smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000101078799 1069769606 /nfs/dbraw/zinc/76/96/06/1069769606.db2.gz CFEWKPHAFOTUEF-UHFFFAOYSA-N -1 1 579.560 7.278 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000102969225 1071054943 /nfs/dbraw/zinc/05/49/43/1071054943.db2.gz GGMDPSCZEQJNJL-DPTAGMOHSA-N -1 1 615.677 7.943 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)cc1OC ZINC000263584737 1071122770 /nfs/dbraw/zinc/12/27/70/1071122770.db2.gz AAPMXCPHQXRDFG-DEOSSOPVSA-N -1 1 636.653 6.189 50 0 KKAAMM O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CC[N@@H+]2Cc2ccncc2)Oc2ccc(O)c1c2 ZINC000952858820 1071297530 /nfs/dbraw/zinc/29/75/30/1071297530.db2.gz HBJQKIKAVCWJGT-PMERELPUSA-N -1 1 507.590 5.240 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000951726600 1072829775 /nfs/dbraw/zinc/82/97/75/1072829775.db2.gz CYGZFPNKVSAITB-QHCPKHFHSA-N -1 1 573.598 5.488 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000951726600 1072829783 /nfs/dbraw/zinc/82/97/83/1072829783.db2.gz CYGZFPNKVSAITB-QHCPKHFHSA-N -1 1 573.598 5.488 50 0 KKAAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254411338 1072854266 /nfs/dbraw/zinc/85/42/66/1072854266.db2.gz BSSYAHGJVXGHCV-UHFFFAOYSA-N -1 1 573.034 6.348 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NN=Cc3c4ccccc4c(Cl)c4ccccc34)cc2)cc1 ZINC000254516374 1072861727 /nfs/dbraw/zinc/86/17/27/1072861727.db2.gz FLCKEXBJVZWDSM-UHFFFAOYSA-N -1 1 558.059 6.610 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NN=C1SC(=N)N=C1c1ccc(F)cc1 ZINC000254521484 1072862445 /nfs/dbraw/zinc/86/24/45/1072862445.db2.gz JIFGOLRHJYJYHS-UHFFFAOYSA-N -1 1 501.996 5.485 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NN=C1SC(=N)N=C1c1cc(F)ccc1F ZINC000254700104 1072870491 /nfs/dbraw/zinc/87/04/91/1072870491.db2.gz CUQZJPKTRDTZEM-UHFFFAOYSA-N -1 1 519.986 5.624 50 0 KKAAMM COc1cc(C=NNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1OCCOc1ccccc1Cl ZINC000254706044 1072871829 /nfs/dbraw/zinc/87/18/29/1072871829.db2.gz GLRRTXFPCILCTD-UHFFFAOYSA-N -1 1 614.507 6.025 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(N=NC(C)c3ccc(Br)cc3)c([N+](=O)[O-])c2)cc1 ZINC000254738751 1072873770 /nfs/dbraw/zinc/87/37/70/1072873770.db2.gz KBHRRRAMMGNNCY-UHFFFAOYSA-N -1 1 519.377 5.003 50 0 KKAAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[N-][NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000254763407 1072878055 /nfs/dbraw/zinc/87/80/55/1072878055.db2.gz LSRNPIWWXLTGNA-UHFFFAOYSA-N -1 1 544.977 5.003 50 0 KKAAMM Cc1ccc(C)c(CNc2cc(C(=O)NCc3cccnc3)cc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000014535499 1072890859 /nfs/dbraw/zinc/89/08/59/1072890859.db2.gz ZXMBZIQNFWMOCD-UHFFFAOYSA-N -1 1 500.624 5.041 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1ccccc1Br ZINC000000651433 551512790 /nfs/dbraw/zinc/51/27/90/551512790.db2.gz KWBXTVSZODIMPN-UHFFFAOYSA-N -1 1 581.488 6.398 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1Br ZINC000000659814 551515425 /nfs/dbraw/zinc/51/54/25/551515425.db2.gz WOYAAUKJCBYGJA-UHFFFAOYSA-N -1 1 545.864 5.021 50 0 KKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(CC)cc3)CCCC2=O)cc1 ZINC000000834385 551546551 /nfs/dbraw/zinc/54/65/51/551546551.db2.gz WDWRXRKYMKTUNF-UHFFFAOYSA-N -1 1 536.675 5.323 50 0 KKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)cc1)c1ccccc1 ZINC000000990966 551594107 /nfs/dbraw/zinc/59/41/07/551594107.db2.gz FPTCBFNVHYSUAE-UHFFFAOYSA-N -1 1 511.603 5.333 50 0 KKAAMM O=c1[n-]nc(SCCS(=O)(=O)c2ccc(Cl)cc2Cl)n1-c1ccc(OCc2ccccc2)cc1 ZINC000001030759 551598092 /nfs/dbraw/zinc/59/80/92/551598092.db2.gz VKNAOFRLZGKYIR-UHFFFAOYSA-N -1 1 536.462 5.012 50 0 KKAAMM O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000001044968 551599157 /nfs/dbraw/zinc/59/91/57/551599157.db2.gz XIIXFQPXMYZRAC-GIDUJCDVSA-N -1 1 505.543 5.033 50 0 KKAAMM COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322472 551642017 /nfs/dbraw/zinc/64/20/17/551642017.db2.gz XNFZURLQAHSJKJ-PLTNMMHCSA-N -1 1 556.615 6.127 50 0 KKAAMM Cc1ccc(NC(=O)c2nc[n-]c2N=c2scc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000001414215 551666377 /nfs/dbraw/zinc/66/63/77/551666377.db2.gz LSGGYNGDHJXAKH-ZXPTYKNPSA-N -1 1 530.451 6.485 50 0 KKAAMM Cc1ccc(NC(=O)c2[n-]cnc2N=c2scc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 ZINC000001414215 551666380 /nfs/dbraw/zinc/66/63/80/551666380.db2.gz LSGGYNGDHJXAKH-ZXPTYKNPSA-N -1 1 530.451 6.485 50 0 KKAAMM Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001508428 551683210 /nfs/dbraw/zinc/68/32/10/551683210.db2.gz SCNLXNAZSCRNNQ-UHFFFAOYSA-N -1 1 524.234 5.573 50 0 KKAAMM Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001512833 551683472 /nfs/dbraw/zinc/68/34/72/551683472.db2.gz INQPVUMDNLKHGH-UHFFFAOYSA-N -1 1 560.289 5.122 50 0 KKAAMM COc1cc(C2SCCS2)cc(Br)c1OC(=O)[N-]C(=O)c1c(Cl)cccc1Cl ZINC000002147778 551776521 /nfs/dbraw/zinc/77/65/21/551776521.db2.gz XOZOIOIROIMMHE-UHFFFAOYSA-N -1 1 523.257 6.172 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCCCOc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002171774 551782248 /nfs/dbraw/zinc/78/22/48/551782248.db2.gz KZNSHWZXHMACCL-UHFFFAOYSA-N -1 1 566.701 5.753 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000002214870 551794886 /nfs/dbraw/zinc/79/48/86/551794886.db2.gz VIDQOZBQEDRWEM-UHFFFAOYSA-N -1 1 536.337 7.012 50 0 KKAAMM Nc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000002325033 552094926 /nfs/dbraw/zinc/09/49/26/552094926.db2.gz SDLOPKJXOKAMFD-UHFFFAOYSA-N -1 1 506.311 7.003 