC)C(F)(F)F ZINC000002191929 551790451 /nfs/dbraw/zinc/79/04/51/551790451.db2.gz KJEJKYQCVMRPDI-JOCHJYFZSA-N -1 3 510.490 4.767 50 0 KJAAHM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000002194706 551791764 /nfs/dbraw/zinc/79/17/64/551791764.db2.gz LXFJBMSVNYCNNA-RISWYLRJSA-N -1 3 545.458 4.795 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000002194709 551791724 /nfs/dbraw/zinc/79/17/24/551791724.db2.gz LXFJBMSVNYCNNA-LMSRTUJASA-N -1 3 545.458 4.795 50 0 KJAAHM COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002332755 552096275 /nfs/dbraw/zinc/09/62/75/552096275.db2.gz AYWFUCDKKWVGTM-IBGZPJMESA-N -1 3 522.779 4.813 50 0 KJAAHM COCCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002332757 552096284 /nfs/dbraw/zinc/09/62/84/552096284.db2.gz AYWFUCDKKWVGTM-LJQANCHMSA-N -1 3 522.779 4.813 50 0 KJAAHM CCc1cc(=O)oc2cc(OC(=O)[C@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002409099 552113157 /nfs/dbraw/zinc/11/31/57/552113157.db2.gz AVJGLSSMWKHGEI-RUZDIDTESA-N -1 3 511.983 4.942 50 0 KJAAHM CCc1cc(=O)oc2cc(OC(=O)[C@@H]([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3)c(Cl)cc12 ZINC000002409100 552113193 /nfs/dbraw/zinc/11/31/93/552113193.db2.gz AVJGLSSMWKHGEI-VWLOTQADSA-N -1 3 511.983 4.942 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002412651 552113918 /nfs/dbraw/zinc/11/39/18/552113918.db2.gz HIWDNABESQCEPP-ZONZVBGPSA-N -1 3 544.560 4.645 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000002414884 552114551 /nfs/dbraw/zinc/11/45/51/552114551.db2.gz GZQFZDNPGFECFD-ZONZVBGPSA-N -1 3 526.570 4.505 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000002417860 552115121 /nfs/dbraw/zinc/11/51/21/552115121.db2.gz MNBFKRRRPRIYNW-ZONZVBGPSA-N -1 3 526.570 4.505 50 0 KJAAHM CCCCn1c(SCc2nc(=O)c3c(C)c(C(=O)OCC)sc3[n-]2)nnc1-c1ccc(OC)cc1 ZINC000002627124 552138882 /nfs/dbraw/zinc/13/88/82/552138882.db2.gz XMTBGWSFNZJMRD-UHFFFAOYSA-N -1 3 513.645 4.829 50 0 KJAAHM CN(C)C(=O)CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)n1-c1ccccc1 ZINC000002636134 552141013 /nfs/dbraw/zinc/14/10/13/552141013.db2.gz ALFFGHBRWXCUNM-UHFFFAOYSA-N -1 3 528.059 4.569 50 0 KJAAHM COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc1)CC2 ZINC000002649038 552145914 /nfs/dbraw/zinc/14/59/14/552145914.db2.gz LTCCJMZCXULIOZ-FMIVXFBMSA-N -1 3 513.015 4.756 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1n[n-]c(COc3ccc(C)cc3)n1)CCCC2 ZINC000002650908 552146338 /nfs/dbraw/zinc/14/63/38/552146338.db2.gz MDYURZBTZFOSML-OAHLLOKOSA-N -1 3 500.646 4.928 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1n[n-]c(COc3ccc(C)cc3)n1)CCCC2 ZINC000002650909 552146368 /nfs/dbraw/zinc/14/63/68/552146368.db2.gz MDYURZBTZFOSML-HNNXBMFYSA-N -1 3 500.646 4.928 50 0 KJAAHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)c(Cl)cc1Cl ZINC000002655787 552148814 /nfs/dbraw/zinc/14/88/14/552148814.db2.gz JPTIVGAWFHARDZ-UHFFFAOYSA-N -1 3 511.402 4.592 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCCC2 ZINC000002717792 552161990 /nfs/dbraw/zinc/16/19/90/552161990.db2.gz AHZWJEZCVPIFJD-CQSZACIVSA-N -1 3 523.640 4.757 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCCC2 ZINC000002717793 552162014 /nfs/dbraw/zinc/16/20/14/552162014.db2.gz AHZWJEZCVPIFJD-AWEZNQCLSA-N -1 3 523.640 4.757 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccccc3)c(=O)[n-]1)CCCCC2 ZINC000002717797 552161969 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/nfs/dbraw/zinc/16/23/27/552162327.db2.gz VTHVJUCUNJSDDY-LBPRGKRZSA-N -1 3 544.058 4.608 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCC2 ZINC000002717944 552162302 /nfs/dbraw/zinc/16/23/02/552162302.db2.gz ODKASPWPCIOQMH-UHFFFAOYSA-N -1 3 523.640 4.677 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCC2 ZINC000002717945 552162282 /nfs/dbraw/zinc/16/22/82/552162282.db2.gz KRMWPPRFYFFTCN-OAHLLOKOSA-N -1 3 537.667 4.654 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCC2 ZINC000002717946 552162312 /nfs/dbraw/zinc/16/23/12/552162312.db2.gz KRMWPPRFYFFTCN-HNNXBMFYSA-N -1 3 537.667 4.654 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCC2 ZINC000002717948 552162260 /nfs/dbraw/zinc/16/22/60/552162260.db2.gz ZDRKUPUBRUVEKM-CQSZACIVSA-N -1 3 523.640 4.676 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCC2 ZINC000002717949 552162285 /nfs/dbraw/zinc/16/22/85/552162285.db2.gz ZDRKUPUBRUVEKM-AWEZNQCLSA-N -1 3 523.640 4.676 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]1)CCCCC2 ZINC000002717950 552162289 /nfs/dbraw/zinc/16/22/89/552162289.db2.gz ODYSLCLYRKHQCS-UHFFFAOYSA-N -1 3 537.667 4.655 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCC2 ZINC000002718011 552162274 /nfs/dbraw/zinc/16/22/74/552162274.db2.gz VJZGSACCXOVONU-GFCCVEGCSA-N -1 3 527.603 4.506 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]1)CCC2 ZINC000002718012 552162277 /nfs/dbraw/zinc/16/22/77/552162277.db2.gz VJZGSACCXOVONU-LBPRGKRZSA-N -1 3 527.603 4.506 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCCC2 ZINC000002718450 552163437 /nfs/dbraw/zinc/16/34/37/552163437.db2.gz WYAOCXLAZKFHFK-UHFFFAOYSA-N -1 3 537.667 4.573 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCCC2 ZINC000002718451 552163483 /nfs/dbraw/zinc/16/34/83/552163483.db2.gz REWLEUXCWCEPNU-MRXNPFEDSA-N -1 3 551.694 4.962 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCCC2 ZINC000002718452 552163452 /nfs/dbraw/zinc/16/34/52/552163452.db2.gz REWLEUXCWCEPNU-INIZCTEOSA-N -1 3 551.694 4.962 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCC2 ZINC000002718453 552163473 /nfs/dbraw/zinc/16/34/73/552163473.db2.gz TYPPVDOHDXPWQF-UHFFFAOYSA-N -1 3 523.640 4.596 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCC2 ZINC000002718454 552163469 /nfs/dbraw/zinc/16/34/69/552163469.db2.gz SSDHQIOFAGXILE-OAHLLOKOSA-N -1 3 537.667 4.572 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCC2 ZINC000002718455 552163447 /nfs/dbraw/zinc/16/34/47/552163447.db2.gz SSDHQIOFAGXILE-HNNXBMFYSA-N -1 3 537.667 4.572 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]1)CCCCC2 ZINC000002718456 552163485 /nfs/dbraw/zinc/16/34/85/552163485.db2.gz BKBXUIQPTNCEKG-UHFFFAOYSA-N -1 3 551.694 4.964 50 0 KJAAHM COc1ccccc1-c1nnc([N-]C(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)o1 ZINC000002723468 552165673 /nfs/dbraw/zinc/16/56/73/552165673.db2.gz NVZWPMAUHZZREV-UHFFFAOYSA-N -1 3 506.584 4.597 50 0 KJAAHM COc1ccc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)o2)c(OC)c1 ZINC000002723519 552165668 /nfs/dbraw/zinc/16/56/68/552165668.db2.gz LZSMYZLOXXIOGN-UHFFFAOYSA-N -1 3 536.610 4.605 50 0 KJAAHM COc1cc(OC)cc(-c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N(Cc4ccccc4)C(C)C)cc3)o2)c1 ZINC000002723536 552165725 /nfs/dbraw/zinc/16/57/25/552165725.db2.gz HGRRSNNGENPVCV-UHFFFAOYSA-N -1 3 536.610 4.605 50 0 KJAAHM O=C([N-]c1nnc(-c2ccc(Cl)s2)o1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000002723587 552165926 /nfs/dbraw/zinc/16/59/26/552165926.db2.gz ZSXGVFZEYQJUQS-UHFFFAOYSA-N -1 3 500.989 4.845 50 0 KJAAHM CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002723591 552165829 /nfs/dbraw/zinc/16/58/29/552165829.db2.gz TVYLDVLEVHUEOJ-UHFFFAOYSA-N -1 3 503.005 4.915 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cc2)cc1 ZINC000002753979 552177186 /nfs/dbraw/zinc/17/71/86/552177186.db2.gz NAFHLWUMCMJVRJ-UHFFFAOYSA-N -1 3 514.991 4.856 50 0 KJAAHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002778867 552188012 /nfs/dbraw/zinc/18/80/12/552188012.db2.gz OGWUJYKFKPIYAZ-LBPRGKRZSA-N -1 3 515.989 4.865 50 0 KJAAHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-]n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002778868 552187948 /nfs/dbraw/zinc/18/79/48/552187948.db2.gz OGWUJYKFKPIYAZ-GFCCVEGCSA-N -1 3 515.989 4.865 50 0 KJAAHM O=C([N-]c1ccc(N2CCOCC2)c2nonc21)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000002782759 552188709 /nfs/dbraw/zinc/18/87/09/552188709.db2.gz HNMHZDASKSIACA-UHFFFAOYSA-N -1 3 549.922 4.755 50 0 KJAAHM COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002796882 552192688 /nfs/dbraw/zinc/19/26/88/552192688.db2.gz YMASZMMWFDYMRC-UHFFFAOYSA-N -1 3 522.779 4.530 50 0 KJAAHM CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002796952 552192656 /nfs/dbraw/zinc/19/26/56/552192656.db2.gz WUGVLSQSQVKIPZ-UHFFFAOYSA-N -1 3 546.414 4.665 50 0 KJAAHM CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc(Br)c1[O-] ZINC000002797539 552192893 /nfs/dbraw/zinc/19/28/93/552192893.db2.gz BDCODUGZZABOBV-UHFFFAOYSA-N -1 3 536.806 4.920 50 0 KJAAHM CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(Br)c([O-])c(OC)c1 ZINC000002805665 552195701 /nfs/dbraw/zinc/19/57/01/552195701.db2.gz YNZYQMJJNBFDSY-UHFFFAOYSA-N -1 3 576.440 4.674 50 0 KJAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc(Br)c1[O-] ZINC000002865738 552205267 /nfs/dbraw/zinc/20/52/67/552205267.db2.gz YZDGOEKWGALJGN-FQEVSTJZSA-N -1 3 502.361 4.630 50 0 KJAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc(Br)c1[O-] ZINC000002865739 552205271 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Cc1c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003303555 552347446 /nfs/dbraw/zinc/34/74/46/552347446.db2.gz BHMFUKBABNIYKP-UHFFFAOYSA-N -1 3 549.411 4.983 50 0 KJAAHM O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000003305653 552349054 /nfs/dbraw/zinc/34/90/54/552349054.db2.gz VRBZJRTZTWXHQB-UHFFFAOYSA-N -1 3 523.994 4.771 50 0 KJAAHM O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000003311332 552351999 /nfs/dbraw/zinc/35/19/99/552351999.db2.gz OMGYGNANTHWDJJ-UHFFFAOYSA-N -1 3 518.378 4.879 50 0 KJAAHM CCn1c2ccccc2c(C(=O)COC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c1-c1ccccc1 ZINC000003338437 552361902 /nfs/dbraw/zinc/36/19/02/552361902.db2.gz WMPWKOZWFHHZFF-SFHVURJKSA-N -1 3 508.571 4.560 50 0 KJAAHM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3Cl)ccc2o1)Nc1ccc(N2CCOCC2)cc1 ZINC000003339168 552362241 /nfs/dbraw/zinc/36/22/41/552362241.db2.gz RZTLGYCEKQOPRN-UHFFFAOYSA-N -1 3 559.069 4.849 50 0 KJAAHM CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccc(Br)cc2)cc1 ZINC000003340042 552362473 /nfs/dbraw/zinc/36/24/73/552362473.db2.gz MWAHCVATEQBTDF-UHFFFAOYSA-N -1 3 512.433 4.663 50 0 KJAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccc2ccccc2c1 ZINC000003342256 552363582 /nfs/dbraw/zinc/36/35/82/552363582.db2.gz IVQIQZMOTOOXJI-QFIPXVFZSA-N -1 3 509.411 4.631 50 0 KJAAHM Cc1ccc(Nc2nc(COC(=O)[C@H](C)[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000003363913 552372404 /nfs/dbraw/zinc/37/24/04/552372404.db2.gz CIMROWGJXHJVBD-ZDUSSCGKSA-N -1 3 500.429 4.912 50 0 KJAAHM O=C(COC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003367388 552374165 /nfs/dbraw/zinc/37/41/65/552374165.db2.gz KFOAKLPIYFBKKM-CCEZHUSRSA-N -1 3 517.028 4.563 50 0 KJAAHM C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003367505 552374183 /nfs/dbraw/zinc/37/41/83/552374183.db2.gz RUVWAZSRHMXJGV-ZDUSSCGKSA-N -1 3 542.828 4.704 50 0 KJAAHM C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003367508 552374173 /nfs/dbraw/zinc/37/41/73/552374173.db2.gz RUVWAZSRHMXJGV-CYBMUJFWSA-N -1 3 542.828 4.704 50 0 KJAAHM CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)[N-]c4nnc(SCc5ccc(F)cc5)s4)cc3C2=O)cc1 ZINC000003369868 552375023 /nfs/dbraw/zinc/37/50/23/552375023.db2.gz RVVBYVCQSDZJLM-UHFFFAOYSA-N -1 3 547.593 4.981 50 0 KJAAHM Cc1cc2oc(=O)cc(COC(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)c2cc1C(C)C ZINC000003376289 552376579 /nfs/dbraw/zinc/37/65/79/552376579.db2.gz RDERBTWMFSTXAN-UHFFFAOYSA-N -1 3 512.411 4.943 50 0 KJAAHM COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)cc1 ZINC000003383770 552378414 /nfs/dbraw/zinc/37/84/14/552378414.db2.gz ROODKOALWZLMRC-UHFFFAOYSA-N -1 3 503.584 4.684 50 0 KJAAHM Cc1ccc(Nc2nc(COC(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)cs2)cc1 ZINC000003397932 552380130 /nfs/dbraw/zinc/38/01/30/552380130.db2.gz UCMFONRKCXGZJZ-UHFFFAOYSA-N -1 3 500.429 4.914 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3)ccc2C)cc1 ZINC000003403286 552380761 /nfs/dbraw/zinc/38/07/61/552380761.db2.gz HWBBQNZIPNNXFL-UHFFFAOYSA-N -1 3 522.364 4.661 50 0 KJAAHM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-][C@H]3CCCc4ccccc43)c2)cc1OC ZINC000003405725 552381347 /nfs/dbraw/zinc/38/13/47/552381347.db2.gz DZJKUNBVYWCEBL-QHCPKHFHSA-N -1 3 529.058 4.686 50 0 KJAAHM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)c2)cc1OC ZINC000003405727 552381352 /nfs/dbraw/zinc/38/13/52/552381352.db2.gz DZJKUNBVYWCEBL-HSZRJFAPSA-N -1 3 529.058 4.686 50 0 KJAAHM CCCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc2Cl)c1C ZINC000003420747 552383631 /nfs/dbraw/zinc/38/36/31/552383631.db2.gz QLSKQTIFKMUQDX-UHFFFAOYSA-N -1 3 503.448 4.796 50 0 KJAAHM O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)[n-]1 ZINC000003427238 552384761 /nfs/dbraw/zinc/38/47/61/552384761.db2.gz GGZWXWIUMHLMJM-QGZVFWFLSA-N -1 3 542.436 4.960 50 0 KJAAHM O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1nc2scc(-c3ccc(Br)cc3)c2c(=O)[n-]1 ZINC000003427242 552384683 /nfs/dbraw/zinc/38/46/83/552384683.db2.gz GGZWXWIUMHLMJM-KRWDZBQOSA-N -1 3 542.436 4.960 50 0 KJAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000003438418 552386927 /nfs/dbraw/zinc/38/69/27/552386927.db2.gz HMURTEQBFDDADR-AWEZNQCLSA-N -1 3 504.391 4.658 50 0 KJAAHM Cc1cc(C)c(-c2cc(NC(=O)COC(=O)C[N-]S(=O)(=O)/C=C/c3ccccc3)n(-c3ccccc3)n2)cc1C ZINC000003450644 552388839 /nfs/dbraw/zinc/38/88/39/552388839.db2.gz CVYMRLGAZCYIJP-CCEZHUSRSA-N -1 3 558.660 4.537 50 0 KJAAHM COC(=O)[N-]C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457067 552389660 /nfs/dbraw/zinc/38/96/60/552389660.db2.gz AHZLUPHKQPSSNK-UHFFFAOYSA-N -1 3 503.422 4.969 50 0 KJAAHM COC([O-])=NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457067 552389658 /nfs/dbraw/zinc/38/96/58/552389658.db2.gz AHZLUPHKQPSSNK-UHFFFAOYSA-N -1 3 503.422 4.969 50 0 KJAAHM CCSc1nnc2c(n1)O[C@@]1([N-]c3ccc(Br)cc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000003645293 552401636 /nfs/dbraw/zinc/40/16/36/552401636.db2.gz OLDWXKDCEWHQKL-LJQANCHMSA-N -1 3 535.221 4.785 50 0 biogenic KJAAHM CCSc1nnc2c(n1)O[C@]1([N-]c3ccc(Br)cc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000003645294 552401608 /nfs/dbraw/zinc/40/16/08/552401608.db2.gz OLDWXKDCEWHQKL-IBGZPJMESA-N -1 3 535.221 4.785 50 0 biogenic KJAAHM COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000003655047 552403448 /nfs/dbraw/zinc/40/34/48/552403448.db2.gz UAIUBZPSICDHER-UHFFFAOYSA-N -1 3 574.375 4.832 50 0 KJAAHM COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3cc(Cl)ccc3[O-])n2)cc1OC ZINC000003655079 552403784 /nfs/dbraw/zinc/40/37/84/552403784.db2.gz XMVUDEFWNCLGDH-UHFFFAOYSA-N -1 3 559.950 4.731 50 0 KJAAHM O=C(CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(Br)ccc1[O-] ZINC000003655095 552404006 /nfs/dbraw/zinc/40/40/06/552404006.db2.gz RIADDUOEYJRTQS-UHFFFAOYSA-N -1 3 550.378 4.885 50 0 KJAAHM COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656019 552404241 /nfs/dbraw/zinc/40/42/41/552404241.db2.gz XQCMRKHYPGQSQH-QFIPXVFZSA-N -1 3 536.334 4.744 50 0 KJAAHM COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656020 552404222 /nfs/dbraw/zinc/40/42/22/552404222.db2.gz XQCMRKHYPGQSQH-JOCHJYFZSA-N -1 3 536.334 4.744 50 0 KJAAHM COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656167 552405113 /nfs/dbraw/zinc/40/51/13/552405113.db2.gz MFGVFIPWGLKOGG-QFIPXVFZSA-N -1 3 554.324 4.883 50 0 KJAAHM COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000003656168 552405062 /nfs/dbraw/zinc/40/50/62/552405062.db2.gz MFGVFIPWGLKOGG-JOCHJYFZSA-N -1 3 554.324 4.883 50 0 KJAAHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000003812144 552418608 /nfs/dbraw/zinc/41/86/08/552418608.db2.gz MOTJMGVDPWRKOC-QPVYNBJUSA-N -1 3 510.631 4.694 50 0 investigational KJAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(NS(=O)(=O)c3ccc(C)cc3)c(C)c(N3CCCC3=O)c2C)cc1 ZINC000003832502 1066371452 /nfs/dbraw/zinc/37/14/52/1066371452.db2.gz GTOZSYTYTBXLSA-UHFFFAOYSA-N -1 3 527.668 4.649 50 0 KJAAHM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Cl)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000004020782 552430059 /nfs/dbraw/zinc/43/00/59/552430059.db2.gz DILWNRDKPPRYLQ-UHFFFAOYSA-N -1 3 515.013 4.821 50 0 KJAAHM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000004020821 552430044 /nfs/dbraw/zinc/43/00/44/552430044.db2.gz BEJGFJPMIBKWIG-UHFFFAOYSA-N -1 3 559.464 4.931 50 0 KJAAHM O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000004157126 552443442 /nfs/dbraw/zinc/44/34/42/552443442.db2.gz SAEHAMYQBWUZGD-LMHXZZLNSA-N -1 3 525.196 4.802 50 0 KJAAHM O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000004157128 552443374 /nfs/dbraw/zinc/44/33/74/552443374.db2.gz SAEHAMYQBWUZGD-TUUBTQOTSA-N -1 3 525.196 4.802 50 0 KJAAHM O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000004157130 552443453 /nfs/dbraw/zinc/44/34/53/552443453.db2.gz SAEHAMYQBWUZGD-CSKPTYFESA-N -1 3 525.196 4.802 50 0 KJAAHM O=C(Nc1ccccc1Br)N1CCc2nc(Cc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000004157792 552443671 /nfs/dbraw/zinc/44/36/71/552443671.db2.gz KFUFXVONBNHHHN-UHFFFAOYSA-N -1 3 507.310 4.732 50 0 KJAAHM CCOC(=O)[C@]([N-]S(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C ZINC000004277116 552455686 /nfs/dbraw/zinc/45/56/86/552455686.db2.gz KREHTTSFYWSORW-LJQANCHMSA-N -1 3 517.503 4.633 50 0 KJAAHM CCOC(=O)[C@@]([N-]S(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C ZINC000004277117 552455752 /nfs/dbraw/zinc/45/57/52/552455752.db2.gz KREHTTSFYWSORW-IBGZPJMESA-N -1 3 517.503 4.633 50 0 KJAAHM COc1cc(OC)cc(C(=O)[N-]n2cc(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc3c2=O)c1 ZINC000004757308 552475915 /nfs/dbraw/zinc/47/59/15/552475915.db2.gz QMNGRZZEUPVPAQ-UHFFFAOYSA-N -1 3 511.456 4.674 50 0 KJAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)CC1 ZINC000004794056 552485532 /nfs/dbraw/zinc/48/55/32/552485532.db2.gz ZLVZBVFMHQBKIZ-JOCHJYFZSA-N -1 3 568.946 4.841 50 0 KJAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)CC1 ZINC000004794059 552485450 /nfs/dbraw/zinc/48/54/50/552485450.db2.gz ZLVZBVFMHQBKIZ-QFIPXVFZSA-N -1 3 568.946 4.841 50 0 KJAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000004794187 552485899 /nfs/dbraw/zinc/48/58/99/552485899.db2.gz BLXBIBPZDKPIHU-UHFFFAOYSA-N -1 3 560.967 4.598 50 0 KJAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004794195 552486204 /nfs/dbraw/zinc/48/62/04/552486204.db2.gz WEZKEBFWLIWXKK-UHFFFAOYSA-N -1 3 560.967 4.598 50 0 KJAAHM Cc1cccc(N2CCN(C(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1C ZINC000004794199 552486237 /nfs/dbraw/zinc/48/62/37/552486237.db2.gz YCONNFGVAURJLS-UHFFFAOYSA-N -1 3 554.576 4.561 50 0 KJAAHM Cc1ccc(C)c(N2CCN(C(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)CC2)c1 ZINC000004794202 552486210 /nfs/dbraw/zinc/48/62/10/552486210.db2.gz NUTYQAIFPNKTFN-UHFFFAOYSA-N -1 3 554.576 4.561 50 0 KJAAHM Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)CC1 ZINC000004794205 552486071 /nfs/dbraw/zinc/48/60/71/552486071.db2.gz CUDACJNEBCFVLP-UHFFFAOYSA-N -1 3 574.994 4.906 50 0 KJAAHM O=C(C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004794211 552486216 /nfs/dbraw/zinc/48/62/16/552486216.db2.gz DLGKCDPLXHRJOS-UHFFFAOYSA-N -1 3 594.519 4.963 50 0 KJAAHM Cc1ccc(N2CCN(C(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)C[C@@H]2C)cc1 ZINC000004794217 552486243 /nfs/dbraw/zinc/48/62/43/552486243.db2.gz SFIMMOGFOCFEOH-HDYDNRTBSA-N -1 3 554.576 4.641 50 0 KJAAHM Cc1ccc(N2CCN(C(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)C[C@H]2C)cc1 ZINC000004794220 552486145 /nfs/dbraw/zinc/48/61/45/552486145.db2.gz SFIMMOGFOCFEOH-XEVCZEQESA-N -1 3 554.576 4.641 50 0 KJAAHM CCOC(=O)c1nnsc1[N-]C(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3snnc3C(=O)OCC)cc2)cc1 ZINC000005822958 552510418 /nfs/dbraw/zinc/51/04/18/552510418.db2.gz JMILYTJKJYXVML-UHFFFAOYSA-N -1 3 596.651 4.622 50 0 KJAAHM CC1(C)O[C@@H]2[C@H](O1)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2n1cnc2c1nc[n-]c2=O ZINC000005917903 552511803 /nfs/dbraw/zinc/51/18/03/552511803.db2.gz KCWRKFVKIDINBP-SVOGPNEYSA-N -1 3 550.615 4.546 50 0 KJAAHM CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[n-]c4=O)[C@@H]2O1 ZINC000005917909 552511787 /nfs/dbraw/zinc/51/17/87/552511787.db2.gz KCWRKFVKIDINBP-BQOYKFDPSA-N -1 3 550.615 4.546 50 0 KJAAHM COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000005929500 552513382 /nfs/dbraw/zinc/51/33/82/552513382.db2.gz UDHAFKXARZSLDD-YXDQGSNCSA-N -1 3 610.448 4.777 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3I)c2)cc1 ZINC000005940485 552513364 /nfs/dbraw/zinc/51/33/64/552513364.db2.gz RKTFUVHPBANQND-UHFFFAOYSA-N -1 3 552.390 4.752 50 0 KJAAHM CCOc1ccccc1N1CCN(Cn2c3cc(S(=O)(=O)[N-]c4ccc(OC)cc4)ccc3oc2=S)CC1 ZINC000005940648 552513685 /nfs/dbraw/zinc/51/36/85/552513685.db2.gz LVZQPXVUNUNIHT-UHFFFAOYSA-N -1 3 554.694 4.952 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1C ZINC000006038852 552520985 /nfs/dbraw/zinc/52/09/85/552520985.db2.gz ZMQTYDGPERAXRW-UHFFFAOYSA-N -1 3 538.622 4.978 50 0 biogenic KJAAHM O=S(=O)(CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)nc1)[N-]c1ccc(Oc2ccc(F)cc2F)nc1 ZINC000006058934 552521293 /nfs/dbraw/zinc/52/12/93/552521293.db2.gz VSOBGCCLPDLNLT-UHFFFAOYSA-N -1 3 584.529 4.759 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1 ZINC000006101529 552534414 /nfs/dbraw/zinc/53/44/14/552534414.db2.gz IBFPCZIMFJOHCL-UHFFFAOYSA-N -1 3 524.595 4.669 50 0 KJAAHM O=C(COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006144259 552545823 /nfs/dbraw/zinc/54/58/23/552545823.db2.gz YAURGMSJOVUXMU-CCEZHUSRSA-N -1 3 520.485 4.793 50 0 KJAAHM CCN(Cc1ccccc1)C(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1[O-] ZINC000006181039 552561164 /nfs/dbraw/zinc/56/11/64/552561164.db2.gz ZHLPMAAVHXVPCI-UHFFFAOYSA-N -1 3 503.624 4.714 50 0 KJAAHM CN(C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1[O-])C1CCCCC1 ZINC000006181242 552561624 /nfs/dbraw/zinc/56/16/24/552561624.db2.gz YKYAWVLKWVOWRO-UHFFFAOYSA-N -1 3 532.460 4.520 50 0 KJAAHM COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c([O-])c2c1 ZINC000006181278 552561696 /nfs/dbraw/zinc/56/16/96/552561696.db2.gz KMGAGJRKSQHQIO-UHFFFAOYSA-N -1 3 530.046 4.636 50 0 KJAAHM CCN(Cc1ccccc1)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1[O-] ZINC000006181326 552561561 /nfs/dbraw/zinc/56/15/61/552561561.db2.gz IXNYBEXZZJLFBV-UHFFFAOYSA-N -1 3 510.015 4.669 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)cc2)cc1 ZINC000006183512 552562701 /nfs/dbraw/zinc/56/27/01/552562701.db2.gz HRYZNJPYMPAMNE-UHFFFAOYSA-N -1 3 526.968 4.890 50 0 KJAAHM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N(C)Cc4ccccc4)c([O-])c3c2)cc1 ZINC000006296717 552579039 /nfs/dbraw/zinc/57/90/39/552579039.db2.gz WMPPQABJNAHWKT-UHFFFAOYSA-N -1 3 503.624 4.749 50 0 KJAAHM CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NC3CCCCCC3)c([O-])c2c1 ZINC000006296741 552579004 /nfs/dbraw/zinc/57/90/04/552579004.db2.gz DDCXYGUOJSDHOQ-UHFFFAOYSA-N -1 3 532.460 4.568 50 0 KJAAHM O=c1oc2c(I)cc(I)cc2cc1-c1nc2ccccc2[n-]1 ZINC000006446918 552589754 /nfs/dbraw/zinc/58/97/54/552589754.db2.gz ISMRXXLDADHTLA-UHFFFAOYSA-N -1 3 514.060 4.546 50 0 KJAAHM CCOC(=O)c1sc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)c(C(=O)Nc2ccccc2)c1C ZINC000006492008 552595769 /nfs/dbraw/zinc/59/57/69/552595769.db2.gz QXDYYGYJIIFLAW-UHFFFAOYSA-N -1 3 511.585 4.594 50 0 KJAAHM CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)c(C(=O)Nc2ccccc2)c1C ZINC000006492008 552595766 /nfs/dbraw/zinc/59/57/66/552595766.db2.gz QXDYYGYJIIFLAW-UHFFFAOYSA-N -1 3 511.585 4.594 50 0 KJAAHM CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)c(C(=O)Nc2ccccc2)c1C ZINC000006492008 552595763 /nfs/dbraw/zinc/59/57/63/552595763.db2.gz QXDYYGYJIIFLAW-UHFFFAOYSA-N -1 3 511.585 4.594 50 0 KJAAHM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc([O-])ccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000008396718 552995844 /nfs/dbraw/zinc/99/58/44/552995844.db2.gz CFIRIJNLMUJMKU-UHFFFAOYSA-N -1 3 559.464 4.931 50 0 KJAAHM COc1cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Br)c1[O-] ZINC000008397157 552996333 /nfs/dbraw/zinc/99/63/33/552996333.db2.gz IVMNZGSDQPVWOJ-UHFFFAOYSA-N -1 3 589.490 4.939 50 0 KJAAHM COc1ccccc1OCC(=O)Nc1ccc(Cc2ccc(NC(=O)COc3ccccc3OC)c(O)c2)cc1[O-] ZINC000008417660 553013025 /nfs/dbraw/zinc/01/30/25/553013025.db2.gz XXNCTWBATPXOMJ-UHFFFAOYSA-N -1 3 558.587 4.741 50 0 KJAAHM COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000008441937 553042927 /nfs/dbraw/zinc/04/29/27/553042927.db2.gz UDHAFKXARZSLDD-ITIZVALFSA-N -1 3 610.448 4.777 50 0 KJAAHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008444796 553051610 /nfs/dbraw/zinc/05/16/10/553051610.db2.gz PVVNAXLMFQPQRJ-BQKWAYIGSA-N -1 3 609.473 4.551 50 0 KJAAHM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008444797 553051705 /nfs/dbraw/zinc/05/17/05/553051705.db2.gz PVVNAXLMFQPQRJ-GMPUOFRTSA-N -1 3 609.473 4.551 50 0 KJAAHM CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591228 553082286 /nfs/dbraw/zinc/08/22/86/553082286.db2.gz WPLKDPVLIQLEKA-AREMUKBSSA-N -1 3 525.001 4.701 50 0 KJAAHM CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1[O-] ZINC000008591229 553082217 /nfs/dbraw/zinc/08/22/17/553082217.db2.gz WPLKDPVLIQLEKA-SANMLTNESA-N -1 3 525.001 4.701 50 0 KJAAHM O=C(NCc1ccccc1Cl)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000008594045 553087130 /nfs/dbraw/zinc/08/71/30/553087130.db2.gz DUWWJKKKJDFJTL-UHFFFAOYSA-N -1 3 505.887 4.565 50 0 KJAAHM CCOc1ccc(NC(=O)C2CCC(C[N-]S(=O)(=O)c3ccc(Br)s3)CC2)cc1 ZINC000008594054 553087443 /nfs/dbraw/zinc/08/74/43/553087443.db2.gz SVJMWKBEUOGZGT-UHFFFAOYSA-N -1 3 501.468 4.633 50 0 aggregator KJAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596303 553090008 /nfs/dbraw/zinc/09/00/08/553090008.db2.gz RMRXZHIBZLUXNE-SFHVURJKSA-N -1 3 540.976 4.892 50 0 KJAAHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000008596304 553089984 /nfs/dbraw/zinc/08/99/84/553089984.db2.gz RMRXZHIBZLUXNE-GOSISDBHSA-N -1 3 540.976 4.892 50 0 KJAAHM O=C(/C=C/c1cccs1)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000008687881 553116849 /nfs/dbraw/zinc/11/68/49/553116849.db2.gz QGFUSUNISSHGDD-CSKARUKUSA-N -1 3 504.033 4.691 50 0 KJAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F ZINC000008691944 553118057 /nfs/dbraw/zinc/11/80/57/553118057.db2.gz HNJFNNBIALTGRO-IBGZPJMESA-N -1 3 509.333 4.742 50 0 KJAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F ZINC000008691945 553118012 /nfs/dbraw/zinc/11/80/12/553118012.db2.gz HNJFNNBIALTGRO-LJQANCHMSA-N -1 3 509.333 4.742 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1cccs1)CCCC2 ZINC000008741691 553133075 /nfs/dbraw/zinc/13/30/75/553133075.db2.gz WSKABRHZVHHUGL-YPAWHYETSA-N -1 3 508.621 4.835 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccccc1)CCCC2 ZINC000008741712 553132985 /nfs/dbraw/zinc/13/29/85/553132985.db2.gz SZKOLGDUOUMZTP-WXFUMESZSA-N -1 3 502.592 4.773 50 0 KJAAHM CCOC(=O)N[C@]([N-]c1sc(-c2ccccc2)c(C)c1C(=O)OCC)(C(=O)OCC)C(F)(F)F ZINC000008854911 553167071 /nfs/dbraw/zinc/16/70/71/553167071.db2.gz BFUBJHWOIQMWQM-OAQYLSRUSA-N -1 3 502.511 4.880 50 0 KJAAHM COC(=O)C1=CN(CC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(Cl)c([O-])c(OC)c1 ZINC000008869819 553171229 /nfs/dbraw/zinc/17/12/29/553171229.db2.gz URSNOWPIGDBTHB-UHFFFAOYSA-N -1 3 502.007 4.784 50 0 KJAAHM COC(=O)C1=CN(CCOC23CC4CC(CC(C4)C2)C3)C=C(C(=O)OC)C1c1cc(Cl)c([O-])c(OC)c1 ZINC000008869821 553171249 /nfs/dbraw/zinc/17/12/49/553171249.db2.gz IJNOUPRQNVGBAN-UHFFFAOYSA-N -1 3 532.033 4.553 50 0 KJAAHM Cc1ccc(C([O-])=C2[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915333 553186342 /nfs/dbraw/zinc/18/63/42/553186342.db2.gz WLHYSJSSHHCULO-WFIHMLKPSA-N -1 3 520.511 4.952 50 0 KJAAHM Cc1ccc(C([O-])=C2[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915335 553186292 /nfs/dbraw/zinc/18/62/92/553186292.db2.gz WLHYSJSSHHCULO-CAKYRVLISA-N -1 3 520.511 4.952 50 0 KJAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nc(S(=O)(=O)Cc2cccc(C)c2)ncc1Cl ZINC000008917393 553187184 /nfs/dbraw/zinc/18/71/84/553187184.db2.gz