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)cc3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002337819 552097322 /nfs/dbraw/zinc/09/73/22/552097322.db2.gz XNUNMZPBBPRABY-UHFFFAOYSA-N -1 1 501.892 6.358 50 0 KKAAMM Nc1nc(-c2ccc(OCc3ccccc3Cl)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000002358708 552101758 /nfs/dbraw/zinc/10/17/58/552101758.db2.gz IIJGNQBTRSNRAS-UHFFFAOYSA-N -1 1 506.311 7.003 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])ncnc1C(F)(F)F ZINC000002358505 552101839 /nfs/dbraw/zinc/10/18/39/552101839.db2.gz CUOUXOYRUJJITR-UHFFFAOYSA-N -1 1 521.322 7.429 50 0 KKAAMM O=C(Nc1ccc(Br)cc1Br)c1cc(Br)cc(Cc2ccccc2)c1[O-] ZINC000002506197 552124975 /nfs/dbraw/zinc/12/49/75/552124975.db2.gz TTXTXDIQMHIZPN-UHFFFAOYSA-N -1 1 540.049 6.523 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1Cl ZINC000002659881 552150293 /nfs/dbraw/zinc/15/02/93/552150293.db2.gz UNXFTEDERYWTOI-LJQANCHMSA-N -1 1 599.492 7.079 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cn2cc(Cl)cn2)c1 ZINC000002754168 552177116 /nfs/dbraw/zinc/17/71/16/552177116.db2.gz SZEQFVZQEKWZQW-UHFFFAOYSA-N -1 1 535.840 5.945 50 0 KKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000002879903 552208540 /nfs/dbraw/zinc/20/85/40/552208540.db2.gz NBLRBAAUKAQSMU-UHFFFAOYSA-N -1 1 505.459 5.430 50 0 KKAAMM COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc21 ZINC000002954450 552230187 /nfs/dbraw/zinc/23/01/87/552230187.db2.gz AAGUEJZXHYOVME-UHFFFAOYSA-N -1 1 518.385 5.261 50 0 KKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3ccc(F)cc3Cl)[n-]c(=O)c2sc1=S ZINC000003043153 552274149 /nfs/dbraw/zinc/27/41/49/552274149.db2.gz PAUYHDLDIBBAGP-UHFFFAOYSA-N -1 1 500.429 6.252 50 0 KKAAMM O=C(Nc1cc(C(=O)c2ccc(O)c(NC(=O)c3cccc4ccccc43)c2)ccc1[O-])c1cccc2ccccc21 ZINC000003142715 552294826 /nfs/dbraw/zinc/29/48/26/552294826.db2.gz OTADGXGGNIAKDM-UHFFFAOYSA-N -1 1 552.586 7.140 50 0 KKAAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 ZINC000003167435 552298296 /nfs/dbraw/zinc/29/82/96/552298296.db2.gz IEPJGPFTXRDLDH-UHFFFAOYSA-N -1 1 504.408 5.059 50 0 KKAAMM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000003191879 552302384 /nfs/dbraw/zinc/30/23/84/552302384.db2.gz QXANVRVNDJHVPF-JOCHJYFZSA-N -1 1 501.535 5.412 50 0 KKAAMM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000003191879 552302385 /nfs/dbraw/zinc/30/23/85/552302385.db2.gz QXANVRVNDJHVPF-JOCHJYFZSA-N -1 1 501.535 5.412 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000003217866 552308418 /nfs/dbraw/zinc/30/84/18/552308418.db2.gz ZWWVFMQRZBSYAF-UHFFFAOYSA-N -1 1 541.954 5.261 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2oc1-c1ccccc1 ZINC000003219042 552308985 /nfs/dbraw/zinc/30/89/85/552308985.db2.gz GKSIYRAOFOBFOV-UHFFFAOYSA-N -1 1 500.370 5.840 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000003265134 552328085 /nfs/dbraw/zinc/32/80/85/552328085.db2.gz HDMBDHSAIMOVGG-UHFFFAOYSA-N -1 1 513.018 7.273 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)ccc21 ZINC000003282451 552336403 /nfs/dbraw/zinc/33/64/03/552336403.db2.gz WWTPSNFVRUSALA-UHFFFAOYSA-N -1 1 585.638 5.182 50 0 KKAAMM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc12 ZINC000003306085 552348963 /nfs/dbraw/zinc/34/89/63/552348963.db2.gz JUUXSWNTUMKWIW-UHFFFAOYSA-N -1 1 557.484 6.755 50 0 KKAAMM CCc1c(C)sc2nc(-c3ccc(C(=O)OCC(=O)N(Cc4ccccc4)C(C)C)cc3)[n-]c(=O)c12 ZINC000003343704 552364109 /nfs/dbraw/zinc/36/41/09/552364109.db2.gz PXOVMMZPITVJGD-UHFFFAOYSA-N -1 1 503.624 5.116 50 0 KKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000003368585 552374630 /nfs/dbraw/zinc/37/46/30/552374630.db2.gz MDYVTEGYLPOSJF-UHFFFAOYSA-N -1 1 513.615 6.977 50 0 KKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc21 ZINC000003368612 552374700 /nfs/dbraw/zinc/37/47/00/552374700.db2.gz OSQAMMOHJTYDJH-UHFFFAOYSA-N -1 1 507.652 7.340 50 0 KKAAMM CCOC(=O)c1sc2nc([C@H](C)OC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3Cl)[nH]c(=O)c2c1C ZINC000003376236 552376545 /nfs/dbraw/zinc/37/65/45/552376545.db2.gz UAOPUCJTDOCQNB-HNNXBMFYSA-N -1 1 590.079 5.150 50 0 KKAAMM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000003515734 552390662 /nfs/dbraw/zinc/39/06/62/552390662.db2.gz ANXFRYMXXXWERK-LJQANCHMSA-N -1 1 582.103 5.533 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2cc1OC ZINC000003626414 552395611 /nfs/dbraw/zinc/39/56/11/552395611.db2.gz TXZXNTAYSDTMEJ-UHFFFAOYSA-N -1 1 562.566 5.680 50 0 KKAAMM CCCc1cc(=O)[n-]c(S[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003867033 552420868 /nfs/dbraw/zinc/42/08/68/552420868.db2.gz UJQGKBVZXUVASG-BJKOFHAPSA-N -1 1 512.056 5.396 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2OCCOCCOc2ccc(C(C)(C)C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003991726 552424816 /nfs/dbraw/zinc/42/48/16/552424816.db2.gz LMIAYXBSNYSSQC-UHFFFAOYSA-N -1 1 708.943 7.974 50 0 KKAAMM COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)oc1ccccc12 ZINC000004641551 552470434 /nfs/dbraw/zinc/47/04/34/552470434.db2.gz BFXHDHHFCCDRAD-SFHVURJKSA-N -1 1 544.585 5.579 50 0 KKAAMM CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000004662733 552471368 /nfs/dbraw/zinc/47/13/68/552471368.db2.gz NLZALTRHYAUBFQ-UHFFFAOYSA-N -1 1 583.685 5.768 50 0 KKAAMM CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)C2=O)cc1 ZINC000005949114 552516075 /nfs/dbraw/zinc/51/60/75/552516075.db2.gz DBQNJKMYPIVQSS-TURZUDJPSA-N -1 1 574.058 6.180 50 0 KKAAMM CCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006023834 552520695 /nfs/dbraw/zinc/52/06/95/552520695.db2.gz