UPLFFGUAKQTDGA-UHFFFAOYSA-N -1 3 508.021 4.520 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111195 553210261 /nfs/dbraw/zinc/21/02/61/553210261.db2.gz WDKOIKGDAKLJBU-LCUIVBHPSA-N -1 3 508.574 4.656 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000009111196 553210265 /nfs/dbraw/zinc/21/02/65/553210265.db2.gz WDKOIKGDAKLJBU-KFZSMJGVSA-N -1 3 508.574 4.656 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111197 553210283 /nfs/dbraw/zinc/21/02/83/553210283.db2.gz WDKOIKGDAKLJBU-WCUAIIBCSA-N -1 3 508.574 4.656 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009111198 553210356 /nfs/dbraw/zinc/21/03/56/553210356.db2.gz WDKOIKGDAKLJBU-WKUVLXMOSA-N -1 3 508.574 4.656 50 0 KJAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009123867 553212563 /nfs/dbraw/zinc/21/25/63/553212563.db2.gz UGELFIFSARJFIB-RUZDIDTESA-N -1 3 520.973 4.910 50 0 KJAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000009123965 553212567 /nfs/dbraw/zinc/21/25/67/553212567.db2.gz UGELFIFSARJFIB-VWLOTQADSA-N -1 3 520.973 4.910 50 0 KJAAHM COc1cc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000009124103 553212820 /nfs/dbraw/zinc/21/28/20/553212820.db2.gz QQLHYVHZTHTVJF-HHHXNRCGSA-N -1 3 519.985 4.869 50 0 KJAAHM COc1cc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)ccc1OCc1ccccc1 ZINC000009124104 553212873 /nfs/dbraw/zinc/21/28/73/553212873.db2.gz QQLHYVHZTHTVJF-MHZLTWQESA-N -1 3 519.985 4.869 50 0 KJAAHM O=C(N1CCC(c2nc3c(nnn3Cc3ccccc3F)c(=O)[n-]2)CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000009202344 553220090 /nfs/dbraw/zinc/22/00/90/553220090.db2.gz GIURGSQYIJFQBD-UHFFFAOYSA-N -1 3 520.996 4.596 50 0 KJAAHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000009233564 553224337 /nfs/dbraw/zinc/22/43/37/553224337.db2.gz YELROHKDTAKXGO-FRKPEAEDSA-N -1 3 511.781 4.800 50 0 KJAAHM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc(Br)c1[O-] ZINC000009233616 553224576 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ZINC000016448362 553564938 /nfs/dbraw/zinc/56/49/38/553564938.db2.gz NGUQUWBJCDDVRR-UHFFFAOYSA-N -1 3 512.756 4.998 50 0 KJAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[n-]c2=O ZINC000016974253 553585775 /nfs/dbraw/zinc/58/57/75/553585775.db2.gz LMGZBUAALAGVKL-UHFFFAOYSA-N -1 3 509.897 4.933 50 0 KJAAHM Cc1cc(N2CCOCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000017013815 553586602 /nfs/dbraw/zinc/58/66/02/553586602.db2.gz YUUUDXWYFWMZKS-UHFFFAOYSA-N -1 3 501.612 4.833 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3sc4c(c3c(=O)[n-]1)CCCC4)CCCC2 ZINC000017045125 553587430 /nfs/dbraw/zinc/58/74/30/553587430.db2.gz CZLWLCQZWYDPIR-UHFFFAOYSA-N -1 3 503.671 4.711 50 0 KJAAHM O=C(Cc1csc(Nc2[n-]c(=S)nc3ccccc32)n1)NCCCN1CCN(c2ccccc2F)CC1 ZINC000017337624 553593610 /nfs/dbraw/zinc/59/36/10/553593610.db2.gz LIDOOAJDRNFUAK-UHFFFAOYSA-N -1 3 537.690 4.503 50 0 KJAAHM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018010912 553601438 /nfs/dbraw/zinc/60/14/38/553601438.db2.gz BZYYLYYTEBWSRW-VJGNERBWSA-N -1 3 502.567 4.934 50 0 KJAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018033630 553601909 /nfs/dbraw/zinc/60/19/09/553601909.db2.gz LRBKOSZXIYIYBS-PFBJBMPXSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000018038130 553601839 /nfs/dbraw/zinc/60/18/39/553601839.db2.gz GLCNHWBHNNLGNE-IARZGTGTSA-N -1 3 520.541 4.966 50 0 KJAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000018054735 553602217 /nfs/dbraw/zinc/60/22/17/553602217.db2.gz DPSCPAUNQJIQFK-ZRBLBEILSA-N -1 3 509.356 4.517 50 0 KJAAHM COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000018059857 553602439 /nfs/dbraw/zinc/60/24/39/553602439.db2.gz RHWGIEUEWUDEIY-VABKMULXSA-N -1 3 510.377 4.570 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Br)cc1)[C@H]2c1cccnc1 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COc1cc(OC)c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018207080 553610548 /nfs/dbraw/zinc/61/05/48/553610548.db2.gz BVYWYZXWCUQGJJ-FCEKVYKBSA-N -1 3 510.546 4.917 50 0 KJAAHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(N2CCOCC2)cc1 ZINC000020100670 553686733 /nfs/dbraw/zinc/68/67/33/553686733.db2.gz GBZYRGHRSUYICI-UHFFFAOYSA-N -1 3 506.411 4.883 50 0 KJAAHM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N5CCN(C6CCCCC6)CC5)cc4)c3=O)c2c1 ZINC000020131609 553591637 /nfs/dbraw/zinc/59/16/37/553591637.db2.gz FVQVBOQRBUOBGS-UHFFFAOYSA-N -1 3 531.682 4.688 50 0 KJAAHM CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154398 553598651 /nfs/dbraw/zinc/59/86/51/553598651.db2.gz XQJNRHCLXFTFFL-QGZVFWFLSA-N -1 3 511.488 4.761 50 0 KJAAHM CSc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000020154400 553598670 /nfs/dbraw/zinc/59/86/70/553598670.db2.gz XQJNRHCLXFTFFL-KRWDZBQOSA-N -1 3 511.488 4.761 50 0 KJAAHM COc1cc2nc(=S)n3nc(C4CCN(C(=O)c5cc(F)c(Cl)cc5F)CC4)[n-]c3c2cc1OC ZINC000020216165 553614032 /nfs/dbraw/zinc/61/40/32/553614032.db2.gz KDCFHZRUGRFWDN-UHFFFAOYSA-N -1 3 519.961 4.535 50 0 KJAAHM O=c1[n-]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(CCc1ccccc1)N2 ZINC000020267788 553630566 /nfs/dbraw/zinc/63/05/66/553630566.db2.gz GJZHTKBHKLONJY-UHFFFAOYSA-N -1 3 510.438 4.556 50 0 KJAAHM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3ccccc3C)cc1)CCC2 ZINC000020418918 553648065 /nfs/dbraw/zinc/64/80/65/553648065.db2.gz GALVJSZVODVDGB-UHFFFAOYSA-N -1 3 501.655 4.942 50 0 KJAAHM Cc1ccc(N2CCN(CCc3nc4cc([N-]S(=O)(=O)c5ccc(Cl)cc5)ccc4n3C)CC2)cc1 ZINC000020533426 553670710 /nfs/dbraw/zinc/67/07/10/553670710.db2.gz KGOREJQEDRVSHM-UHFFFAOYSA-N -1 3 524.090 4.701 50 0 KJAAHM CC(C)(CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000020618429 553681061 /nfs/dbraw/zinc/68/10/61/553681061.db2.gz AEYLPKFIUOFPIF-UHFFFAOYSA-N -1 3 530.694 4.749 50 0 KJAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020644042 553683816 /nfs/dbraw/zinc/68/38/16/553683816.db2.gz XMRAUINIUVAYMS-UHFFFAOYSA-N -1 3 519.070 4.781 50 0 KJAAHM CN(CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1 ZINC000020644066 553683798 /nfs/dbraw/zinc/68/37/98/553683798.db2.gz JTMRKLOTJUIIGB-UHFFFAOYSA-N -1 3 507.059 4.639 50 0 KJAAHM COc1ccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000021548894 553712228 /nfs/dbraw/zinc/71/22/28/553712228.db2.gz BXTNCNBSFRNATM-RUZDIDTESA-N -1 3 509.488 4.877 50 0 KJAAHM COc1ccc(-c2cc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000021548895 553712222 /nfs/dbraw/zinc/71/22/22/553712222.db2.gz BXTNCNBSFRNATM-VWLOTQADSA-N -1 3 509.488 4.877 50 0 KJAAHM COc1ccccc1[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)N1CCCC1 ZINC000023079049 553769871 /nfs/dbraw/zinc/76/98/71/553769871.db2.gz FRNUVKBVOALBDF-RUZDIDTESA-N -1 3 511.619 4.510 50 0 KJAAHM COc1ccccc1[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)N1CCCC1 ZINC000023079051 553769911 /nfs/dbraw/zinc/76/99/11/553769911.db2.gz FRNUVKBVOALBDF-VWLOTQADSA-N -1 3 511.619 4.510 50 0 KJAAHM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023157985 553771069 /nfs/dbraw/zinc/77/10/69/553771069.db2.gz UXSHYCMISHWBQT-HSZRJFAPSA-N -1 3 508.644 4.875 50 0 KJAAHM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023157988 553771046 /nfs/dbraw/zinc/77/10/46/553771046.db2.gz UXSHYCMISHWBQT-QHCPKHFHSA-N -1 3 508.644 4.875 50 0 KJAAHM COC(=O)c1sc2[n-]c(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)nc(=O)c2c1C ZINC000023989461 553787795 /nfs/dbraw/zinc/78/77/95/553787795.db2.gz ISHATIDCKGKRJO-UHFFFAOYSA-N -1 3 507.597 4.580 50 0 KJAAHM CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000025389945 553806999 /nfs/dbraw/zinc/80/69/99/553806999.db2.gz JVBGTDKMMKHHCA-UHFFFAOYSA-N -1 3 529.058 4.803 50 0 KJAAHM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000027025618 553824873 /nfs/dbraw/zinc/82/48/73/553824873.db2.gz YQNFHGNEPXUQMR-OPYAIIAOSA-N -1 3 509.278 4.813 50 0 KJAAHM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000027025624 553824878 /nfs/dbraw/zinc/82/48/78/553824878.db2.gz YQNFHGNEPXUQMR-DBXWQHBBSA-N -1 3 509.278 4.813 50 0 KJAAHM COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000027527617 553830520 /nfs/dbraw/zinc/83/05/20/553830520.db2.gz YTFRNICKIVDKKC-UHFFFAOYSA-N -1 3 500.338 4.537 50 0 KJAAHM Cc1c(Br)c(C(F)(F)F)nn1CC(=O)[N-]n1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528435 553831563 /nfs/dbraw/zinc/83/15/63/553831563.db2.gz TZIQXCUVYMLTAS-UHFFFAOYSA-N -1 3 512.330 4.501 50 0 KJAAHM COc1ccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000027528458 553831650 /nfs/dbraw/zinc/83/16/50/553831650.db2.gz VWZHYOBVRJHEOP-UHFFFAOYSA-N -1 3 500.338 4.537 50 0 KJAAHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624074 553870233 /nfs/dbraw/zinc/87/02/33/553870233.db2.gz YFKDPQBDBKWUKB-IMSXRSKXSA-N -1 3 506.452 4.978 50 0 KJAAHM CCCOc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000032624078 553870355 /nfs/dbraw/zinc/87/03/55/553870355.db2.gz YFKDPQBDBKWUKB-HFMPRLQTSA-N -1 3 506.452 4.978 50 0 KJAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)cc5)cc4)cn3)n2)cc1 ZINC000032974753 553883681 /nfs/dbraw/zinc/88/36/81/553883681.db2.gz FCFRIUKKJKDVCM-UHFFFAOYSA-N -1 3 501.568 4.766 50 0 KJAAHM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)cc5)cc4)cn3)n2)cc1 ZINC000032974754 553883836 /nfs/dbraw/zinc/88/38/36/553883836.db2.gz SXAMUHTYAYYZNK-UHFFFAOYSA-N -1 3 505.531 4.597 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1 ZINC000032974775 553883645 /nfs/dbraw/zinc/88/36/45/553883645.db2.gz SETWWBPLFBQHJY-UHFFFAOYSA-N -1 3 501.568 4.766 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1 ZINC000032974787 553884010 /nfs/dbraw/zinc/88/40/10/553884010.db2.gz WAVVAYTXCOCDSQ-UHFFFAOYSA-N -1 3 505.531 4.597 50 0 KJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985179 553885464 /nfs/dbraw/zinc/88/54/64/553885464.db2.gz QFNYNDWGZMYRHR-HXUWFJFHSA-N -1 3 510.660 4.599 50 0 KJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985180 553885539 /nfs/dbraw/zinc/88/55/39/553885539.db2.gz QFNYNDWGZMYRHR-FQEVSTJZSA-N -1 3 510.660 4.599 50 0 KJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000032985220 553885984 /nfs/dbraw/zinc/88/59/84/553885984.db2.gz MYGXAPVVWZVZKD-OAQYLSRUSA-N -1 3 524.687 4.907 50 0 KJAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)c(C)c1 ZINC000032985221 553886015 /nfs/dbraw/zinc/88/60/15/553886015.db2.gz MYGXAPVVWZVZKD-NRFANRHFSA-N -1 3 524.687 4.907 50 0 KJAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985240 553885886 /nfs/dbraw/zinc/88/58/86/553885886.db2.gz GJSKMJYUSIVFMT-FQEVSTJZSA-N -1 3 524.687 4.853 50 0 KJAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CC[NH+]([C@H](C)CC(C)C)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000032985241 553886257 /nfs/dbraw/zinc/88/62/57/553886257.db2.gz GJSKMJYUSIVFMT-HXUWFJFHSA-N -1 3 524.687 4.853 50 0 KJAAHM COc1ccc([C@@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)N2CCCC2)cc1 ZINC000033023399 553888569 /nfs/dbraw/zinc/88/85/69/553888569.db2.gz IPLYZFWUNYFCAR-AREMUKBSSA-N -1 3 511.619 4.510 50 0 KJAAHM COc1ccc([C@H](CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)N2CCCC2)cc1 ZINC000033023401 553888580 /nfs/dbraw/zinc/88/85/80/553888580.db2.gz IPLYZFWUNYFCAR-SANMLTNESA-N -1 3 511.619 4.510 50 0 KJAAHM COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)N2CCCC2)cc1 ZINC000033023409 553888888 /nfs/dbraw/zinc/88/88/88/553888888.db2.gz BZVJZFXUSUWMAO-HHHXNRCGSA-N -1 3 507.656 4.680 50 0 KJAAHM COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)N2CCCC2)cc1 ZINC000033023412 553888865 /nfs/dbraw/zinc/88/88/65/553888865.db2.gz BZVJZFXUSUWMAO-MHZLTWQESA-N -1 3 507.656 4.680 50 0 KJAAHM COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)N2CCCCC2)cc1 ZINC000033026000 553890366 /nfs/dbraw/zinc/89/03/66/553890366.db2.gz KQMSJWDYXLDNDA-AREMUKBSSA-N -1 3 511.619 4.592 50 0 KJAAHM COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)N2CCCCC2)cc1 ZINC000033026003 553890375 /nfs/dbraw/zinc/89/03/75/553890375.db2.gz KQMSJWDYXLDNDA-SANMLTNESA-N -1 3 511.619 4.592 50 0 KJAAHM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000033026964 553890623 /nfs/dbraw/zinc/89/06/23/553890623.db2.gz NUSMNCQQVNSPNO-UHFFFAOYSA-N -1 3 514.047 4.544 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](c3ccccc3)N(C)C)ccc2Cl)cc1 ZINC000033028921 553891292 /nfs/dbraw/zinc/89/12/92/553891292.db2.gz FLYDVSTVLJVZBD-HSZRJFAPSA-N -1 3 502.036 4.572 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](c3ccccc3)N(C)C)ccc2Cl)cc1 ZINC000033028923 553891351 /nfs/dbraw/zinc/89/13/51/553891351.db2.gz FLYDVSTVLJVZBD-QHCPKHFHSA-N -1 3 502.036 4.572 50 0 KJAAHM CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028928 553891420 /nfs/dbraw/zinc/89/14/20/553891420.db2.gz SHJKAJIHEPKBSJ-QFIPXVFZSA-N -1 3 505.612 4.835 50 0 KJAAHM CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000033028930 553891253 /nfs/dbraw/zinc/89/12/53/553891253.db2.gz SHJKAJIHEPKBSJ-JOCHJYFZSA-N -1 3 505.612 4.835 50 0 KJAAHM CCCCN(C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000033033226 553892202 /nfs/dbraw/zinc/89/22/02/553892202.db2.gz YSWPRYBUVIMCIX-UHFFFAOYSA-N -1 3 512.720 4.817 50 0 KJAAHM CC(C)CN(CC(C)C)C(=O)c1ccc(N2CCNCC2)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000033033385 553892691 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554061674 /nfs/dbraw/zinc/06/16/74/554061674.db2.gz YFKDPQBDBKWUKB-AWRGLXIESA-N -1 3 506.452 4.978 50 0 KJAAHM CCCOc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(F)c4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000035633366 554061705 /nfs/dbraw/zinc/06/17/05/554061705.db2.gz YFKDPQBDBKWUKB-YZUZCNPQSA-N -1 3 506.452 4.978 50 0 KJAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000035843269 554082029 /nfs/dbraw/zinc/08/20/29/554082029.db2.gz PGKSFOBXHNEJOC-YRIIQKNPSA-N -1 3 503.583 4.999 50 0 KJAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843270 554082128 /nfs/dbraw/zinc/08/21/28/554082128.db2.gz PGKSFOBXHNEJOC-CPBHOCDRSA-N -1 3 503.583 4.999 50 0 KJAAHM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035886828 554088570 /nfs/dbraw/zinc/08/85/70/554088570.db2.gz XYTQNCGAKLWMPJ-OAHLLOKOSA-N -1 3 508.493 4.955 