GEYVIIGMLFFMCJ-UHFFFAOYSA-N -1 1 555.542 7.100 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 ZINC000006143011 552544497 /nfs/dbraw/zinc/54/44/97/552544497.db2.gz SKMHECXJWYIZED-QGZVFWFLSA-N -1 1 549.476 6.321 50 0 KKAAMM C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000006144205 552545868 /nfs/dbraw/zinc/54/58/68/552545868.db2.gz DXYAKFHZKYZIOF-ZIAGYGMSSA-N -1 1 592.526 6.135 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c1)C[C@@H](C)CC2 ZINC000006144320 552546185 /nfs/dbraw/zinc/54/61/85/552546185.db2.gz APTZASYINLIBFO-OALUTQOASA-N -1 1 584.716 5.343 50 0 KKAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006144572 552547005 /nfs/dbraw/zinc/54/70/05/552547005.db2.gz VXWQRBBFGXLLFX-LJQANCHMSA-N -1 1 566.582 5.529 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000006235159 552571998 /nfs/dbraw/zinc/57/19/98/552571998.db2.gz FCMLXDNJWFAJCG-SZPZYZBQSA-N -1 1 505.684 6.093 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1c(F)cccc1F ZINC000008386311 552992034 /nfs/dbraw/zinc/99/20/34/552992034.db2.gz QXZPHHPVBYCLOK-JOCHJYFZSA-N -1 1 604.268 8.049 50 0 KKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 ZINC000008397784 552997860 /nfs/dbraw/zinc/99/78/60/552997860.db2.gz HHYZZKXVLINSFV-UHFFFAOYSA-N -1 1 586.692 7.244 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3N=C(c4c(=O)[nH]c5ccc(Br)cc5c4-c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000008398780 552999622 /nfs/dbraw/zinc/99/96/22/552999622.db2.gz OEHKAXDGMXMPEQ-UMSFTDKQSA-N -1 1 717.645 8.058 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(N4N=C(c5ccc(F)cc5)C[C@@H]4c4ccc(C(C)C)cc4)n3)cc2)cc1 ZINC000008405259 553007006 /nfs/dbraw/zinc/00/70/06/553007006.db2.gz ZZROTSXPSPHPFI-MGBGTMOVSA-N -1 1 610.780 8.538 50 0 KKAAMM O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(=O)c2c(Cl)cc(Cl)cc2[n-]1 ZINC000008662738 553108922 /nfs/dbraw/zinc/10/89/22/553108922.db2.gz VSSZEKJMSVISQQ-UHFFFAOYSA-N -1 1 527.374 5.208 50 0 KKAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1 ZINC000008686822 553115893 /nfs/dbraw/zinc/11/58/93/553115893.db2.gz AIXCLGQVXMIORW-UHFFFAOYSA-N -1 1 552.609 5.302 50 0 KKAAMM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000008693899 553118810 /nfs/dbraw/zinc/11/88/10/553118810.db2.gz XGIODUFWIZKLHP-NRFANRHFSA-N -1 1 530.433 5.869 50 0 KKAAMM CCC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Br)cc4)c4ccccc34)c2C1 ZINC000008974123 553195733 /nfs/dbraw/zinc/19/57/33/553195733.db2.gz JBUXYAMKLAUPDI-KRWDZBQOSA-N -1 1 526.496 7.690 50 0 KKAAMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)C1 ZINC000009367549 553249393 /nfs/dbraw/zinc/24/93/93/553249393.db2.gz MFMVCMIRDQEBNH-ROUUACIJSA-N -1 1 521.664 5.588 50 0 KKAAMM COc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)s2)cc1 ZINC000009368333 553249589 /nfs/dbraw/zinc/24/95/89/553249589.db2.gz PAWVBKVTJYBIEB-UHFFFAOYSA-N -1 1 516.004 5.147 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000009432156 553261343 /nfs/dbraw/zinc/26/13/43/553261343.db2.gz FSGMRYCZFQJSBK-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432189 553261646 /nfs/dbraw/zinc/26/16/46/553261646.db2.gz MBRKDKZRVJJSIC-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432242 553261879 /nfs/dbraw/zinc/26/18/79/553261879.db2.gz AYVSUAMNGBHYJI-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009432245 553261962 /nfs/dbraw/zinc/26/19/62/553261962.db2.gz UJJIFHBNIVCKAX-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000009432210 553261974 /nfs/dbraw/zinc/26/19/74/553261974.db2.gz VGCWLYRJLYVDIN-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009432247 553262161 /nfs/dbraw/zinc/26/21/61/553262161.db2.gz UJJIFHBNIVCKAX-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000009432272 553262211 /nfs/dbraw/zinc/26/22/11/553262211.db2.gz CEABVFOEOKXODR-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432281 553262320 /nfs/dbraw/zinc/26/23/20/553262320.db2.gz YSSRFQWHBWHQNR-DQEYMECFSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432287 553262384 /nfs/dbraw/zinc/26/23/84/553262384.db2.gz UVROHKZUUBWYOY-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)CC1 ZINC000009445299 553265019 /nfs/dbraw/zinc/26/50/19/553265019.db2.gz DGLMECFCAQHYSO-UHFFFAOYSA-N -1 1 507.637 5.342 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)cc1 ZINC000009597255 553283519 /nfs/dbraw/zinc/28/35/19/553283519.db2.gz VJAPDTLSTWSHGJ-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009597375 553283754 /nfs/dbraw/zinc/28/37/54/553283754.db2.gz DSZXWLFSRIZUAJ-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM CCOc1ccccc1NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112522 553351439 /nfs/dbraw/zinc/35/14/39/553351439.db2.gz SOOSWUVJYCEWCL-UHFFFAOYSA-N -1 1 507.637 5.347 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]2)cc1 ZINC000012112503 553351472 /nfs/dbraw/zinc/35/14/72/553351472.db2.gz IXGVNWIAYNDCFM-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1ccccc1Br ZINC000012491492 553380889 /nfs/dbraw/zinc/38/08/89/553380889.db2.gz DJSDCOHGLNCWEC-UHFFFAOYSA-N -1 1 500.201 5.809 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000012563562 553395757 /nfs/dbraw/zinc/39/57/57/553395757.db2.gz RATJGKSYGWICIR-UHFFFAOYSA-N -1 1 521.441 6.028 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)C3CCCCC3)c2)cc1Br ZINC000012650789 553409570 /nfs/dbraw/zinc/40/95/70/553409570.db2.gz BNJBTKCYRJPPNF-UHFFFAOYSA-N -1 1 501.830 5.431 50 0 KKAAMM Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013130138 553451193 /nfs/dbraw/zinc/45/11/93/553451193.db2.gz KWETVHRIRFOJPM-UHFFFAOYSA-N -1 1 509.809 5.229 50 0 KKAAMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013748055 553487565 /nfs/dbraw/zinc/48/75/65/553487565.db2.gz QXSZVQWJAORQKV-UCQKPKSFSA-N -1 1 504.036 7.101 50 0 KKAAMM Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1Cl ZINC000013937390 553495983 /nfs/dbraw/zinc/49/59/83/553495983.db2.gz PUWJGKYQUIVEQX-UHFFFAOYSA-N -1 1 500.860 6.565 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000015838077 553537620 /nfs/dbraw/zinc/53/76/20/553537620.db2.gz OJVHKDPTUIGMNA-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000020134597 553592971 /nfs/dbraw/zinc/59/29/71/553592971.db2.gz UYBBNNSNAGZWNZ-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000071386380 553635719 /nfs/dbraw/zinc/63/57/19/553635719.db2.gz LWPKGIYLGRFYTK-UHFFFAOYSA-N -1 1 536.337 7.