50 0 KJAAHM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000035886830 554088546 /nfs/dbraw/zinc/08/85/46/554088546.db2.gz XYTQNCGAKLWMPJ-HNNXBMFYSA-N -1 3 508.493 4.955 50 0 KJAAHM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887070 554088538 /nfs/dbraw/zinc/08/85/38/554088538.db2.gz KYWUNLNCPQOPSW-HSZRJFAPSA-N -1 3 515.031 4.892 50 0 KJAAHM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CN(CCc2ccccc2OC)C1=O ZINC000035887072 554088508 /nfs/dbraw/zinc/08/85/08/554088508.db2.gz KYWUNLNCPQOPSW-QHCPKHFHSA-N -1 3 515.031 4.892 50 0 KJAAHM COc1ccccc1CCN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)C1=O ZINC000035887082 554088467 /nfs/dbraw/zinc/08/84/67/554088467.db2.gz LJTMIQXGDBKXJH-QGZVFWFLSA-N -1 3 501.004 4.502 50 0 KJAAHM COc1ccccc1CCN1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)C1=O ZINC000035887084 554088582 /nfs/dbraw/zinc/08/85/82/554088582.db2.gz LJTMIQXGDBKXJH-KRWDZBQOSA-N -1 3 501.004 4.502 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(CC3CC3)C(=O)c3ccc(F)cc3)c2)cc1 ZINC000035946138 554102684 /nfs/dbraw/zinc/10/26/84/554102684.db2.gz CXIHDSVUBPVHGW-UHFFFAOYSA-N -1 3 511.619 4.754 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(CC3CC3)C(=O)c3cccc(C)c3)c2)cc1 ZINC000035946142 554102926 /nfs/dbraw/zinc/10/29/26/554102926.db2.gz GYCSDARMAZKXNX-UHFFFAOYSA-N -1 3 507.656 4.923 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(CN(Cc3cccc(F)c3)C(=O)C3CC3)c2)cc1 ZINC000035947486 554104445 /nfs/dbraw/zinc/10/44/45/554104445.db2.gz QZIGFLVYCSSGHL-UHFFFAOYSA-N -1 3 511.619 4.640 50 0 KJAAHM CCCN(Cc1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000036015152 554135419 /nfs/dbraw/zinc/13/54/19/554135419.db2.gz GLFOPYLEERKXTE-UHFFFAOYSA-N -1 3 501.674 4.605 50 0 KJAAHM CC(C)COC[C@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000036205434 554201278 /nfs/dbraw/zinc/20/12/78/554201278.db2.gz AZZMBJQFADAGIK-QGZVFWFLSA-N -1 3 502.036 4.934 50 0 KJAAHM CC(C)COC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000036205437 554201039 /nfs/dbraw/zinc/20/10/39/554201039.db2.gz AZZMBJQFADAGIK-KRWDZBQOSA-N -1 3 502.036 4.934 50 0 KJAAHM COc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206039 554201621 /nfs/dbraw/zinc/20/16/21/554201621.db2.gz VUSDUGSFMKUWKG-FQEVSTJZSA-N -1 3 517.692 4.550 50 0 KJAAHM COc1ccc(-c2csc3[n-]c(CN(CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000036206042 554201746 /nfs/dbraw/zinc/20/17/46/554201746.db2.gz VUSDUGSFMKUWKG-HXUWFJFHSA-N -1 3 517.692 4.550 50 0 KJAAHM COc1ccccc1-c1csc2[n-]c(CN(Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206544 554202310 /nfs/dbraw/zinc/20/23/10/554202310.db2.gz YBBWTQHHJIIWSF-OAQYLSRUSA-N -1 3 507.656 4.696 50 0 KJAAHM COc1ccccc1-c1csc2[n-]c(CN(Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206545 554202170 /nfs/dbraw/zinc/20/21/70/554202170.db2.gz YBBWTQHHJIIWSF-NRFANRHFSA-N -1 3 507.656 4.696 50 0 KJAAHM COCCCN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[n-]1)C[C@H](O)COc1ccccc1 ZINC000036207112 554202046 /nfs/dbraw/zinc/20/20/46/554202046.db2.gz LKRCVXQEIKMMMZ-NRFANRHFSA-N -1 3 507.656 4.547 50 0 KJAAHM COCCCN(Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[n-]1)C[C@@H](O)COc1ccccc1 ZINC000036207113 554201996 /nfs/dbraw/zinc/20/19/96/554201996.db2.gz LKRCVXQEIKMMMZ-OAQYLSRUSA-N -1 3 507.656 4.547 50 0 KJAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207132 554202214 /nfs/dbraw/zinc/20/22/14/554202214.db2.gz CKDXGRJJEPATMQ-SFHVURJKSA-N -1 3 514.047 4.964 50 0 KJAAHM COc1ccccc1-c1csc2[n-]c(CN(C[C@@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207133 554201948 /nfs/dbraw/zinc/20/19/48/554201948.db2.gz CKDXGRJJEPATMQ-GOSISDBHSA-N -1 3 514.047 4.964 50 0 KJAAHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140313 554263101 /nfs/dbraw/zinc/26/31/01/554263101.db2.gz HJAQYOBTYLQGMM-QFIPXVFZSA-N -1 3 532.460 4.800 50 0 KJAAHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000038140314 554263129 /nfs/dbraw/zinc/26/31/29/554263129.db2.gz HJAQYOBTYLQGMM-JOCHJYFZSA-N -1 3 532.460 4.800 50 0 KJAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000038151102 554271743 /nfs/dbraw/zinc/27/17/43/554271743.db2.gz IBSYIUYMCJKTNI-UHFFFAOYSA-N -1 3 528.472 4.644 50 0 KJAAHM O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CCN(C2CCCCC2)CC1 ZINC000038154848 554273613 /nfs/dbraw/zinc/27/36/13/554273613.db2.gz KULUJIKJDQNVTK-UHFFFAOYSA-N -1 3 541.515 4.587 50 0 KJAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C)cc3Br)cc21 ZINC000040450299 554285092 /nfs/dbraw/zinc/28/50/92/554285092.db2.gz IRIPUDFDXXCJQP-UHFFFAOYSA-N -1 3 502.228 4.620 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(Br)c1 ZINC000040450453 554285524 /nfs/dbraw/zinc/28/55/24/554285524.db2.gz DREHQMGFQVGJEC-UHFFFAOYSA-N -1 3 514.239 4.620 50 0 KJAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]C(c3ccccc3)c3ccccc3)cc21 ZINC000040450506 554285513 /nfs/dbraw/zinc/28/55/13/554285513.db2.gz USZMMNPQSMCZAM-UHFFFAOYSA-N -1 3 511.441 4.816 50 0 KJAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c(Br)cc2C[C@@H]1C ZINC000040450657 554285660 /nfs/dbraw/zinc/28/56/60/554285660.db2.gz KSJYGQQBKNJPES-NSHDSACASA-N -1 3 502.228 4.618 50 0 KJAAHM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c(Br)cc2C[C@H]1C ZINC000040450658 554285721 /nfs/dbraw/zinc/28/57/21/554285721.db2.gz KSJYGQQBKNJPES-LLVKDONJSA-N -1 3 502.228 4.618 50 0 KJAAHM CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)[N-]C1=NN=C(c2ccc(Br)cc2)CS1 ZINC000049771364 554325717 /nfs/dbraw/zinc/32/57/17/554325717.db2.gz PQWQYZWRUFZNAV-IBGZPJMESA-N -1 3 530.473 4.953 50 0 KJAAHM CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)[N-]C1=NN=C(c2ccc(Br)cc2)CS1 ZINC000049771365 554325594 /nfs/dbraw/zinc/32/55/94/554325594.db2.gz PQWQYZWRUFZNAV-LJQANCHMSA-N -1 3 530.473 4.953 50 0 KJAAHM O=c1[n-]c(=O)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc(Cl)c1)N2 ZINC000053334826 554340231 /nfs/dbraw/zinc/34/02/31/554340231.db2.gz XGKSDNOXWOJMDT-UHFFFAOYSA-N -1 3 516.829 4.625 50 0 KJAAHM O=S(=O)([N-]CCCOc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1)c1ccccc1F ZINC000055118849 554350281 /nfs/dbraw/zinc/35/02/81/554350281.db2.gz BBWMAKGPUKHRTG-UHFFFAOYSA-N -1 3 518.054 4.549 50 0 KJAAHM COc1ccc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000059515227 554403036 /nfs/dbraw/zinc/40/30/36/554403036.db2.gz IJVJSIALSDRYFS-MRXNPFEDSA-N -1 3 529.865 4.701 50 0 KJAAHM COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000059515228 554403094 /nfs/dbraw/zinc/40/30/94/554403094.db2.gz IJVJSIALSDRYFS-INIZCTEOSA-N -1 3 529.865 4.701 50 0 KJAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000059523225 554404541 /nfs/dbraw/zinc/40/45/41/554404541.db2.gz URCPKWWDDFCQLJ-FKBYEOEOSA-N -1 3 524.802 4.671 50 0 KJAAHM Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523244 554404506 /nfs/dbraw/zinc/40/45/06/554404506.db2.gz RDVMCLNHUQCQHG-MRXNPFEDSA-N -1 3 536.498 4.957 50 0 KJAAHM Cc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523247 554404699 /nfs/dbraw/zinc/40/46/99/554404699.db2.gz RDVMCLNHUQCQHG-INIZCTEOSA-N -1 3 536.498 4.957 50 0 KJAAHM COc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523823 554405172 /nfs/dbraw/zinc/40/51/72/554405172.db2.gz PIGBYDCMAOVYRU-MRXNPFEDSA-N -1 3 552.497 4.657 50 0 KJAAHM COc1ccc2nc(NC(=O)[C@H](Cc3ccccc3)[N-]S(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000059523828 554405222 /nfs/dbraw/zinc/40/52/22/554405222.db2.gz PIGBYDCMAOVYRU-INIZCTEOSA-N -1 3 552.497 4.657 50 0 KJAAHM O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000059523844 554405379 /nfs/dbraw/zinc/40/53/79/554405379.db2.gz YJKIHDZKCKBQQN-INIZCTEOSA-N -1 3 544.290 4.801 50 0 KJAAHM O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000059523846 554405320 /nfs/dbraw/zinc/40/53/20/554405320.db2.gz YJKIHDZKCKBQQN-MRXNPFEDSA-N -1 3 544.290 4.801 50 0 KJAAHM CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cc(Br)c([O-])c(OC)c2)s1 ZINC000059602954 554409296 /nfs/dbraw/zinc/40/92/96/554409296.db2.gz JXORPHSEXIAFFJ-GOSISDBHSA-N -1 3 528.384 4.742 50 0 KJAAHM CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cc(Br)c([O-])c(OC)c2)s1 ZINC000059602956 554409404 /nfs/dbraw/zinc/40/94/04/554409404.db2.gz JXORPHSEXIAFFJ-SFHVURJKSA-N -1 3 528.384 4.742 50 0 KJAAHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000059617200 554413323 /nfs/dbraw/zinc/41/33/23/554413323.db2.gz URVVDFVFDMJBKC-UHFFFAOYSA-N -1 3 525.384 4.862 50 0 KJAAHM CCc1nnc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2-c2ccccc2)s1 ZINC000059620600 554413961 /nfs/dbraw/zinc/41/39/61/554413961.db2.gz MCMUSIMGVPOIQO-UHFFFAOYSA-N -1 3 517.434 4.547 50 0 KJAAHM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000059626814 554415147 /nfs/dbraw/zinc/41/51/47/554415147.db2.gz LZMDEAVEJDDVNE-HNNXBMFYSA-N -1 3 542.466 4.587 50 0 KJAAHM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000059626818 554415247 /nfs/dbraw/zinc/41/52/47/554415247.db2.gz LZMDEAVEJDDVNE-OAHLLOKOSA-N -1 3 542.466 4.587 50 0 KJAAHM CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059646759 554417361 /nfs/dbraw/zinc/41/73/61/554417361.db2.gz CJBUUJAMGZDKLO-UHFFFAOYSA-N -1 3 539.610 4.704 50 0 KJAAHM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652572 554420133 /nfs/dbraw/zinc/42/01/33/554420133.db2.gz OGAYFDWERJXWNK-UHFFFAOYSA-N -1 3 583.663 4.778 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccc(OC)cc4)cc3)cc2)cc1 ZINC000059652812 554420364 /nfs/dbraw/zinc/42/03/64/554420364.db2.gz LOWNEJWJOHOFHX-UHFFFAOYSA-N -1 3 581.672 4.582 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1 ZINC000059654392 554420460 /nfs/dbraw/zinc/42/04/60/554420460.db2.gz UJHYIBOZHDJJBI-UHFFFAOYSA-N -1 3 550.102 4.943 50 0 KJAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000059836995 554441656 /nfs/dbraw/zinc/44/16/56/554441656.db2.gz JNRTVAPVYMWGHU-UHFFFAOYSA-N -1 3 515.307 4.685 50 0 KJAAHM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(I)ccc2[O-])c(=O)n(-c2ccccc2)n1C ZINC000059845090 554448529 /nfs/dbraw/zinc/44/85/29/554448529.db2.gz JFURMVKBGKCTRL-UHFFFAOYSA-N -1 3 606.464 4.773 50 0 KJAAHM CCCN1c2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2Sc2ccccc2C1=O ZINC000064980184 554523567 /nfs/dbraw/zinc/52/35/67/554523567.db2.gz DHJKWTZTLIEODA-UHFFFAOYSA-N -1 3 506.609 4.737 50 0 KJAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000066123895 554528508 /nfs/dbraw/zinc/52/85/08/554528508.db2.gz CIXYZNFDMNWESE-UHFFFAOYSA-N -1 3 528.472 4.644 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681053 553604848 /nfs/dbraw/zinc/60/48/48/553604848.db2.gz FEKAAKIJUOHKPI-KWYVSSJISA-N -1 3 508.574 4.574 50 0 biogenic KJAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070681162 553604983 /nfs/dbraw/zinc/60/49/83/553604983.db2.gz WULSXBKHHUWZIW-SVYISMGTSA-N -1 3 522.601 4.965 50 0 biogenic KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000072314489 553647123 /nfs/dbraw/zinc/64/71/23/553647123.db2.gz SEVNIFWJWRGIHC-DEOSSOPVSA-N -1 3 518.060 4.950 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000072314490 553647116 /nfs/dbraw/zinc/64/71/16/553647116.db2.gz SEVNIFWJWRGIHC-XMMPIXPASA-N -1 3 518.060 4.950 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cccs2)C1 ZINC000072314508 553647167 /nfs/dbraw/zinc/64/71/67/553647167.db2.gz AJUHNWLVNLWQEC-FQEVSTJZSA-N -1 3 510.062 4.703 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cccs2)C1 ZINC000072314509 553647258 /nfs/dbraw/zinc/64/72/58/553647258.db2.gz AJUHNWLVNLWQEC-HXUWFJFHSA-N -1 3 510.062 4.703 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2C)C1 ZINC000072314522 553647160 /nfs/dbraw/zinc/64/71/60/553647160.db2.gz OIJOLCDYPJMTKN-DEOSSOPVSA-N -1 3 518.060 4.950 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2C)C1 ZINC000072314523 553647086 /nfs/dbraw/zinc/64/70/86/553647086.db2.gz OIJOLCDYPJMTKN-XMMPIXPASA-N -1 3 518.060 4.950 50 0 KJAAHM C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(=O)c-3c2[O-])cc1 ZINC000072324089 553647950 /nfs/dbraw/zinc/64/79/50/553647950.db2.gz GMRPECMMQVCOST-QRRWFCJLSA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc([O-])c3c2=O)cc1 ZINC000072324089 553647948 /nfs/dbraw/zinc/64/79/48/553647948.db2.gz GMRPECMMQVCOST-QRRWFCJLSA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(=O)c-3c2[O-])cc1 ZINC000072324090 553647897 /nfs/dbraw/zinc/64/78/97/553647897.db2.gz GMRPECMMQVCOST-YJNPBZNESA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc([O-])c3c2=O)cc1 ZINC000072324090 553647896 /nfs/dbraw/zinc/64/78/96/553647896.db2.gz GMRPECMMQVCOST-YJNPBZNESA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc(=O)c-3c2[O-])cc1 ZINC000072324091 553647879 /nfs/dbraw/zinc/64/78/79/553647879.db2.gz GMRPECMMQVCOST-NDOVKIIASA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc([O-])c3c2=O)cc1 ZINC000072324091 553647878 /nfs/dbraw/zinc/64/78/78/553647878.db2.gz GMRPECMMQVCOST-NDOVKIIASA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc(=O)c-3c2[O-])cc1 ZINC000072324092 553647915 /nfs/dbraw/zinc/64/79/15/553647915.db2.gz GMRPECMMQVCOST-FOPBOCKXSA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM C[C@](N)(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc([O-])c3c2=O)cc1 ZINC000072324092 553647910 /nfs/dbraw/zinc/64/79/10/553647910.db2.gz GMRPECMMQVCOST-FOPBOCKXSA-N -1 3 578.621 4.507 50 0 biogenic KJAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000095346134 553701135 /nfs/dbraw/zinc/70/11/35/553701135.db2.gz OXSDCKPRHHQRMH-VJGNERBWSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1 ZINC000096124734 553726780 /nfs/dbraw/zinc/72/67/80/553726780.db2.gz KJFPRRCYUQRHAZ-UHFFFAOYSA-N -1 3 505.531 4.597 50 0 KJAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000096297847 553748532 /nfs/dbraw/zinc/74/85/32/553748532.db2.gz BKVGQQYQSQAJSB-OARDWFSCSA-N -1 3 510.546 4.917 50 0 KJAAHM COCc1nc(CN(Cc2ccco2)C(=O)NC(C)(C)C)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096317883 553751026 /nfs/dbraw/zinc/75/10/26/553751026.db2.gz YCDTXLDQQASQEF-UHFFFAOYSA-N -1 3 506.525 4.629 50 0 KJAAHM COC(=O)C[C@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335879 553752303 /nfs/dbraw/zinc/75/23/03/553752303.db2.gz VWNQQZUZYWTWBQ-QGZVFWFLSA-N -1 3 504.944 4.723 50 0 KJAAHM COC(=O)C[C@@H](c1cc2c(c(OC)c1)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000096335880 553752361 /nfs/dbraw/zinc/75/23/61/553752361.db2.gz VWNQQZUZYWTWBQ-KRWDZBQOSA-N -1 3 504.944 4.723 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1n[nH]c(-c3cc(Br)ccc3[O-])n1)CCCC2 ZINC000097950082 553803442 /nfs/dbraw/zinc/80/34/42/553803442.db2.gz SZXQDSXXSASVMA-UHFFFAOYSA-N -1 3 537.461 4.788 50 0 KJAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3cc(Br)ccc3[O-])n[nH]1)CCCC2 ZINC000097950082 553803439 /nfs/dbraw/zinc/80/34/39/553803439.db2.gz SZXQDSXXSASVMA-UHFFFAOYSA-N -1 3 537.461 4.788 50 0 KJAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000097953973 553820459 /nfs/dbraw/zinc/82/04/59/553820459.db2.gz AOSMQUGFTDUVIK-XJUOHMSHSA-N -1 3 543.359 4.760 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000097954126 553821639 /nfs/dbraw/zinc/82/16/39/553821639.db2.gz PZHYBGUBOYUARH-ZONZVBGPSA-N -1 3 544.560 4.645 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000097954127 553821666 /nfs/dbraw/zinc/82/16/66/553821666.db2.gz PZHYBGUBOYUARH-KWXIBIRDSA-N -1 3 544.560 4.645 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000097954228 553822329 /nfs/dbraw/zinc/82/23/29/553822329.db2.gz HIWDNABESQCEPP-KWXIBIRDSA-N -1 3 544.560 4.645 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000097954257 553822631 /nfs/dbraw/zinc/82/26/31/553822631.db2.gz GZQFZDNPGFECFD-KWXIBIRDSA-N -1 3 526.570 4.505 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000097954380 553822872 /nfs/dbraw/zinc/82/28/72/553822872.db2.gz MNBFKRRRPRIYNW-KWXIBIRDSA-N -1 3 526.570 4.505 50 0 KJAAHM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000097954575 553824178 /nfs/dbraw/zinc/82/41/78/553824178.db2.gz CTCQFSBMMNVBBQ-BDTNDASRSA-N -1 3 529.774 4.868 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962530 553884072 /nfs/dbraw/zinc/88/40/72/553884072.db2.gz QJHKAATZGJDDCG-JAYSWQADSA-N -1 3 622.484 4.646 50 0 KJAAHM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962531 553884099 /nfs/dbraw/zinc/88/40/99/553884099.db2.gz QJHKAATZGJDDCG-KEQCBNTKSA-N -1 3 622.484 4.646 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097962532 553884114 /nfs/dbraw/zinc/88/41/14/553884114.db2.gz LXFJBMSVNYCNNA-KMBIYUNPSA-N -1 3 545.458 4.795 50 0 KJAAHM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)ccc5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097962533 553884089 /nfs/dbraw/zinc/88/40/89/553884089.db2.gz LXFJBMSVNYCNNA-GVMLUORFSA-N -1 3 545.458 4.795 50 0 KJAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000097968876 553934938 /nfs/dbraw/zinc/93/49/38/553934938.db2.gz UKPWJZPJONEFGZ-QPJBPQEWSA-N -1 3 664.521 4.814 50 0 KJAAHM CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000097968877 553934912 /nfs/dbraw/zinc/93/49/12/553934912.db2.gz UKPWJZPJONEFGZ-QTTRZTASSA-N -1 3 664.521 4.814 50 0 KJAAHM CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1 ZINC000097971451 553962572 /nfs/dbraw/zinc/96/25/72/553962572.db2.gz FGEXAUHMQBIOFZ-UHFFFAOYSA-N -1 3 560.072 4.900 50 0 KJAAHM COc1ccccc1NC(=O)c1c[n-]nc1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000097977171 553974314 /nfs/dbraw/zinc/97/43/14/553974314.db2.gz MTBXYJQXZPOLSG-UHFFFAOYSA-N -1 3 519.355 4.916 50 0 KJAAHM COc1ccccc1NC(=O)c1cn[n-]c1C(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000097977171 553974309 /nfs/dbraw/zinc/97/43/09/553974309.db2.gz MTBXYJQXZPOLSG-UHFFFAOYSA-N -1 3 519.355 4.916 50 0 KJAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000097979487 553979797 /nfs/dbraw/zinc/97/97/97/553979797.db2.gz STYFXMFXQAPEIP-GZTJUZNOSA-N -1 3 533.607 4.505 50 0 KJAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)c1 ZINC000097981264 553992735 /nfs/dbraw/zinc/99/27/35/553992735.db2.gz UCRXTMXUNKXULF-UHFFFAOYSA-N -1 3 556.493 4.740 50 0 KJAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1cc(NC(=S)Nc2cccnc2)ccc1N1CCOCC1 ZINC000097981325 553993308 /nfs/dbraw/zinc/99/33/08/553993308.db2.gz ANENVIQWVUDFRH-UHFFFAOYSA-N -1 3 538.482 4.835 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)c(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000097982339 554001262 /nfs/dbraw/zinc/00/12/62/554001262.db2.gz MIUFUMXRUYVJER-UHFFFAOYSA-N -1 3 582.748 4.757 50 0 KJAAHM O=C(NC(=S)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1)C1CCCC1 ZINC000097982355 554001569 /nfs/dbraw/zinc/00/15/69/554001569.db2.gz SOQXRQFJTDPPNM-UHFFFAOYSA-N -1 3 557.525 4.634 50 0 KJAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=S)NC(=O)c3ccccc3F)c2)cc1Br ZINC000097982369 554001552 /nfs/dbraw/zinc/00/15/52/554001552.db2.gz MLOIHSDPLUYLOF-UHFFFAOYSA-N -1 3 582.473 4.923 50 0 KJAAHM COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc(S(=O)(=O)[N-]c3cc(C)ccc3Br)c2)c1 ZINC000097982370 554001532 /nfs/dbraw/zinc/00/15/32/554001532.db2.gz KDBOVGSZSWXRQR-UHFFFAOYSA-N -1 3 564.483 4.702 50 0 KJAAHM Cc1nc(NC(=O)COC(=O)c2ccc([N-]S(=O)(=O)/C=C/c3ccccc3)cc2)c(Cl)cc1Cl ZINC000097982508 554003136 /nfs/dbraw/zinc/00/31/36/554003136.db2.gz VFMHHIXEVXTRNB-VAWYXSNFSA-N -1 3 520.394 4.905 50 0 KJAAHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000097982913 554006030 /nfs/dbraw/zinc/00/60/30/554006030.db2.gz HYEIBYJOODCKET-UHFFFAOYSA-N -1 3 528.472 4.644 50 0 KJAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000097984094 554013936 /nfs/dbraw/zinc/01/39/36/554013936.db2.gz VVQRGKBFIRLJPO-DCLXLUIPSA-N -1 3 518.875 4.663 50 0 KJAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000097984095 554013831 /nfs/dbraw/zinc/01/38/31/554013831.db2.gz VVQRGKBFIRLJPO-YOSAUDMPSA-N -1 3 518.875 4.663 50 0 KJAAHM COc1ccc(Cl)cc1C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000097990888 554029787 /nfs/dbraw/zinc/02/97/87/554029787.db2.gz XCEDGMNEDGJWCE-UHFFFAOYSA-N -1 3 536.012 4.979 50 0 KJAAHM O=C(COc1ccc(Cl)cc1)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000097990895 554029754 /nfs/dbraw/zinc/02/97/54/554029754.db2.gz MIZCZUONEUMBKB-UHFFFAOYSA-N -1 3 536.012 4.735 50 0 KJAAHM O=C(CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)s1)c1ccccc1 ZINC000097993272 554030780 /nfs/dbraw/zinc/03/07/80/554030780.db2.gz PRUAZDFPONHMJJ-UHFFFAOYSA-N -1 3 537.088 4.593 50 0 KJAAHM O=C(CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1)c1ccccc1 ZINC000097993317 554031227 /nfs/dbraw/zinc/03/12/27/554031227.db2.gz NFDRFGNTYCBFTJ-UHFFFAOYSA-N -1 3 551.115 4.984 50 0 KJAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)C(=O)N(c1cccc(N3C(=O)c4ccc(C(=O)Nc5ccccc5O)cc4C3=O)n1)C2=O ZINC000097994444 554031851 /nfs/dbraw/zinc/03/18/51/554031851.db2.gz ZCCQVUKKOCBSEW-UHFFFAOYSA-N -1 3 639.580 4.599 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3)cc2)cc1 ZINC000097998424 554041405 /nfs/dbraw/zinc/04/14/05/554041405.db2.gz HHNZITRKLWKGOQ-UHFFFAOYSA-N -1 3 538.647 4.896 50 0 KJAAHM CCOc1ccc(CCn2c(=O)[n-]c(=O)c3c2NC(c2ccc(OC)cc2)=NC3(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000098003703 554056033 /nfs/dbraw/zinc/05/60/33/554056033.db2.gz XVEXUYAQBIZXBS-UHFFFAOYSA-N -1 3 600.516 4.778 50 0 biogenic KJAAHM COc1ccc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1C[C@H](c2ccccc2)CC1=O ZINC000098005941 554059874 /nfs/dbraw/zinc/05/98/74/554059874.db2.gz BMSUFXUMVJWQBB-LJQANCHMSA-N -1 3 599.090 4.736 50 0 KJAAHM COc1ccc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)cc1S(=O)(=O)N1C[C@@H](c2ccccc2)CC1=O ZINC000098005942 554059932 /nfs/dbraw/zinc/05/99/32/554059932.db2.gz BMSUFXUMVJWQBB-IBGZPJMESA-N -1 3 599.090 4.736 50 0 KJAAHM COc1ccc2nc(NC(=O)C3CCC(C[N-]S(=O)(=O)c4ccc(Br)s4)CC3)sc2c1 ZINC000098009613 554069737 /nfs/dbraw/zinc/06/97/37/554069737.db2.gz PRPNFMWHQDROBY-UHFFFAOYSA-N -1 3 544.518 4.852 50 0 KJAAHM COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC000098043137 554124895 /nfs/dbraw/zinc/12/48/95/554124895.db2.gz GJJLKXPELYZAIJ-UHFFFAOYSA-N -1 3 529.924 4.723 50 0 KJAAHM COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3cc(Br)ccc3[O-])n2)cc1OC ZINC000098043161 554125186 /nfs/dbraw/zinc/12/51/86/554125186.db2.gz HWKLWSRBAXJFHU-UHFFFAOYSA-N -1 3 604.401 4.840 50 0 KJAAHM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000098044814 554129777 /nfs/dbraw/zinc/12/97/77/554129777.db2.gz ANRYTODBXMXSCM-UHFFFAOYSA-N -1 3 609.726 4.955 50 0 KJAAHM Cc1ccc(=O)n(C(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)=C([O-])c2ccc(F)cc2)c1 ZINC000098045198 554131314 /nfs/dbraw/zinc/13/13/14/554131314.db2.gz VFSRRWUJPOEPJM-PMERELPUSA-N -1 3 538.619 4.895 50 0 KJAAHM Cc1ccc(=O)n(C(C(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)=C([O-])c2ccc(F)cc2)c1 ZINC000098045199 554131325 /nfs/dbraw/zinc/13/13/25/554131325.db2.gz VFSRRWUJPOEPJM-SSEXGKCCSA-N -1 3 538.619 4.895 50 0 KJAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000098046283 554137351 /nfs/dbraw/zinc/13/73/51/554137351.db2.gz CEPIDQUASGFXBR-UHFFFAOYSA-N -1 3 540.450 4.695 50 0 KJAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3)cc2)c(C)c1 ZINC000098046284 554137327 /nfs/dbraw/zinc/13/73/27/554137327.db2.gz REUIETUJKHHQMK-UHFFFAOYSA-N -1 3 548.484 4.759 50 0 KJAAHM CC[C@H]1CCCCN1C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Br)cc3)cc2c1[O-] ZINC000098049769 554168744 /nfs/dbraw/zinc/16/87/44/554168744.db2.gz FKBYGNLKXWIHTL-KRWDZBQOSA-N -1 3 532.460 4.520 50 0 KJAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1cc2cc(Br)ccc2oc1=O ZINC000098050205 554172947 /nfs/dbraw/zinc/17/29/47/554172947.db2.gz JDVWBFYIECNNLQ-UHFFFAOYSA-N -1 3 522.742 4.970 50 0 KJAAHM Cc1c(Cl)cccc1NC(=N)Nc1nc(CSC(=S)N2CCN(Cc3ccccc3)CC2)cc(=O)[n-]1 ZINC000100123397 554224749 /nfs/dbraw/zinc/22/47/49/554224749.db2.gz OLRFVHXARQQNGM-UHFFFAOYSA-N -1 3 542.134 4.526 50 0 KJAAHM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000100229507 554255058 /nfs/dbraw/zinc/25/50/58/554255058.db2.gz MRZTXJOMCRALOO-APSNUPSMSA-N -1 3 516.881 4.757 50 0 KJAAHM COC(=O)C[C@H](c1cc(OC)c2c(c1OC)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000100255948 554264353 /nfs/dbraw/zinc/26/43/53/554264353.db2.gz FVMNAZJFYMEJIR-QGZVFWFLSA-N -1 3 534.970 4.732 50 0 KJAAHM COC(=O)C[C@@H](c1cc(OC)c2c(c1OC)OCO2)c1oc(CSc2ccc(Cl)cc2)cc(=O)c1[O-] ZINC000100255953 554264402 /nfs/dbraw/zinc/26/44/02/554264402.db2.gz FVMNAZJFYMEJIR-KRWDZBQOSA-N -1 3 534.970 4.732 50 0 KJAAHM COc1ccc(Cl)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 ZINC000100472223 554399455 /nfs/dbraw/zinc/39/94/55/554399455.db2.gz QINPEPAQOBZPOF-UHFFFAOYSA-N -1 3 541.033 4.512 50 0 investigational KJAAHM Cc1c(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)sc2[n-]c(Cc3ccccc3)nc(=O)c12 ZINC000100788244 554472729 /nfs/dbraw/zinc/47/27/29/554472729.db2.gz YAHHNDQVYSWYFG-UHFFFAOYSA-N -1 3 547.990 4.913 50 0 KJAAHM CC1(C)O[C@@H]2[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[n-]c4=O)[C@H]2O1 ZINC000100821288 554480382 /nfs/dbraw/zinc/48/03/82/554480382.db2.gz KCWRKFVKIDINBP-JVYBIVSJSA-N -1 3 550.615 4.546 50 0 KJAAHM CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](n3cnc4c3nc[n-]c4=O)[C@H]2O1 ZINC000100821290 554480369 /nfs/dbraw/zinc/48/03/69/554480369.db2.gz KCWRKFVKIDINBP-IXMKEJRMSA-N -1 3 550.615 4.546 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000100821345 554480811 /nfs/dbraw/zinc/48/08/11/554480811.db2.gz UMHNEJZSXPBFRX-SANMLTNESA-N -1 3 550.644 4.896 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000100821346 554480671 /nfs/dbraw/zinc/48/06/71/554480671.db2.gz UMHNEJZSXPBFRX-AREMUKBSSA-N -1 3 550.644 4.896 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000100821347 554480754 /nfs/dbraw/zinc/48/07/54/554480754.db2.gz ILGHLVZREIGHAZ-VWLOTQADSA-N -1 3 554.607 4.727 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000100821349 554480691 /nfs/dbraw/zinc/48/06/91/554480691.db2.gz ILGHLVZREIGHAZ-RUZDIDTESA-N -1 3 554.607 4.727 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100821368 554480745 /nfs/dbraw/zinc/48/07/45/554480745.db2.gz WMJHMPIUADSTQD-VWLOTQADSA-N -1 3 614.659 4.744 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@@H](c3cccc(OC)c3OC)C2)cc1 ZINC000100821369 554480680 /nfs/dbraw/zinc/48/06/80/554480680.db2.gz WMJHMPIUADSTQD-RUZDIDTESA-N -1 3 614.659 4.744 50 0 KJAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000100862417 554496077 /nfs/dbraw/zinc/49/60/77/554496077.db2.gz BKUHJRPGJCPZEQ-CTNGQTDRSA-N -1 3 525.200 4.994 50 0 KJAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100884633 554508416 /nfs/dbraw/zinc/50/84/16/554508416.db2.gz DPSCPAUNQJIQFK-ZLNRFVROSA-N -1 3 509.356 4.517 50 0 KJAAHM CC[C@H](C(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000100890274 554511564 /nfs/dbraw/zinc/51/15/64/554511564.db2.gz ZAMCZEYIOOYTKM-NDEPHWFRSA-N -1 3 574.747 4.874 50 0 KJAAHM CC[C@@H](C(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000100890276 554511638 /nfs/dbraw/zinc/51/16/38/554511638.db2.gz ZAMCZEYIOOYTKM-MUUNZHRXSA-N -1 3 574.747 4.874 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Br)cc1)[C@H]2c1cccnc1 ZINC000100891606 554512301 /nfs/dbraw/zinc/51/23/01/554512301.db2.gz QWVYWZXTRYISRT-AABGKKOBSA-N -1 3 518.289 4.914 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Br)cc1)[C@@H]2c1cccnc1 ZINC000100891608 554512334 /nfs/dbraw/zinc/51/23/34/554512334.db2.gz QWVYWZXTRYISRT-ZCNNSNEGSA-N -1 3 518.289 4.914 50 0 KJAAHM Cc1cc(N2CCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957725 554540672 /nfs/dbraw/zinc/54/06/72/554540672.db2.gz HAVYJQLKWHAPOS-UHFFFAOYSA-N -1 3 535.411 4.534 50 0 KJAAHM Cc1cc(N2CCCCC2)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957753 554540627 /nfs/dbraw/zinc/54/06/27/554540627.db2.gz SOTRRPBCOHGXQD-UHFFFAOYSA-N -1 3 549.438 4.924 50 0 KJAAHM CCN(CC)c1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957834 554540913 /nfs/dbraw/zinc/54/09/13/554540913.db2.gz ROLHHOHQAOIQRW-UHFFFAOYSA-N -1 3 537.427 4.780 50 0 KJAAHM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101054572 554569232 /nfs/dbraw/zinc/56/92/32/554569232.db2.gz YSHCDVHRSBXTKW-ZLNRFVROSA-N -1 3 509.356 4.517 50 0 KJAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000101070625 