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490618 553661175 /nfs/dbraw/zinc/66/11/75/553661175.db2.gz YBXCZETZKRUQLK-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490596 553661210 /nfs/dbraw/zinc/66/12/10/553661210.db2.gz JWFIYBHWKDMLJS-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490660 553661455 /nfs/dbraw/zinc/66/14/55/553661455.db2.gz QLGBZFPCVVDHDX-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490684 553661471 /nfs/dbraw/zinc/66/14/71/553661471.db2.gz JPCYLEYOLHUXDK-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490733 553662077 /nfs/dbraw/zinc/66/20/77/553662077.db2.gz LSHIPAVOHBIASB-JWQCQUIFSA-N -1 1 518.589 5.760 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020490817 553662376 /nfs/dbraw/zinc/66/23/76/553662376.db2.gz SEPSGLHSFPZEHY-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490893 553662752 /nfs/dbraw/zinc/66/27/52/553662752.db2.gz JMMMNCCXCNTVFD-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490883 553662804 /nfs/dbraw/zinc/66/28/04/553662804.db2.gz VRFQNEOTZLZMDN-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490873 553662915 /nfs/dbraw/zinc/66/29/15/553662915.db2.gz VULILGZLUPSZMA-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490956 553663360 /nfs/dbraw/zinc/66/33/60/553663360.db2.gz SLMAMSLHSSUSTE-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020491002 553663545 /nfs/dbraw/zinc/66/35/45/553663545.db2.gz CPCVBPZVICWZLZ-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491008 553663556 /nfs/dbraw/zinc/66/35/56/553663556.db2.gz YBFNYKWBWBMTPN-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020491122 553664100 /nfs/dbraw/zinc/66/41/00/553664100.db2.gz ZUJCNGGHVVHLTL-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491230 553664725 /nfs/dbraw/zinc/66/47/25/553664725.db2.gz INLNTDZCGZSFMV-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491272 553664797 /nfs/dbraw/zinc/66/47/97/553664797.db2.gz AIOLWGDDVBJHAS-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020491394 553665093 /nfs/dbraw/zinc/66/50/93/553665093.db2.gz NDCYAVFIWPMLDO-UIOOFZCWSA-N -1 1 512.635 5.572 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491330 553665122 /nfs/dbraw/zinc/66/51/22/553665122.db2.gz CGYCADBPENOALF-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491346 553665259 /nfs/dbraw/zinc/66/52/59/553665259.db2.gz FMRYOJNSRJFZRC-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)Nc4ccccc4C)cc3c2c1 ZINC000020032863 553666610 /nfs/dbraw/zinc/66/66/10/553666610.db2.gz YQELVURYCXZBBG-UHFFFAOYSA-N -1 1 506.605 5.804 50 0 KKAAMM CCOC(=O)c1c(/N=c2/oc3cc([O-])ccc3cc2C(=O)Nc2ccc(OC)cc2)sc2c1CCCC2 ZINC000083308191 553676697 /nfs/dbraw/zinc/67/66/97/553676697.db2.gz FKDXCUBJKKJXQR-URGPHPNLSA-N -1 1 518.591 5.749 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000085875752 553688526 /nfs/dbraw/zinc/68/85/26/553688526.db2.gz LWLYSAGYEQZDQQ-MRXNPFEDSA-N -1 1 516.889 5.375 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000085875749 553688579 /nfs/dbraw/zinc/68/85/79/553688579.db2.gz LWLYSAGYEQZDQQ-INIZCTEOSA-N -1 1 516.889 5.375 50 0 biogenic KKAAMM CSc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000020849970 553699351 /nfs/dbraw/zinc/69/93/51/553699351.db2.gz ZDSWVBOHRMYAMF-DQEYMECFSA-N -1 1 514.676 5.895 50 0 KKAAMM CSc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000020849967 553699391 /nfs/dbraw/zinc/69/93/91/553699391.db2.gz ZDSWVBOHRMYAMF-JWQCQUIFSA-N -1 1 514.676 5.895 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020903629 553701499 /nfs/dbraw/zinc/70/14/99/553701499.db2.gz OLFOAYFMZKDEGJ-LADGPHEKSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903602 553701508 /nfs/dbraw/zinc/70/15/08/553701508.db2.gz ILKNOVDXFYCUSC-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903576 553701523 /nfs/dbraw/zinc/70/15/23/553701523.db2.gz JQJLCIYTJJYTDV-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903569 553701608 /nfs/dbraw/zinc/70/16/08/553701608.db2.gz FWBOECHMLJFCPK-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000020903690 553701884 /nfs/dbraw/zinc/70/18/84/553701884.db2.gz DHKXZEYAHNJODV-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903987 553703250 /nfs/dbraw/zinc/70/32/50/553703250.db2.gz MGEBLRLXNNWZFO-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903982 553703307 /nfs/dbraw/zinc/70/33/07/553703307.db2.gz BIWPETDRZUVURN-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)c1 ZINC000020904105 553703634 /nfs/dbraw/zinc/70/36/34/553703634.db2.gz URRGQFPBEXVIME-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Cl)cc1)CC2)Nc1cccc(C(F)(F)F)c1 ZINC000021526168 553710385 /nfs/dbraw/zinc/71/03/85/553710385.db2.gz AGYKLQVURGBCCH-UHFFFAOYSA-N -1 1 508.953 5.144 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1Cc1ccccc1 ZINC000096275167 553732017 /nfs/dbraw/zinc/73/20/17/553732017.db2.gz PIDHQJRHHKRQBA-UHFFFAOYSA-N -1 1 517.695 6.174 50 0 KKAAMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1n[nH]c2ccccc21 ZINC000024682720 553791366 /nfs/dbraw/zinc/79/13/66/553791366.db2.gz SPHLNOJJFFJPKT-UHFFFAOYSA-N -1 1 510.019 5.260 50 0 KKAAMM CCOC(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C(=O)OCC)c1C ZINC000097948579 553794979 /nfs/dbraw/zinc/79/49/79/553794979.db2.gz XXWHTHRDSNVRNT-UHFFFAOYSA-N -1 1 582.125 5.673 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951581 553809970 /nfs/dbraw/zinc/80/99/70/553809970.db2.gz PTFOVOBVFXEMIF-DBXWQHBBSA-N -1 1 533.717 6.011 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CN1CCN(c2ccccc2C)CC1 ZINC000097951896 553812024 /nfs/dbraw/zinc/81/20/24/553812024.db2.gz ODRJWPJMZOJLPV-UHFFFAOYSA-N -1 1 548.481 5.906 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000029748844 553850036 /nfs/dbraw/zinc/85/00/36/553850036.db2.gz GFPVMFNJPNGMHA-FGZHOGPDSA-N -1 1 581.735 5.286 50 0 KKAAMM COC(=O)c1c(C)c(C)sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000097960037 553868000 /nfs/dbraw/zinc/86/80/00/553868000.db2.gz SAQWMCFERSFUGO-UHFFFAOYSA-N -1 1 544.507 6.068 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1)c1ccc(Cl)cc1 ZINC000032974746 553883729 /nfs/dbraw/zinc/88/37/29/553883729.db2.gz ANUXXVIJUJGQMN-UHFFFAOYSA-N -1 1 509.950 5.242 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1cccc(F)c1 ZINC000033254931 553914148 /nfs/dbraw/zinc/91/41/48/553914148.db2.gz OPWDFXGIIYAQHZ-UHFFFAOYSA-N -1 1 509.950 5.242 50 0 KKAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(Cl)cc5)cc4)cn3)n2)cc1 ZINC000033254922 553914253 /nfs/dbraw/zinc/91/42/53/553914253.db2.gz MMYHSSCWLMJEMQ-UHFFFAOYSA-N -1 1 505.987 5.411 50 0 KKAAMM O=C1CCCc2c1c1cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc1n2S(=O)(=O)c1ccc(Br)cc1 ZINC000033355464 553934990 /nfs/dbraw/zinc/93/49/90/553934990.db2.gz RTHUUVZTOXJOFA-UHFFFAOYSA-N -1 1 638.359 5.723 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000033355494 553935028 /nfs/dbraw/zinc/93/50/28/553935028.db2.gz CZKTYPOIXMVYQB-OPYAIIAOSA-N -1 1 543.723 5.466 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000033357640 553949732 /nfs/dbraw/zinc/94/97/32/553949732.db2.gz YVYRRNWMJXMDSZ-GOTSBHOMSA-N -1 1 551.441 5.766 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(CC)cc3)nc2[O-])cc1 ZINC000033357691 553950440 /nfs/dbraw/zinc/95/04/40/553950440.db2.gz RXLTZJWIMYHFFZ-SXOMAYOGSA-N -1 1 554.672 5.604 50 0 KKAAMM O=C(NCCSCc1ccccc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033358120 553953152 /nfs/dbraw/zinc/95/31/52/553953152.db2.gz HEBSGLPKXDALTO-RSXGOPAZSA-N -1 1 693.689 5.699 50 0 KKAAMM O=C(Nc1ccc(Cl)c(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)c1ccc2ccccc2c1[O-] ZINC000033358521 553956245 /nfs/dbraw/zinc/95/62/45/553956245.db2.gz HUJWCIICJPIFAF-UDPYREPESA-N -1 1 571.032 6.848 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000097978630 553975208 /nfs/dbraw/zinc/97/52/08/553975208.db2.gz XCHXBXKBTKKHFD-IZZNHLLZSA-N -1 1 528.703 6.149 50 0 KKAAMM O=C1[N-]C(=S)SC1=Cc1ccc(OCCOc2ccc(C=C3SC(=S)NC3=O)cc2)cc1 ZINC000033910008 553976352 /nfs/dbraw/zinc/97/63/52/553976352.db2.gz SUQOFZJPHXIHRH-MJZABRMRSA-N -1 1 500.648 5.803 50 0 KKAAMM O=C(NC(=S)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1Cl ZINC000097982340 554001207 /nfs/dbraw/zinc/00/12/07/554001207.db2.gz ABPHXYYGQZXERB-UHFFFAOYSA-N -1 1 583.057 5.887 50 0 KKAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000097982333 554001248 /nfs/dbraw/zinc/00/12/48/554001248.db2.gz ZAUNJQLGGPBQHC-UHFFFAOYSA-N -1 1 596.917 6.889 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000097983658 554010700 /nfs/dbraw/zinc/01/07/00/554010700.db2.gz ISBJJXUCRQKDAR-UHFFFAOYSA-N -1 1 564.507 7.444 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097984236 554015007 /nfs/dbraw/zinc/01/50/07/554015007.db2.gz FEIUURSBSRXRLE-AGVAKAMISA-N -1 1 670.143 7.035 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1 ZINC000097999347 554042353 /nfs/dbraw/zinc/04/23/53/554042353.db2.gz RRQBHXIXILXMSR-UHFFFAOYSA-N -1 1 525.574 5.062 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035912474 554095969 /nfs/dbraw/zinc/09/59/69/554095969.db2.gz SHDMABHLVWRRIR-AREMUKBSSA-N -1 1 510.681 5.962 50 0 KKAAMM COc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000098021322 554118202 /nfs/dbraw/zinc/11/82/02/554118202.db2.gz MJHKEJQZQUAICC-QFIPXVFZSA-N -1 1 519.442 5.037 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000100040354 554191853 /nfs/dbraw/zinc/19/18/53/554191853.db2.gz STJMUQLACPMZOQ-UHFFFAOYSA-N -1 1 577.084 7.499 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000040485273 554286940 /nfs/dbraw/zinc/28/69/40/554286940.db2.gz ZWZYRSZVZBEQLB-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000040484970 554286991 /nfs/dbraw/zinc/28/69/91/554286991.db2.gz KCKXPHAUOKMGQA-UIOOFZCWSA-N -1 1 514.626 5.874 50 0 KKAAMM CCOc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(Cl)cc2)cc1 ZINC000041097612 554294820 /nfs/dbraw/zinc/29/48/20/554294820.db2.gz AVCJKFWWMPDTFI-UHFFFAOYSA-N -1 1 500.938 6.932 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100426086 554387676 /nfs/dbraw/zinc/38/76/76/554387676.db2.gz OFIJUARJFSFIDT-SLGOVJDISA-N -1 1 538.600 6.197 50 0 KKAAMM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3Cl)C2)cc1 ZINC000100429344 554390325 /nfs/dbraw/zinc/39/03/25/554390325.db2.gz WYVYRIZXXCHNNX-WRGVRERRSA-N -1 1 515.009 