554575031 /nfs/dbraw/zinc/57/50/31/554575031.db2.gz BKUHJRPGJCPZEQ-TZIWHRDSSA-N -1 3 525.200 4.994 50 0 KJAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000101070628 554575012 /nfs/dbraw/zinc/57/50/12/554575012.db2.gz BKUHJRPGJCPZEQ-PZJWPPBQSA-N -1 3 525.200 4.994 50 0 KJAAHM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Br)cc1 ZINC000101070629 554575038 /nfs/dbraw/zinc/57/50/38/554575038.db2.gz BKUHJRPGJCPZEQ-FPOVZHCZSA-N -1 3 525.200 4.994 50 0 KJAAHM O=C(Nc1ccc(Br)cc1)C1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000101078422 554578331 /nfs/dbraw/zinc/57/83/31/554578331.db2.gz WZMUUPWJOLOBRV-UHFFFAOYSA-N -1 3 536.311 4.997 50 0 KJAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)C3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000101081199 554578938 /nfs/dbraw/zinc/57/89/38/554578938.db2.gz AOSMQUGFTDUVIK-XPNTWCBSSA-N -1 3 543.359 4.760 50 0 KJAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101097108 554584880 /nfs/dbraw/zinc/58/48/80/554584880.db2.gz GLCNHWBHNNLGNE-FCEKVYKBSA-N -1 3 520.541 4.966 50 0 KJAAHM Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000101098795 554585382 /nfs/dbraw/zinc/58/53/82/554585382.db2.gz NCDNPTLQPBCGTL-FSSWDIPSSA-N -1 3 524.802 4.671 50 0 KJAAHM Cc1ccccc1[C@@H]1NN(C(=O)c2cccc(Br)c2)C2=C([O-])N(c3ccccc3Cl)C(=O)[C@H]21 ZINC000101098801 554585548 /nfs/dbraw/zinc/58/55/48/554585548.db2.gz NCDNPTLQPBCGTL-FKBYEOEOSA-N -1 3 524.802 4.671 50 0 KJAAHM O=C(c1cccc(Br)c1)N1N[C@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000101098803 554585750 /nfs/dbraw/zinc/58/57/50/554585750.db2.gz AXAXRNDBDQAWDN-NJYVYQBISA-N -1 3 528.765 4.502 50 0 KJAAHM O=C(c1cccc(Br)c1)N1N[C@@H](c2ccccc2F)[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C21 ZINC000101098804 554585728 /nfs/dbraw/zinc/58/57/28/554585728.db2.gz AXAXRNDBDQAWDN-HKBOAZHASA-N -1 3 528.765 4.502 50 0 KJAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101112751 554642121 /nfs/dbraw/zinc/64/21/21/554642121.db2.gz XITPCMNFQGWLBM-PFBJBMPXSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1cc(OC)c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101114984 554642811 /nfs/dbraw/zinc/64/28/11/554642811.db2.gz BVYWYZXWCUQGJJ-IARZGTGTSA-N -1 3 510.546 4.917 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101120555 554643647 /nfs/dbraw/zinc/64/36/47/554643647.db2.gz WDKOIKGDAKLJBU-KWYVSSJISA-N -1 3 508.574 4.656 50 0 KJAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101140560 554653208 /nfs/dbraw/zinc/65/32/08/554653208.db2.gz BZYYLYYTEBWSRW-PFBJBMPXSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101142540 554654334 /nfs/dbraw/zinc/65/43/34/554654334.db2.gz CTCQFSBMMNVBBQ-VSKRKVRLSA-N -1 3 529.774 4.868 50 0 KJAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101181309 554667013 /nfs/dbraw/zinc/66/70/13/554667013.db2.gz DZNKLUCVFPQYRL-ZLNRFVROSA-N -1 3 509.356 4.517 50 0 KJAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OCC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101184947 554668968 /nfs/dbraw/zinc/66/89/68/554668968.db2.gz LRBKOSZXIYIYBS-VJGNERBWSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101189227 554670198 /nfs/dbraw/zinc/67/01/98/554670198.db2.gz QOGNHDGKUZYEBQ-UUROJUAVSA-N -1 3 528.992 4.919 50 0 KJAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000101189288 554670298 /nfs/dbraw/zinc/67/02/98/554670298.db2.gz ORNQRVQPUKWWID-GTNKKZTPSA-N -1 3 510.546 4.917 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101229225 554689187 /nfs/dbraw/zinc/68/91/87/554689187.db2.gz LCVACUAOMKFNLH-VWLOTQADSA-N -1 3 572.597 4.866 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101229227 554689171 /nfs/dbraw/zinc/68/91/71/554689171.db2.gz LCVACUAOMKFNLH-RUZDIDTESA-N -1 3 572.597 4.866 50 0 KJAAHM COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000101229232 554689155 /nfs/dbraw/zinc/68/91/55/554689155.db2.gz WKAPDNDAPJBVJE-QFIPXVFZSA-N -1 3 560.636 4.788 50 0 KJAAHM COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000101229236 554689161 /nfs/dbraw/zinc/68/91/61/554689161.db2.gz WKAPDNDAPJBVJE-JOCHJYFZSA-N -1 3 560.636 4.788 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101229243 554689142 /nfs/dbraw/zinc/68/91/42/554689142.db2.gz UTVVNQNWNXUFGE-SANMLTNESA-N -1 3 584.633 4.735 50 0 KJAAHM COc1ccc(C2=NN(C(=O)CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)[n-]3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101229248 554689182 /nfs/dbraw/zinc/68/91/82/554689182.db2.gz UTVVNQNWNXUFGE-AREMUKBSSA-N -1 3 584.633 4.735 50 0 KJAAHM COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101263113 554697593 /nfs/dbraw/zinc/69/75/93/554697593.db2.gz VBJAPNRUVRFFGG-XPWALMASSA-N -1 3 510.377 4.570 50 0 KJAAHM COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21 ZINC000101263114 554697680 /nfs/dbraw/zinc/69/76/80/554697680.db2.gz VBJAPNRUVRFFGG-VJBWXMMDSA-N -1 3 510.377 4.570 50 0 KJAAHM COc1ccccc1[C@@H]1NN(C(=O)c2ccc(C)cc2)C2=C([O-])N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21 ZINC000101263116 554697578 /nfs/dbraw/zinc/69/75/78/554697578.db2.gz VBJAPNRUVRFFGG-RJGXRXQPSA-N -1 3 510.377 4.570 50 0 KJAAHM COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263122 554697559 /nfs/dbraw/zinc/69/75/59/554697559.db2.gz RHWGIEUEWUDEIY-XPWALMASSA-N -1 3 510.377 4.570 50 0 KJAAHM COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263124 554697620 /nfs/dbraw/zinc/69/76/20/554697620.db2.gz RHWGIEUEWUDEIY-VJBWXMMDSA-N -1 3 510.377 4.570 50 0 KJAAHM COc1ccc([C@@H]2NN(C(=O)c3ccc(C)cc3)C3=C([O-])N(c4ccc(Cl)cc4Cl)C(=O)[C@H]32)cc1 ZINC000101263126 554697717 /nfs/dbraw/zinc/69/77/17/554697717.db2.gz RHWGIEUEWUDEIY-RJGXRXQPSA-N -1 3 510.377 4.570 50 0 KJAAHM Cc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@@H]32)cc1 ZINC000101263137 554697896 /nfs/dbraw/zinc/69/78/96/554697896.db2.gz URCPKWWDDFCQLJ-FSSWDIPSSA-N -1 3 524.802 4.671 50 0 KJAAHM COc1ccc(C([O-])=C2[C@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264143 554697917 /nfs/dbraw/zinc/69/79/17/554697917.db2.gz FGMSHBCQTMLNII-CNNODRBYSA-N -1 3 539.304 4.822 50 0 KJAAHM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000101264149 554697783 /nfs/dbraw/zinc/69/77/83/554697783.db2.gz FGMSHBCQTMLNII-NNMXDRDESA-N -1 3 539.304 4.822 50 0 KJAAHM O=C(CSCc1nc(=O)c2c(-c3ccc(Br)cc3)csc2[n-]1)N1CC(=O)Nc2ccccc21 ZINC000101290879 554708025 /nfs/dbraw/zinc/70/80/25/554708025.db2.gz SFGMDDOYZBZALG-UHFFFAOYSA-N -1 3 541.452 4.633 50 0 KJAAHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000101340188 554735065 /nfs/dbraw/zinc/73/50/65/554735065.db2.gz YPDPREQJSKDXFD-MRXNPFEDSA-N -1 3 529.865 4.701 50 0 KJAAHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)cc1Cl ZINC000101340191 554735063 /nfs/dbraw/zinc/73/50/63/554735063.db2.gz YPDPREQJSKDXFD-INIZCTEOSA-N -1 3 529.865 4.701 50 0 KJAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101340216 554735057 /nfs/dbraw/zinc/73/50/57/554735057.db2.gz LDLQLPIAPGKFQI-INIZCTEOSA-N -1 3 549.390 4.938 50 0 KJAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000101340218 554735087 /nfs/dbraw/zinc/73/50/87/554735087.db2.gz LDLQLPIAPGKFQI-MRXNPFEDSA-N -1 3 549.390 4.938 50 0 KJAAHM CCOc1ccc(OCC)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340227 554735067 /nfs/dbraw/zinc/73/50/67/554735067.db2.gz YYLDVBXHZICCLB-LJQANCHMSA-N -1 3 553.500 4.836 50 0 KJAAHM CCOc1ccc(OCC)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000101340230 554735341 /nfs/dbraw/zinc/73/53/41/554735341.db2.gz YYLDVBXHZICCLB-IBGZPJMESA-N -1 3 553.500 4.836 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101421559 554767343 /nfs/dbraw/zinc/76/73/43/554767343.db2.gz OAYCQRPMQSYVCB-JAYSWQADSA-N -1 3 531.033 4.695 50 0 KJAAHM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000101421564 554767357 /nfs/dbraw/zinc/76/73/57/554767357.db2.gz OAYCQRPMQSYVCB-KEQCBNTKSA-N -1 3 531.033 4.695 50 0 KJAAHM O=C([C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000101430111 554770064 /nfs/dbraw/zinc/77/00/64/554770064.db2.gz UJQDKLFKHRHEQN-HHHXNRCGSA-N -1 3 556.713 4.852 50 0 KJAAHM O=C([C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc2nsnc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000101430115 554770394 /nfs/dbraw/zinc/77/03/94/554770394.db2.gz UJQDKLFKHRHEQN-MHZLTWQESA-N -1 3 556.713 4.852 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cccc(F)c2)C1 ZINC000101491069 554785799 /nfs/dbraw/zinc/78/57/99/554785799.db2.gz QBDKSJZCGGGMRW-QHCPKHFHSA-N -1 3 522.023 4.781 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cccc(F)c2)C1 ZINC000101491073 554785821 /nfs/dbraw/zinc/78/58/21/554785821.db2.gz QBDKSJZCGGGMRW-HSZRJFAPSA-N -1 3 522.023 4.781 50 0 KJAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)C1 ZINC000101491088 554785842 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YQGZMCXZOHZZFU-VJBWXMMDSA-N -1 3 538.829 4.925 50 0 KJAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccccc4Cl)C(=O)[C@H]32)cc1 ZINC000102745176 555036984 /nfs/dbraw/zinc/03/69/84/555036984.db2.gz YQGZMCXZOHZZFU-VABKMULXSA-N -1 3 538.829 4.925 50 0 KJAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 ZINC000102745209 555037029 /nfs/dbraw/zinc/03/70/29/555037029.db2.gz DQXZJFFQKXFJNL-SGNDLWITSA-N -1 3 518.411 4.580 50 0 KJAAHM CCc1ccc([C@@H]2NN(C(=O)c3cccc(Br)c3)C3=C([O-])N(c4cccc(C)c4)C(=O)[C@H]32)cc1 ZINC000102745277 555037243 /nfs/dbraw/zinc/03/72/43/555037243.db2.gz QSULRBWXLINHHW-HJOGWXRNSA-N -1 3 518.411 4.580 50 0 KJAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102745926 555038112 /nfs/dbraw/zinc/03/81/12/555038112.db2.gz JAFRYOZMXQRUJI-UPRLRBBYSA-N -1 3 520.541 4.966 50 0 KJAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000102745929 555038192 /nfs/dbraw/zinc/03/81/92/555038192.db2.gz JAFRYOZMXQRUJI-JCYYIGJDSA-N -1 3 520.541 4.966 50 0 KJAAHM CC[C@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1cccc(OC)c1 ZINC000102750869 555044110 /nfs/dbraw/zinc/04/41/10/555044110.db2.gz WNWQMTUHRGRPQD-FQEVSTJZSA-N -1 3 603.520 4.888 50 0 KJAAHM CC[C@@H](Sc1nc2ccsc2c(=O)n1[N-]C(=O)COc1ccccc1Br)C(=O)Nc1cccc(OC)c1 ZINC000102750872 555044166 /nfs/dbraw/zinc/04/41/66/555044166.db2.gz WNWQMTUHRGRPQD-HXUWFJFHSA-N -1 3 603.520 4.888 50 0 KJAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000102751083 555044216 /nfs/dbraw/zinc/04/42/16/555044216.db2.gz PZOAVUVOTVTTCY-HZFUHODCSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000102751085 555044150 /nfs/dbraw/zinc/04/41/50/555044150.db2.gz PZOAVUVOTVTTCY-OZNIXHKMSA-N -1 3 540.597 4.814 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102751188 555044521 /nfs/dbraw/zinc/04/45/21/555044521.db2.gz MSCMGAYIEHZOGR-CCDWMCETSA-N -1 3 508.958 4.894 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000102751190 555044499 /nfs/dbraw/zinc/04/44/99/555044499.db2.gz MSCMGAYIEHZOGR-DSNGMDLFSA-N -1 3 508.958 4.894 50 0 KJAAHM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102751487 555044481 /nfs/dbraw/zinc/04/44/81/555044481.db2.gz BZYYLYYTEBWSRW-ZONZVBGPSA-N -1 3 502.567 4.934 50 0 KJAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102751856 555044838 /nfs/dbraw/zinc/04/48/38/555044838.db2.gz CTCQFSBMMNVBBQ-YPAWHYETSA-N -1 3 529.774 4.868 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102752257 555044865 /nfs/dbraw/zinc/04/48/65/555044865.db2.gz XPIBMGMTTNTAFQ-UPRLRBBYSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000102752259 555044784 /nfs/dbraw/zinc/04/47/84/555044784.db2.gz XPIBMGMTTNTAFQ-JCYYIGJDSA-N -1 3 540.597 4.814 50 0 KJAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102753492 555045472 /nfs/dbraw/zinc/04/54/72/555045472.db2.gz OXSDCKPRHHQRMH-ZONZVBGPSA-N -1 3 502.567 4.934 50 0 KJAAHM C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000102754619 555046258 /nfs/dbraw/zinc/04/62/58/555046258.db2.gz PJAHPKZIAHIBAP-CADFFAPMSA-N -1 3 581.456 4.547 50 0 KJAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102758277 555050272 /nfs/dbraw/zinc/05/02/72/555050272.db2.gz WVIQMLLJZZBOCT-UPRLRBBYSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000102758279 555050341 /nfs/dbraw/zinc/05/03/41/555050341.db2.gz WVIQMLLJZZBOCT-JCYYIGJDSA-N -1 3 540.597 4.814 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102758796 555050675 /nfs/dbraw/zinc/05/06/75/555050675.db2.gz DQBHENFMJQEKBL-NLJOTIRTSA-N -1 3 518.566 4.552 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102758801 555050639 /nfs/dbraw/zinc/05/06/39/555050639.db2.gz DQBHENFMJQEKBL-ONBPZOJHSA-N -1 3 518.566 4.552 50 0 KJAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102759405 555051246 /nfs/dbraw/zinc/05/12/46/555051246.db2.gz DZNKLUCVFPQYRL-DNVJHFABSA-N -1 3 509.356 4.517 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1OC ZINC000102759940 555051833 /nfs/dbraw/zinc/05/18/33/555051833.db2.gz JTIRNWDGRKBKGI-KMDXXIMOSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cc(Br)ccc1OC ZINC000102759941 555051782 /nfs/dbraw/zinc/05/17/82/555051782.db2.gz JTIRNWDGRKBKGI-TZRRMPRUSA-N -1 3 523.383 4.908 50 0 KJAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC ZINC000102760116 555051916 /nfs/dbraw/zinc/05/19/16/555051916.db2.gz ORNQRVQPUKWWID-STROYTFGSA-N -1 3 510.546 4.917 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(Br)c1 ZINC000102760442 555052161 /nfs/dbraw/zinc/05/21/61/555052161.db2.gz DEFWJFLZTDZMDE-RBZQAINGSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(OC)c(Br)c1 ZINC000102760444 555052178 /nfs/dbraw/zinc/05/21/78/555052178.db2.gz DEFWJFLZTDZMDE-WXFUMESZSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000102762454 555053360 /nfs/dbraw/zinc/05/33/60/555053360.db2.gz LZOAYYBRTWSPBI-KMDXXIMOSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000102762457 555053449 /nfs/dbraw/zinc/05/34/49/555053449.db2.gz LZOAYYBRTWSPBI-TZRRMPRUSA-N -1 3 523.383 4.908 50 0 KJAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c(OC)c1OC ZINC000102762707 555053352 /nfs/dbraw/zinc/05/33/52/555053352.db2.gz BKVGQQYQSQAJSB-INNMJMHTSA-N -1 3 510.546 4.917 50 0 KJAAHM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1OCC ZINC000102764880 555054250 /nfs/dbraw/zinc/05/42/50/555054250.db2.gz MFMQLAJBLUGMMX-TWJOJJKGSA-N -1 3 516.550 4.623 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000102766772 555055501 /nfs/dbraw/zinc/05/55/01/555055501.db2.gz UNGVCUZYNZMLNZ-HZFUHODCSA-N -1 3 532.593 4.942 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000102766777 555055529 /nfs/dbraw/zinc/05/55/29/555055529.db2.gz UNGVCUZYNZMLNZ-OZNIXHKMSA-N -1 3 532.593 4.942 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102767970 555055850 /nfs/dbraw/zinc/05/58/50/555055850.db2.gz LMTASRWXQJSKHM-PNIUZAESSA-N -1 3 532.593 4.942 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000102767972 555055834 /nfs/dbraw/zinc/05/58/34/555055834.db2.gz LMTASRWXQJSKHM-CERRFVOPSA-N -1 3 532.593 4.942 50 0 KJAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000102768305 555056098 /nfs/dbraw/zinc/05/60/98/555056098.db2.gz LQOZLPOWRIIDBC-YTFSRNRJSA-N -1 3 509.356 4.517 50 0 KJAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000102768309 555056134 /nfs/dbraw/zinc/05/61/34/555056134.db2.gz LQOZLPOWRIIDBC-DNVJHFABSA-N -1 3 509.356 4.517 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@H]3c1cccs1)CCCC2 ZINC000102860655 555090851 /nfs/dbraw/zinc/09/08/51/555090851.db2.gz WSKABRHZVHHUGL-FDFHNCONSA-N -1 3 508.621 4.835 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1ccc(C)cc1)CCCC2 ZINC000102862161 555092360 /nfs/dbraw/zinc/09/23/60/555092360.db2.gz GOSDQROTNDDOBF-KMDXXIMOSA-N -1 3 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ZINC000195529026 571563370 /nfs/dbraw/zinc/56/33/70/571563370.db2.gz VVQRGKBFIRLJPO-ROKPMTFOSA-N -1 3 518.875 4.663 50 0 KJAAHM COc1ccccc1NC(=O)c1nc2ccccc2nc1C=C([O-])C(=O)Nc1c(F)cc(F)cc1Br ZINC000198724523 571568734 /nfs/dbraw/zinc/56/87/34/571568734.db2.gz KNMUHWRDUBCEPV-UHFFFAOYSA-N -1 3 555.335 4.682 50 0 KJAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2c(F)cccc2Cl)o1 ZINC000218385614 571603766 /nfs/dbraw/zinc/60/37/66/571603766.db2.gz AYSNCWOAXUNYGH-GOSISDBHSA-N -1 3 510.949 4.873 50 0 KJAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2c(F)cccc2Cl)o1 ZINC000218385690 571603689 /nfs/dbraw/zinc/60/36/89/571603689.db2.gz AYSNCWOAXUNYGH-SFHVURJKSA-N -1 3 510.949 4.873 50 0 KJAAHM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000226260129 572135296 /nfs/dbraw/zinc/13/52/96/572135296.db2.gz YQNFHGNEPXUQMR-UEXGIBASSA-N -1 3 509.278 4.813 50 0 KJAAHM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4ccc(Br)cc4)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 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CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(Br)c1 ZINC000226823281 572142613 /nfs/dbraw/zinc/14/26/13/572142613.db2.gz DEFWJFLZTDZMDE-KMDXXIMOSA-N -1 3 523.383 4.908 50 0 KJAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000226823888 572142708 /nfs/dbraw/zinc/14/27/08/572142708.db2.gz DZNKLUCVFPQYRL-YTFSRNRJSA-N -1 3 509.356 4.517 50 0 KJAAHM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226823927 572142493 /nfs/dbraw/zinc/14/24/93/572142493.db2.gz OXSDCKPRHHQRMH-OYUWMTPXSA-N -1 3 502.567 4.934 50 0 KJAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000226828169 572142570 /nfs/dbraw/zinc/14/25/70/572142570.db2.gz WVIQMLLJZZBOCT-HZFUHODCSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000226830341 572142449 /nfs/dbraw/zinc/14/24/49/572142449.db2.gz XPIBMGMTTNTAFQ-HZFUHODCSA-N -1 3 540.597 4.814 50 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ZINC000229593029 572154422 /nfs/dbraw/zinc/15/44/22/572154422.db2.gz XJOPJYXYFWDENA-CTMYTVLESA-N -1 3 555.590 4.863 50 0 KJAAHM C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000229861570 572162077 /nfs/dbraw/zinc/16/20/77/572162077.db2.gz PJAHPKZIAHIBAP-CNFVFWEUSA-N -1 3 581.456 4.547 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000229901083 572167308 /nfs/dbraw/zinc/16/73/08/572167308.db2.gz AAYYNCIIYJVLAB-QZNHQXDQSA-N -1 3 659.511 4.938 50 0 KJAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1 ZINC000229906196 572167990 /nfs/dbraw/zinc/16/79/90/572167990.db2.gz DBDWNCIYSTXCGQ-ZGIBFIJWSA-N -1 3 550.567 4.974 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000229956345 572173840 /nfs/dbraw/zinc/17/38/40/572173840.db2.gz GSQZDYYGRHMAIA-PWRODBHTSA-N -1 3 555.008 4.724 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000229967523 572174367 /nfs/dbraw/zinc/17/43/67/572174367.db2.gz GOSDQROTNDDOBF-RBZQAINGSA-N -1 3 502.592 4.773 50 0 KJAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000229968491 572175280 /nfs/dbraw/zinc/17/52/80/572175280.db2.gz RWJVPNNPOYZWRN-RBZQAINGSA-N -1 3 506.942 4.576 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1cccs1)CCCC2 ZINC000229969031 572175546 /nfs/dbraw/zinc/17/55/46/572175546.db2.gz WSKABRHZVHHUGL-BHDDXSALSA-N -1 3 508.621 4.835 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1C)[C@@H]3c1ccccc1)CCCC2 ZINC000229969179 572175566 /nfs/dbraw/zinc/17/55/66/572175566.db2.gz SZKOLGDUOUMZTP-RBZQAINGSA-N -1 3 502.592 4.773 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229977655 572175863 /nfs/dbraw/zinc/17/58/63/572175863.db2.gz QOGNHDGKUZYEBQ-NJBJSMFESA-N -1 3 528.992 4.919 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Br)cc1)[C@@H]2c1cccnc1 ZINC000229979038 572176439 /nfs/dbraw/zinc/17/64/39/572176439.db2.gz QWVYWZXTRYISRT-XUVXKRRUSA-N -1 3 518.289 4.914 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000229983748 572176540 /nfs/dbraw/zinc/17/65/40/572176540.db2.gz PZHYBGUBOYUARH-OYUWMTPXSA-N -1 3 544.560 4.645 50 0 KJAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000229986248 572177248 /nfs/dbraw/zinc/17/72/48/572177248.db2.gz OOMMYEXRWKFMJF-FDFHNCONSA-N -1 3 517.994 4.912 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000229999723 572177923 /nfs/dbraw/zinc/17/79/23/572177923.db2.gz UNGVCUZYNZMLNZ-UPRLRBBYSA-N -1 3 532.593 4.942 50 0 KJAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000230005797 572178305 /nfs/dbraw/zinc/17/83/05/572178305.db2.gz QGGHOGJQZWHCFH-UPRLRBBYSA-N -1 3 540.597 4.814 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000230011267 572178532 /nfs/dbraw/zinc/17/85/32/572178532.db2.gz GZQFZDNPGFECFD-OYUWMTPXSA-N -1 3 526.570 4.505 50 0 KJAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000230012883 572178495 /nfs/dbraw/zinc/17/84/95/572178495.db2.gz MNBFKRRRPRIYNW-OYUWMTPXSA-N -1 3 526.570 4.505 50 0 KJAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000230019108 572179290 /nfs/dbraw/zinc/17/92/90/572179290.db2.gz PZOAVUVOTVTTCY-UPRLRBBYSA-N -1 3 540.597 4.814 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000230019311 572178985 /nfs/dbraw/zinc/17/89/85/572178985.db2.gz MSCMGAYIEHZOGR-ISJGIBHGSA-N -1 3 508.958 4.894 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000230033603 572180753 /nfs/dbraw/zinc/18/07/53/572180753.db2.gz YQHMCXNPSUVVDG-ZWEKWIFMSA-N -1 3 518.566 4.552 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1OC ZINC000230034429 572180613 /nfs/dbraw/zinc/18/06/13/572180613.db2.gz JTIRNWDGRKBKGI-RBZQAINGSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000230041271 572180971 /nfs/dbraw/zinc/18/09/71/572180971.db2.gz LZOAYYBRTWSPBI-RBZQAINGSA-N -1 3 523.383 4.908 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000230055957 572181576 /nfs/dbraw/zinc/18/15/76/572181576.db2.gz LMTASRWXQJSKHM-BXTSTYNKSA-N -1 3 532.593 4.942 50 0 KJAAHM O=C(Oc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000230089430 572183315 /nfs/dbraw/zinc/18/33/15/572183315.db2.gz VVQRGKBFIRLJPO-REHUZNOOSA-N -1 3 518.875 4.663 50 0 KJAAHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1ccc(C)cc1)CCCC2 ZINC000238899560 572188901 /nfs/dbraw/zinc/18/89/01/572188901.db2.gz GOSDQROTNDDOBF-WXFUMESZSA-N -1 3 502.592 4.773 50 0 KJAAHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccc(Br)cc1)[C@@H]2c1cccnc1 ZINC000238924090 572189475 /nfs/dbraw/zinc/18/94/75/572189475.db2.gz QWVYWZXTRYISRT-VAMGGRTRSA-N -1 3 518.289 4.914 50 0 KJAAHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000238924307 572189653 /nfs/dbraw/zinc/18/96/53/572189653.db2.gz RWJVPNNPOYZWRN-WXFUMESZSA-N -1 3 506.942 4.576 50 0 KJAAHM O=C(c1cccs1)[C@@H]1C(=C([O-])c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240271 572213708 /nfs/dbraw/zinc/21/37/08/572213708.db2.gz PGKSFOBXHNEJOC-YTEUAAESSA-N -1 3 503.583 4.999 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(Br)c(O)c(OCC)c2)c(C(=O)OC)c1C ZINC000245245116 572216891 /nfs/dbraw/zinc/21/68/91/572216891.db2.gz AAYYNCIIYJVLAB-MQSCRBSSSA-N -1 3 659.511 4.938 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000245245161 572217312 /nfs/dbraw/zinc/21/73/12/572217312.db2.gz ASKBTZIWPQXAHJ-KWXIBIRDSA-N -1 3 676.725 4.839 50 0 KJAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000245247200 572220415 /nfs/dbraw/zinc/22/04/15/572220415.db2.gz RLZDRXPLIPXJAK-OZNIXHKMSA-N -1 3 556.596 4.514 50 0 KJAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)c1 ZINC000245309099 572227112 /nfs/dbraw/zinc/22/71/12/572227112.db2.gz AYBMZNQKYRKQDE-JCYYIGJDSA-N -1 3 540.597 4.814 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC)c(Br)c1 ZINC000245309461 572227639 /nfs/dbraw/zinc/22/76/39/572227639.db2.gz DEFWJFLZTDZMDE-TZRRMPRUSA-N -1 3 523.383 4.908 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245309646 572227509 /nfs/dbraw/zinc/22/75/09/572227509.db2.gz DQBHENFMJQEKBL-FKCDAAJZSA-N -1 3 518.566 4.552 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000245310387 572228073 /nfs/dbraw/zinc/22/80/73/572228073.db2.gz IRHSOAZMWCCHOB-OZNIXHKMSA-N -1 3 540.597 4.814 50 0 KJAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000245310407 572227954 /nfs/dbraw/zinc/22/79/54/572227954.db2.gz JAFRYOZMXQRUJI-OZNIXHKMSA-N -1 3 520.541 4.966 50 0 KJAAHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cc(Br)ccc1OC ZINC000245310687 572228831 /nfs/dbraw/zinc/22/88/31/572228831.db2.gz JTIRNWDGRKBKGI-WXFUMESZSA-N -1 3 523.383 4.908 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000245311007 572228929 /nfs/dbraw/zinc/22/89/29/572228929.db2.gz LIBDXMDOAPMSDR-TZRRMPRUSA-N -1 3 523.383 4.908 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2OC)cc1 ZINC000245311018 572228728 /nfs/dbraw/zinc/22/87/28/572228728.db2.gz LMTASRWXQJSKHM-INNMJMHTSA-N -1 3 532.593 4.942 50 0 KJAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000245311026 572228614 /nfs/dbraw/zinc/22/86/14/572228614.db2.gz LQOZLPOWRIIDBC-XPWALMASSA-N -1 3 509.356 4.517 50 0 KJAAHM CCOc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000245311067 572228658 /nfs/dbraw/zinc/22/86/58/572228658.db2.gz LZOAYYBRTWSPBI-WXFUMESZSA-N -1 3 523.383 4.908 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000245311299 572229428 /nfs/dbraw/zinc/22/94/28/572229428.db2.gz MSCMGAYIEHZOGR-UBFVSLLYSA-N -1 3 508.958 4.894 50 0 KJAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000245311677 572229470 /nfs/dbraw/zinc/22/94/70/572229470.db2.gz PZOAVUVOTVTTCY-JCYYIGJDSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1 ZINC000245311686 572229613 /nfs/dbraw/zinc/22/96/13/572229613.db2.gz QGGHOGJQZWHCFH-JCYYIGJDSA-N -1 3 540.597 4.814 50 0 KJAAHM COc1ccc(OC)c(C([O-])=C2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245311707 572229577 /nfs/dbraw/zinc/22/95/77/572229577.db2.gz QOGNHDGKUZYEBQ-YRUYCOJQSA-N -1 3 528.992 4.919 50 0 KJAAHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000245312335 572229952 /nfs/dbraw/zinc/22/99/52/572229952.db2.gz UNGVCUZYNZMLNZ-JCYYIGJDSA-N -1 3 532.593 4.942 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)cc2OC)cc1 ZINC000245312356 572229705 /nfs/dbraw/zinc/22/97/05/572229705.db2.gz USMLGOCMAVDZAG-ZONZVBGPSA-N -1 3 518.566 4.552 50 0 KJAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000245312781 572230202 /nfs/dbraw/zinc/23/02/02/572230202.db2.gz WVIQMLLJZZBOCT-OZNIXHKMSA-N -1 3 540.597 4.814 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000245312827 572230366 /nfs/dbraw/zinc/23/03/66/572230366.db2.gz XPIBMGMTTNTAFQ-OZNIXHKMSA-N -1 3 540.597 4.814 50 0 KJAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(OC(=O)c2ccccc2)cc1 ZINC000245312904 572230136 /nfs/dbraw/zinc/23/01/36/572230136.db2.gz YOQWWPKGYIQFCM-OZNIXHKMSA-N -1 3 520.541 4.966 50 0 KJAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000245312907 572230175 /nfs/dbraw/zinc/23/01/75/572230175.db2.gz YQHMCXNPSUVVDG-RGSZASNESA-N -1 3 518.566 4.552 50 0 KJAAHM CCOC(=O)c1sc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c(C(=O)OC)c1C ZINC000245325641 572232157 /nfs/dbraw/zinc/23/21/57/572232157.db2.gz GSQZDYYGRHMAIA-NJDAHSKKSA-N -1 3 555.008 4.724 50 0 KJAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2sc(=O)n(-c3ccccc3)c2Cl)c1 ZINC000245327354 572234162 /nfs/dbraw/zinc/23/41/62/572234162.db2.gz OOMMYEXRWKFMJF-BHIFYINESA-N -1 3 517.994 4.912 50 0 KJAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2sc(=O)n(-c3ccccc3)c2Cl)cc1 ZINC000245328156 572234869 /nfs/dbraw/zinc/23/48/69/572234869.db2.gz SLFHHAKBDIOKSZ-YPAWHYETSA-N -1 3 517.994 4.912 50 0 KJAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1sc(=O)n(-c2ccccc2)c1Cl ZINC000245329219 572235640 /nfs/dbraw/zinc/23/56/40/572235640.db2.gz YFLRBLNXCVATHI-YPAWHYETSA-N -1 3 517.994 4.912 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cccc(Cl)c2)cc1 ZINC000245343173 572237712 /nfs/dbraw/zinc/23/77/12/572237712.db2.gz HESLAXFJYDRETO-XPWALMASSA-N -1 3 554.828 4.761 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000245343248 572238101 /nfs/dbraw/zinc/23/81/01/572238101.db2.gz JNQBTWDSOBSRFN-XPWALMASSA-N -1 3 554.828 4.761 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000245343353 572238658 /nfs/dbraw/zinc/23/86/58/572238658.db2.gz MNWWZZSIMSKFSL-TZRRMPRUSA-N -1 3 566.477 4.830 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000245343442 572238928 /nfs/dbraw/zinc/23/89/28/572238928.db2.gz OXTBWQHAKSYZED-TZRRMPRUSA-N -1 3 629.305 4.879 50 0 KJAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])N(C(=O)c2cccc(Br)c2)N[C@@H]3c2ccccc2OCC)cc1 ZINC000245343452 572238949 /nfs/dbraw/zinc/23/89/49/572238949.db2.gz PFPLKXKFYKWWIW-UBFVSLLYSA-N -1 3 564.436 4.506 50 0 KJAAHM C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743947 