7.063 50 0 KKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)c1 ZINC000059522029 554403411 /nfs/dbraw/zinc/40/34/11/554403411.db2.gz ZWUMKNGKSKBFEZ-HKBQPEDESA-N -1 1 571.724 6.131 50 0 KKAAMM O=C(NCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059524185 554405314 /nfs/dbraw/zinc/40/53/14/554405314.db2.gz GQTSPACPQSZYSW-GGAORHGYSA-N -1 1 623.562 5.510 50 0 KKAAMM COc1c(Cl)cc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100554783 554415999 /nfs/dbraw/zinc/41/59/99/554415999.db2.gz PNRXXEVOLJPIHF-ZEQRLZLVSA-N -1 1 535.431 6.163 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000059646945 554417470 /nfs/dbraw/zinc/41/74/70/554417470.db2.gz XIWGKVGLKDUQKI-UHFFFAOYSA-N -1 1 542.604 7.051 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000100617216 554433018 /nfs/dbraw/zinc/43/30/18/554433018.db2.gz JTFJEQHGRYLERN-UHFFFAOYSA-N -1 1 612.730 7.783 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl ZINC000100705584 554452785 /nfs/dbraw/zinc/45/27/85/554452785.db2.gz FDHCXSKDFCEKTC-UHFFFAOYSA-N -1 1 505.405 6.573 50 0 KKAAMM COc1ccc(OC)c(NC(=O)C([O-])=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)c1 ZINC000100721932 554455970 /nfs/dbraw/zinc/45/59/70/554455970.db2.gz JRSCQQPMXVXDJV-UHFFFAOYSA-N -1 1 566.639 5.769 50 0 KKAAMM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000101082854 554579473 /nfs/dbraw/zinc/57/94/73/554579473.db2.gz MUXNRAFNDCBYAG-UHFFFAOYSA-N -1 1 614.569 6.105 50 0 KKAAMM O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000101093041 554583277 /nfs/dbraw/zinc/58/32/77/554583277.db2.gz WEOXQOFJGWZODR-VWLOTQADSA-N -1 1 531.410 5.558 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5ccc(OC(C)C)c(OC)c5)no4)c(C)c3c2)cc1 ZINC000101276044 554702882 /nfs/dbraw/zinc/70/28/82/554702882.db2.gz JIWZDHOSMINHLI-UHFFFAOYSA-N -1 1 549.605 6.063 50 0 KKAAMM Cc1c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2oc1-c1nc(-c2cccc(Br)c2)no1 ZINC000101277514 554703938 /nfs/dbraw/zinc/70/39/38/554703938.db2.gz VNVSSSMIVQMBJM-UHFFFAOYSA-N -1 1 524.396 6.330 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000101289956 554707378 /nfs/dbraw/zinc/70/73/78/554707378.db2.gz BFLVVILVZAIFCP-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101290299 554707776 /nfs/dbraw/zinc/70/77/76/554707776.db2.gz YPCBDRVGXHKODS-IZZNHLLZSA-N -1 1 563.079 5.925 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1F ZINC000101291665 554708705 /nfs/dbraw/zinc/70/87/05/554708705.db2.gz MIIOEIUEMQKQSP-BJKOFHAPSA-N -1 1 539.007 6.105 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101292491 554709164 /nfs/dbraw/zinc/70/91/64/554709164.db2.gz SNUQSTWNFNVEIA-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000101292497 554709196 /nfs/dbraw/zinc/70/91/96/554709196.db2.gz SNUQSTWNFNVEIA-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101294177 554710557 /nfs/dbraw/zinc/71/05/57/554710557.db2.gz YLHYPNWUGFATRM-DNQXCXABSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101294218 554710915 /nfs/dbraw/zinc/71/09/15/554710915.db2.gz WSVPDDWHYMXBEP-ZEQRLZLVSA-N -1 1 555.006 5.805 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101294266 554711126 /nfs/dbraw/zinc/71/11/26/554711126.db2.gz PHDUETBORYNFOJ-FTJBHMTQSA-N -1 1 563.079 5.925 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000101294716 554711531 /nfs/dbraw/zinc/71/15/31/554711531.db2.gz LTPDFAAPIOOMGI-FTJBHMTQSA-N -1 1 544.702 5.903 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 ZINC000101295322 554711929 /nfs/dbraw/zinc/71/19/29/554711929.db2.gz GTGJCSJAAWYZBU-AZGAKELHSA-N -1 1 547.080 6.089 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101295436 554711933 /nfs/dbraw/zinc/71/19/33/554711933.db2.gz BGIWRPRSZRIGDV-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000101295403 554711972 /nfs/dbraw/zinc/71/19/72/554711972.db2.gz VQUOJSBYKPCSNN-AHWVRZQESA-N -1 1 528.634 5.190 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101295389 554712068 /nfs/dbraw/zinc/71/20/68/554712068.db2.gz GGTFMWKOCGVXAN-CLJLJLNGSA-N -1 1 540.645 5.350 50 0 KKAAMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000101352286 554738482 /nfs/dbraw/zinc/73/84/82/554738482.db2.gz MUEAQUBNDAZJES-UHFFFAOYSA-N -1 1 583.654 5.308 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101390140 554754134 /nfs/dbraw/zinc/75/41/34/554754134.db2.gz OTSICEDAJMDGMI-HMILPKGGSA-N -1 1 530.602 5.950 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3OC)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000101667179 554822827 /nfs/dbraw/zinc/82/28/27/554822827.db2.gz YPBSJAVINRRZLS-UHFFFAOYSA-N -1 1 620.650 5.041 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969466 554855058 /nfs/dbraw/zinc/85/50/58/554855058.db2.gz BNMGNNMWEYNDHQ-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969405 554855068 /nfs/dbraw/zinc/85/50/68/554855068.db2.gz HDVWWAGAIOXZIR-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969472 554855084 /nfs/dbraw/zinc/85/50/84/554855084.db2.gz MCCMHWJIUNUHHY-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969627 554855334 /nfs/dbraw/zinc/85/53/34/554855334.db2.gz DYZFYUWULPZQHX-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969600 554855345 /nfs/dbraw/zinc/85/53/45/554855345.db2.gz RQFARRUFUCJHBJ-NOZRDPDXSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969870 554855973 /nfs/dbraw/zinc/85/59/73/554855973.db2.gz LENJIMNNGGNCAF-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969981 554856111 /nfs/dbraw/zinc/85/61/11/554856111.db2.gz SAEQXDNGNCNBBQ-SVBPBHIXSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101970024 