572244460 /nfs/dbraw/zinc/24/44/60/572244460.db2.gz PJAHPKZIAHIBAP-DKVZCVDGSA-N -1 3 581.456 4.547 50 0 KJAAHM C[C@@H]1C[C@H](C(=O)Oc2ccc([C@@H]3[C@@H]4C(=O)N(c5ccc(Cl)c(Cl)c5)C([O-])=C4ON3c3ccccc3)cc2)N(C)N1 ZINC000247743951 572244395 /nfs/dbraw/zinc/24/43/95/572244395.db2.gz PJAHPKZIAHIBAP-NHNMTILXSA-N -1 3 581.456 4.547 50 0 KJAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000248091954 572253373 /nfs/dbraw/zinc/25/33/73/572253373.db2.gz XZXKPIYOJXUXGK-BJKOFHAPSA-N -1 3 506.546 4.691 50 0 KJAAHM COc1ccc(C[C@]2(CN3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000252347009 572260152 /nfs/dbraw/zinc/26/01/52/572260152.db2.gz RPOCLRMLCJYPNM-QJWGWKRISA-N -1 3 543.620 4.984 50 0 KJAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(I)cc3)nc(N3CCCCC3)n2)cc1 ZINC000252616168 572268666 /nfs/dbraw/zinc/26/86/66/572268666.db2.gz JYFZRWJIABQCPV-UHFFFAOYSA-N -1 3 544.357 4.564 50 0 KJAAHM CC(=O)Nc1ccc(C(C)N=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(N3CCCCCC3)n2)cc1 ZINC000252631551 572271511 /nfs/dbraw/zinc/27/15/11/572271511.db2.gz VLYPWRAILAVDTR-UHFFFAOYSA-N -1 3 503.567 4.698 50 0 KJAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cc(Br)ccc3O)nc(N3CCCCCC3)n2)cc1 ZINC000252637860 572272096 /nfs/dbraw/zinc/27/20/96/572272096.db2.gz XXNSYVQVTGJLQT-UHFFFAOYSA-N -1 3 527.383 4.818 50 0 KJAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3cc4c(cc3Br)OCO4)nc(N3CCCCCC3)n2)cc1 ZINC000252640470 572272251 /nfs/dbraw/zinc/27/22/51/572272251.db2.gz YUQNQUCPDQMATD-UHFFFAOYSA-N -1 3 555.393 4.841 50 0 KJAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(N3CCCC3)n2)cc1 ZINC000252643775 572272559 /nfs/dbraw/zinc/27/25/59/572272559.db2.gz ZWNBIFZGIWSJIX-UHFFFAOYSA-N -1 3 515.490 4.738 50 0 KJAAHM COc1cccc([C@@H]2C3=C(N=c4sc(=Cc5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000252671720 572277189 /nfs/dbraw/zinc/27/71/89/572277189.db2.gz OAYCQRPMQSYVCB-AREMUKBSSA-N -1 3 531.033 4.695 50 0 KJAAHM COc1cccc([C@H]2C3=C(N=c4sc(=Cc5cc(Cl)c([O-])c(OC)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000252671721 572277209 /nfs/dbraw/zinc/27/72/09/572277209.db2.gz OAYCQRPMQSYVCB-SANMLTNESA-N -1 3 531.033 4.695 50 0 KJAAHM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252672308 572277758 /nfs/dbraw/zinc/27/77/58/572277758.db2.gz PVVNAXLMFQPQRJ-RUZDIDTESA-N -1 3 609.473 4.551 50 0 KJAAHM CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3cc(Br)c([O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252672309 572277756 /nfs/dbraw/zinc/27/77/56/572277756.db2.gz PVVNAXLMFQPQRJ-VWLOTQADSA-N -1 3 609.473 4.551 50 0 KJAAHM COc1cc(C=c2sc3n(c2=O)[C@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000252675483 572279144 /nfs/dbraw/zinc/27/91/44/572279144.db2.gz UDHAFKXARZSLDD-RUZDIDTESA-N -1 3 610.448 4.777 50 0 KJAAHM COc1cc(C=c2sc3n(c2=O)[C@@H](c2cccc(F)c2)C2=C(N=3)c3ccccc3CC2)cc(I)c1[O-] ZINC000252675484 572279175 /nfs/dbraw/zinc/27/91/75/572279175.db2.gz UDHAFKXARZSLDD-VWLOTQADSA-N -1 3 610.448 4.777 50 0 KJAAHM COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396152 572284082 /nfs/dbraw/zinc/28/40/82/572284082.db2.gz AVDAMQNALPSANO-GZGVDWRWSA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396154 572284034 /nfs/dbraw/zinc/28/40/34/572284034.db2.gz AVDAMQNALPSANO-QCBOHVIISA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396156 572284111 /nfs/dbraw/zinc/28/41/11/572284111.db2.gz AVDAMQNALPSANO-WNSROMTISA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253396159 572284039 /nfs/dbraw/zinc/28/40/39/572284039.db2.gz AVDAMQNALPSANO-XDCSYDRFSA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253399193 572284726 /nfs/dbraw/zinc/28/47/26/572284726.db2.gz CROZBFXIENOIOF-GZGVDWRWSA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253399196 572284709 /nfs/dbraw/zinc/28/47/09/572284709.db2.gz CROZBFXIENOIOF-QCBOHVIISA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253399206 572284706 /nfs/dbraw/zinc/28/47/06/572284706.db2.gz CROZBFXIENOIOF-WNSROMTISA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253399209 572284593 /nfs/dbraw/zinc/28/45/93/572284593.db2.gz CROZBFXIENOIOF-XDCSYDRFSA-N -1 3 691.730 4.945 50 0 KJAAHM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410344 572287358 /nfs/dbraw/zinc/28/73/58/572287358.db2.gz NFNYIYXAFHVFCS-GZGVDWRWSA-N -1 3 721.756 4.954 50 0 KJAAHM COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410349 572287351 /nfs/dbraw/zinc/28/73/51/572287351.db2.gz NFNYIYXAFHVFCS-QCBOHVIISA-N -1 3 721.756 4.954 50 0 KJAAHM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410350 572287322 /nfs/dbraw/zinc/28/73/22/572287322.db2.gz NFNYIYXAFHVFCS-WNSROMTISA-N -1 3 721.756 4.954 50 0 KJAAHM COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253410354 572287388 /nfs/dbraw/zinc/28/73/88/572287388.db2.gz NFNYIYXAFHVFCS-XDCSYDRFSA-N -1 3 721.756 4.954 50 0 KJAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411293 572287559 /nfs/dbraw/zinc/28/75/59/572287559.db2.gz OLHYAHZLKMXUAW-NYFMKLKXSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411294 572287483 /nfs/dbraw/zinc/28/74/83/572287483.db2.gz OLHYAHZLKMXUAW-OOOSNSGVSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411296 572287535 /nfs/dbraw/zinc/28/75/35/572287535.db2.gz OLHYAHZLKMXUAW-UBOZLPQGSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@H](c1ccc(O)cc1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411298 572287514 /nfs/dbraw/zinc/28/75/14/572287514.db2.gz OLHYAHZLKMXUAW-UTONBFNKSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411352 572287497 /nfs/dbraw/zinc/28/74/97/572287497.db2.gz ONKITAOSKQEMNC-NYFMKLKXSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411355 572287475 /nfs/dbraw/zinc/28/74/75/572287475.db2.gz ONKITAOSKQEMNC-OOOSNSGVSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@@H](c1cccc(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411358 572287564 /nfs/dbraw/zinc/28/75/64/572287564.db2.gz ONKITAOSKQEMNC-UBOZLPQGSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@H](c1cccc(O)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253411360 572287555 /nfs/dbraw/zinc/28/75/55/572287555.db2.gz ONKITAOSKQEMNC-UTONBFNKSA-N -1 3 661.704 4.937 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413132 572288395 /nfs/dbraw/zinc/28/83/95/572288395.db2.gz TWZGYWVMXJXELQ-JCVFDAPQSA-N -1 3 705.757 4.732 50 0 KJAAHM COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413133 572288383 /nfs/dbraw/zinc/28/83/83/572288383.db2.gz TWZGYWVMXJXELQ-QYTMHSNXSA-N -1 3 705.757 4.732 50 0 KJAAHM COC(=O)C[C@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413134 572288351 /nfs/dbraw/zinc/28/83/51/572288351.db2.gz TWZGYWVMXJXELQ-URNDWHGUSA-N -1 3 705.757 4.732 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(OC)c(CO)c1)c1oc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(=O)c1[O-] ZINC000253413135 572288347 /nfs/dbraw/zinc/28/83/47/572288347.db2.gz TWZGYWVMXJXELQ-UXCMTWRGSA-N -1 3 705.757 4.732 50 0 KJAAHM CC(=O)Oc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000253488125 572291303 /nfs/dbraw/zinc/29/13/03/572291303.db2.gz XJOPJYXYFWDENA-AOFBEVEVSA-N -1 3 555.590 4.863 50 0 KJAAHM CC(=O)Oc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccccn3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000253488126 572291284 /nfs/dbraw/zinc/29/12/84/572291284.db2.gz XJOPJYXYFWDENA-HPNWTYDNSA-N -1 3 555.590 4.863 50 0 KJAAHM COc1cc(C=NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc(Br)c1[O-] ZINC000254519031 1067147929 /nfs/dbraw/zinc/14/79/29/1067147929.db2.gz VBSQRTJVBDLIQD-UHFFFAOYSA-N -1 3 501.406 4.626 50 0 KJAAHM CC(C)CN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c2ccccc21 ZINC000254740842 1067152668 /nfs/dbraw/zinc/15/26/68/1067152668.db2.gz IVEQSPWSOUHBRX-UHFFFAOYSA-N -1 3 527.990 4.868 50 0 KJAAHM COc1cc(-c2cc(C(=O)NN=Cc3cc(Br)ccc3[O-])[nH]n2)ccc1OCc1ccccc1 ZINC000254756691 1067153608 /nfs/dbraw/zinc/15/36/08/1067153608.db2.gz AQOXVERRNQZMEN-UHFFFAOYSA-N -1 3 521.371 4.896 50 0 KJAAHM CCN(CC)S(=O)(=O)c1ccc([N-]N=C2c3ccccc3N(Cc3ccccc3Cl)C2=O)c([N+](=O)[O-])c1 ZINC000254835394 1067154773 /nfs/dbraw/zinc/15/47/73/1067154773.db2.gz IRXISHVMXNOAOZ-UHFFFAOYSA-N -1 3 542.017 4.642 50 0 KJAAHM COc1cc(C=NNC(=O)CSc2nnc(SCc3ccccc3)s2)cc(Br)c1[O-] ZINC000254912780 1066197152 /nfs/dbraw/zinc/19/71/52/1066197152.db2.gz YNWPGGDWHZQSON-UHFFFAOYSA-N -1 3 525.475 4.550 50 0 KJAAHM CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000263585231 572117636 /nfs/dbraw/zinc/11/76/36/572117636.db2.gz GNXCUJWFPCLRPP-JTXUTKQDSA-N -1 3 671.755 4.517 50 0 KJAAHM CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000263585231 572117631 /nfs/dbraw/zinc/11/76/31/572117631.db2.gz GNXCUJWFPCLRPP-JTXUTKQDSA-N -1 3 671.755 4.517 50 0 KJAAHM CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(CCc2nn[n-]n2)cc1 ZINC000263585327 572118231 /nfs/dbraw/zinc/11/82/31/572118231.db2.gz HLVXUVCGLNSHHN-WWDMOCDSSA-N -1 3 669.783 4.627 50 0 KJAAHM CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(CCc2nnn[n-]2)cc1 ZINC000263585327 572118228 /nfs/dbraw/zinc/11/82/28/572118228.db2.gz HLVXUVCGLNSHHN-WWDMOCDSSA-N -1 3 669.783 4.627 50 0 KJAAHM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263586089 572121658 /nfs/dbraw/zinc/12/16/58/572121658.db2.gz PXBCAQBQZMLCCS-DEOSSOPVSA-N -1 3 603.624 4.663 50 0 KJAAHM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(CN2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1[O-] ZINC000263586090 572121582 /nfs/dbraw/zinc/12/15/82/572121582.db2.gz PXBCAQBQZMLCCS-XMMPIXPASA-N -1 3 603.624 4.663 50 0 KJAAHM COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1-c1nn[n-]n1 ZINC000263586888 572125872 /nfs/dbraw/zinc/12/58/72/572125872.db2.gz ZHYZUISNMDXXQH-BDYUSTAISA-N -1 3 671.755 4.517 50 0 KJAAHM COc1ccc(NC(=O)[C@H](CC(C)C)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)cc1-c1nnn[n-]1 ZINC000263586888 572125869 /nfs/dbraw/zinc/12/58/69/572125869.db2.gz ZHYZUISNMDXXQH-BDYUSTAISA-N -1 3 671.755 4.517 50 0 KJAAHM CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[n-]c(N5CCN(c6ccccc6)CC5)n4)cc3cc21 ZINC000575473065 1066469438 /nfs/dbraw/zinc/46/94/38/1066469438.db2.gz BZJDCXKFONZOTE-UHFFFAOYSA-N -1 3 509.610 4.914 50 0 KJAAHM CC1=CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(=O)[n-]c(N5CCN(Cc6ccccc6)CC5)n4)cc3cc21 ZINC000584906173 1066469243 /nfs/dbraw/zinc/46/92/43/1066469243.db2.gz DLURLCLWUCXKHY-UHFFFAOYSA-N -1 3 523.637 4.910 50 0 KJAAHM CC(C)(C)O[N-]C(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc21 ZINC000585151857 1066507345 /nfs/dbraw/zinc/50/73/45/1066507345.db2.gz DDEQIWLWJUDFKG-ACHIHNKUSA-N -1 3 640.756 4.677 50 0 KJAAHM CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000604404031 1066498192 /nfs/dbraw/zinc/49/81/92/1066498192.db2.gz INHGQMPYIVYCOQ-IWWVAPJASA-N -1 3 630.702 4.706 50 0 KJAAHM CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000888089794 1066399265 /nfs/dbraw/zinc/39/92/65/1066399265.db2.gz INHGQMPYIVYCOQ-BZWCRFLISA-N -1 3 630.702 4.706 50 0 KJAAHM CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000888089795 1066398984 /nfs/dbraw/zinc/39/89/84/1066398984.db2.gz INHGQMPYIVYCOQ-JMWMNHOVSA-N -1 3 630.702 4.706 50 0 KJAAHM CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000888089796 1066399140 /nfs/dbraw/zinc/39/91/40/1066399140.db2.gz INHGQMPYIVYCOQ-OOFIYHFUSA-N -1 3 630.702 4.706 50 0 KJAAHM CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000888089797 1066399399 /nfs/dbraw/zinc/39/93/99/1066399399.db2.gz INHGQMPYIVYCOQ-SROSBETESA-N -1 3 630.702 4.706 50 0 KJAAHM Cc1nccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)n1 ZINC000952855817 1066507682 /nfs/dbraw/zinc/50/76/82/1066507682.db2.gz DOSAKBICEWXYCF-GDLZYMKVSA-N -1 3 536.588 4.583 50 0 KJAAHM O=C(c1ccccn1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952856425 1066507866 /nfs/dbraw/zinc/50/78/66/1066507866.db2.gz FAHITQCOGVRENN-LJAQVGFWSA-N -1 3 521.573 4.880 50 0 KJAAHM O=C(Cc1cccnc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952856986 1066508260 /nfs/dbraw/zinc/50/82/60/1066508260.db2.gz PNVLPUNNCAMSEG-HKBQPEDESA-N -1 3 535.600 4.809 50 0 KJAAHM O=C(c1cccnc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952857098 1066508206 /nfs/dbraw/zinc/50/82/06/1066508206.db2.gz ZINUMLDDFBWXPW-LJAQVGFWSA-N -1 3 521.573 4.880 50 0 KJAAHM COCc1c(C)onc1C(=O)N1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952857652 1066508311 /nfs/dbraw/zinc/50/83/11/1066508311.db2.gz QOKUJKAPPRRKJR-SSEXGKCCSA-N -1 3 569.614 4.928 50 0 KJAAHM Cc1cc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)n(C)n1 ZINC000952857814 1066509014 /nfs/dbraw/zinc/50/90/14/1066509014.db2.gz VEZLJAFFOKKEOH-GDLZYMKVSA-N -1 3 538.604 4.527 50 0 KJAAHM CCn1ccc(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)cc1=O ZINC000952858994 1066508849 /nfs/dbraw/zinc/50/88/49/1066508849.db2.gz MHSZUOSDZXJYOE-WJOKGBTCSA-N -1 3 565.626 4.666 50 0 KJAAHM Cc1nc[nH]c1CN1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952861592 1066508834 /nfs/dbraw/zinc/50/88/34/1066508834.db2.gz DZDABRJAWAPGCI-GDLZYMKVSA-N -1 3 510.594 4.876 50 0 KJAAHM O=C(c1ccncc1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952862457 1066509413 /nfs/dbraw/zinc/50/94/13/1066509413.db2.gz NXWRPDURWBXCDM-LJAQVGFWSA-N -1 3 521.573 4.880 50 0 KJAAHM O=C(c1ccc[nH]1)N1CCc2cc3ccc2[C@@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1[O-])O3 ZINC000952865863 1066509785 /nfs/dbraw/zinc/50/97/85/1066509785.db2.gz XAERSXUFRWURJZ-NDEPHWFRSA-N -1 3 509.562 4.813 50 0 KJAAHM COCC1(C(=O)N2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)CC1 ZINC000952867569 1066509933 /nfs/dbraw/zinc/50/99/33/1066509933.db2.gz PHOXNYSDPHDCHY-MUUNZHRXSA-N -1 3 528.605 4.598 50 0 KJAAHM COCCc1ncc(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)cn1 ZINC000952868181 1066509395 /nfs/dbraw/zinc/50/93/95/1066509395.db2.gz CPKXQSPHJGNKKN-JGCGQSQUSA-N -1 3 566.658 4.823 50 0 KJAAHM O=C(c1ccc(C(=O)N2CCc3cc4ccc3[C@@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2[O-])O4)cc1)N1CCOCC1 ZINC000952869978 1066509436 /nfs/dbraw/zinc/50/94/36/1066509436.db2.gz RXTVCDGNZLEKSS-UMSFTDKQSA-N -1 3 633.701 4.957 50 0 KJAAHM