554856472 /nfs/dbraw/zinc/85/64/72/554856472.db2.gz DQNIRWDQVVDXFW-AHWVRZQESA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970126 554856483 /nfs/dbraw/zinc/85/64/83/554856483.db2.gz BEMALAIIJYNXAI-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970179 554856599 /nfs/dbraw/zinc/85/65/99/554856599.db2.gz XQTIVIIRMYMTQX-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101970200 554856811 /nfs/dbraw/zinc/85/68/11/554856811.db2.gz TVRCJLOOMDUYMD-ISKFKSNPSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970237 554856821 /nfs/dbraw/zinc/85/68/21/554856821.db2.gz VAJWDAYRXLRPPL-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970434 554857387 /nfs/dbraw/zinc/85/73/87/554857387.db2.gz XMRFMBMHUIXGCS-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101970605 554857715 /nfs/dbraw/zinc/85/77/15/554857715.db2.gz CERRIMQBTNOZEG-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000101970739 554858005 /nfs/dbraw/zinc/85/80/05/554858005.db2.gz JFHLJJGBSNPWMI-LADGPHEKSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970858 554858277 /nfs/dbraw/zinc/85/82/77/554858277.db2.gz VGUMZMJKPKWGDG-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3cccc(F)c3)C2)c1 ZINC000101971026 554858607 /nfs/dbraw/zinc/85/86/07/554858607.db2.gz IMNJQXNXSFMACN-AZGAKELHSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000101970985 554858650 /nfs/dbraw/zinc/85/86/50/554858650.db2.gz AONUDCBAFBPMDW-ZCYQVOJMSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc(OC)c1 ZINC000101971391 554859141 /nfs/dbraw/zinc/85/91/41/554859141.db2.gz JHZLBCRCRULECL-CLJLJLNGSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101971469 554859215 /nfs/dbraw/zinc/85/92/15/554859215.db2.gz SJHNQVJVEUYNMI-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971490 554859255 /nfs/dbraw/zinc/85/92/55/554859255.db2.gz ZTEJRTNBLKJYBB-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972059 554859843 /nfs/dbraw/zinc/85/98/43/554859843.db2.gz VOUDDNJPKMXAMR-OZXSUGGESA-N -1 1 526.618 5.156 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101972126 554860046 /nfs/dbraw/zinc/86/00/46/554860046.db2.gz NBLVUHBTXJKVQZ-CLJLJLNGSA-N -1 1 531.081 6.389 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101972230 554860059 /nfs/dbraw/zinc/86/00/59/554860059.db2.gz LORQVQLZWUFAEN-IZZNHLLZSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972326 554860287 /nfs/dbraw/zinc/86/02/87/554860287.db2.gz CHOQWVILCDAQMJ-KAYWLYCHSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972420 554860363 /nfs/dbraw/zinc/86/03/63/554860363.db2.gz KQJYWWKMNQCTHH-RPBOFIJWSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972457 554860648 /nfs/dbraw/zinc/86/06/48/554860648.db2.gz UFWDDRBVNKJMGK-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101972667 554861071 /nfs/dbraw/zinc/86/10/71/554861071.db2.gz MAJOGCJQXBKICW-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101972920 554861177 /nfs/dbraw/zinc/86/11/77/554861177.db2.gz OOFDGLONQKMQMH-UIOOFZCWSA-N -1 1 530.625 5.711 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972885 554861401 /nfs/dbraw/zinc/86/14/01/554861401.db2.gz JECXYYWWAGTLLY-RCZVLFRGSA-N -1 1 530.581 5.041 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000101973114 554861709 /nfs/dbraw/zinc/86/17/09/554861709.db2.gz UDEGBRZOSDWXSA-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)c1 ZINC000101973191 554861932 /nfs/dbraw/zinc/86/19/32/554861932.db2.gz BQVAQLXYBQXKFE-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc(C)c2)nc1[O-] ZINC000101973295 554861950 /nfs/dbraw/zinc/86/19/50/554861950.db2.gz CHCHUPPQHKUGGD-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc(C)c2)nc1[O-] ZINC000101973292 554861983 /nfs/dbraw/zinc/86/19/83/554861983.db2.gz CHCHUPPQHKUGGD-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101973489 554862317 /nfs/dbraw/zinc/86/23/17/554862317.db2.gz AKSBMUZPEGOFFP-JWQCQUIFSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101973481 554862362 /nfs/dbraw/zinc/86/23/62/554862362.db2.gz AKSBMUZPEGOFFP-LOSJGSFVSA-N -1 1 534.588 5.460 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1)c1ccc(F)c(Cl)c1 ZINC000102278228 554906320 /nfs/dbraw/zinc/90/63/20/554906320.db2.gz DTJWGTMGOLQNCG-UHFFFAOYSA-N -1 1 527.940 5.381 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000102637467 554990557 /nfs/dbraw/zinc/99/05/57/554990557.db2.gz WGDGHERLCQMWLZ-UHFFFAOYSA-N -1 1 577.084 7.499 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1c(Cl)nc2sccn21 ZINC000102679866 555005106 /nfs/dbraw/zinc/00/51/06/555005106.db2.gz COOFZVIMRCDUAK-UHFFFAOYSA-N -1 1 514.988 5.417 50 0 KKAAMM O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000102747532 555041197 /nfs/dbraw/zinc/04/11/97/555041197.db2.gz QZZRHEKXWZWCTR-UHFFFAOYSA-N -1 1 582.557 5.356 50 0 KKAAMM Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1S(=O)(=O)c1ccccc1 ZINC000102780266 555065765 /nfs/dbraw/zinc/06/57/65/555065765.db2.gz YDHXNZAXIYVZEB-MUUNZHRXSA-N -1 1 531.659 5.336 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810372 555074557 /nfs/dbraw/zinc/07/45/57/555074557.db2.gz SNQNIDUPIQIZKR-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810439 555074671 /nfs/dbraw/zinc/07/46/71/555074671.db2.gz AFAOYCFSQAVDSQ-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810541 555074699 /nfs/dbraw/zinc/07/46/99/555074699.db2.gz CFPPSDJENQZNDT-DNQXCXABSA-N -1 1 537.472 6.480 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810536 555074719 /nfs/dbraw/zinc/07/47/19/555074719.db2.gz CFPPSDJENQZNDT-BJKOFHAPSA-N -1 1 537.472 6.480 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(Nc3nc(C(F)(F)F)nc4ccccc43)ccc2N2CCOCC2)cc1 ZINC000102908733 555141980 /nfs/dbraw/zinc/14/19/80/555141980.db2.gz WVWWEYXXYZXGNQ-UHFFFAOYSA-N -1 1 559.570 5.038 50 0 KKAAMM CCN(CC)P(=NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)(c1ccncc1)N(CC)CC ZINC000102918494 555144533 /nfs/dbraw/zinc/14/45/33/555144533.db2.gz NFPRZEPYJHUCJS-UHFFFAOYSA-N -1 1 593.159 6.273 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3c(C)c(-c4cccc(Cl)c4)nc4ccccc43)c2)cc1 ZINC000102922805 555147550 /nfs/dbraw/zinc/14/75/50/555147550.db2.gz LMJRNVBKPLLVFU-UHFFFAOYSA-N -1 1 558.059 6.925 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000102926454 555150798 /nfs/dbraw/zinc/15/07/98/555150798.db2.gz OUHNJTNJKHWWFU-UHFFFAOYSA-N -1 1 631.780 6.590 50 0 KKAAMM CCOc1ccccc1Nc1sc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)Nc1cccc(Cl)c1 ZINC000102929707 555155795 /nfs/dbraw/zinc/15/57/95/555155795.db2.gz JSKXGJFHZQMVLK-HSZRJFAPSA-N -1 1 596.965 6.470 50 0 KKAAMM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(c1ccsc1)c1c(C)[nH]n(-c2ccccc2Cl)c1=O ZINC000102934671 555161801 /nfs/dbraw/zinc/16/18/01/555161801.db2.gz FDNSDCUEESKUIA-UHFFFAOYSA-N -1 1 511.434 6.635 50 0 KKAAMM O=C(Nc1c2ccccc2cn1-c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccco1 ZINC000102939906 555168469 /nfs/dbraw/zinc/16/84/69/555168469.db2.gz FHCJYDRLIFRBDF-UHFFFAOYSA-N -1 1 594.615 6.896 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc1)C[C@@H](C)CC2 ZINC000102975624 555186053 /nfs/dbraw/zinc/18/60/53/555186053.db2.gz IJHHVIQYKBAHQQ-JKSUJKDBSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000102987003 555191117 /nfs/dbraw/zinc/19/11/17/555191117.db2.gz KITZLFKIJKRFQB-UHFFFAOYSA-N -1 1 612.463 6.126 50 0 KKAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993982 555194078 /nfs/dbraw/zinc/19/40/78/555194078.db2.gz KLMUCQHDBSYTJX-UHFFFAOYSA-N -1 1 612.538 5.917 50 0 KKAAMM Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000102994308 555194499 /nfs/dbraw/zinc/19/44/99/555194499.db2.gz WXRJRZUXFMCJCX-UHFFFAOYSA-N -1 1 589.471 5.510 50 0 KKAAMM COc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c2)cc1OC ZINC000102996771 555196530 /nfs/dbraw/zinc/19/65/30/555196530.db2.gz FROYJJJRBYYOFR-UHFFFAOYSA-N -1 1 532.618 5.014 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000102999088 555198611 /nfs/dbraw/zinc/19/86/11/555198611.db2.gz ACZHRYVLVJEVCO-UHFFFAOYSA-N -1 1 562.623 6.665 50 0 KKAAMM O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000103001653 555201443 /nfs/dbraw/zinc/20/14/43/555201443.db2.gz LMGGAODNBBQOMC-UHFFFAOYSA-N -1 1 572.668 5.929 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000103034883 555222393 /nfs/dbraw/zinc/22/23/93/555222393.db2.gz WDEBXNBXYIIBMW-LJQANCHMSA-N -1 1 528.255 5.284 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccco3)ccc2C)c1 ZINC000103096705 555274340 /nfs/dbraw/zinc/27/43/40/555274340.db2.gz QZCLOJZKHJWKQF-AREMUKBSSA-N -1 1 592.073 5.885 50 0 KKAAMM COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(Br)c(Br)c1[O-] ZINC000103128028 555296016 /nfs/dbraw/zinc/29/60/16/555296016.db2.gz DXQHPQPGWPRJEE-SZNDQCEHSA-N -1 1 536.245 6.230 50 0 KKAAMM COc1ccc(-n2c(SCC(=O)c3ccc([O-])cc3O)nnc2-c2cc(Cl)ccc2OC)cc1Cl ZINC000103133815 555303609 /nfs/dbraw/zinc/30/36/09/555303609.db2.gz BLVHWUAEEXRXON-UHFFFAOYSA-N -1 1 532.405 5.645 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCCN3CCOCC3)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000103390730 555375976 /nfs/dbraw/zinc/37/59/76/555375976.db2.gz NNMWFSACBVUESM-UHFFFAOYSA-N -1 1 614.690 5.188 50 0 KKAAMM Cc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000103397172 555383102 /nfs/dbraw/zinc/38/31/02/555383102.db2.gz QSRCQOMXWOKXOR-UHFFFAOYSA-N -1 1 559.669 5.682 50 0 KKAAMM O=C(NCc1ccco1)c1cc2cc([N-]S(=O)(=O)c3ccccc3)ccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000103420539 555400872 /nfs/dbraw/zinc/40/08/72/555400872.db2.gz DGBHCUBEVVGUQL-UHFFFAOYSA-N -1 1 553.562 6.032 50 0 KKAAMM COCCNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000103421261 555401965 /nfs/dbraw/zinc/40/19/65/555401965.db2.gz JBCHEEYRTCGYAK-UHFFFAOYSA-N -1 1 575.775 6.462 50 0 KKAAMM COc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000103424011 555403740 /nfs/dbraw/zinc/40/37/40/555403740.db2.gz WCBHHLFHFIGQLK-UHFFFAOYSA-N -1 1 585.707 6.102 50 0 KKAAMM CC(C)(C)c1ccc(Cn2c(C(=O)NCc3ccccc3)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1 ZINC000103428050 555409812 /nfs/dbraw/zinc/40/98/12/555409812.db2.gz YQPMRLAUJMXTMH-UHFFFAOYSA-N -1 1 619.709 7.737 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)N3CCCC3)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000103428049 555409900 /nfs/dbraw/zinc/40/99/00/555409900.db2.gz RNNGUJAJUCEMDH-UHFFFAOYSA-N -1 1 541.595 6.054 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2=O)cc1 ZINC000103428158 555410367 /nfs/dbraw/zinc/41/03/67/555410367.db2.gz ATVUSJAQZKOMMB-UHFFFAOYSA-N -1 1 575.643 5.624 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCc3ccccc3)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000103430506 555412614 /nfs/dbraw/zinc/41/26/14/555412614.db2.gz GKSNSFKWLKHQNT-UHFFFAOYSA-N -1 1 558.103 6.691 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)NCc3ccccc3)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 ZINC000103430569 555412924 /nfs/dbraw/zinc/41/29/24/555412924.db2.gz RPPSGXSLJGEOFV-UHFFFAOYSA-N -1 1 565.739 7.026 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1=O ZINC000103439332 555419112 /nfs/dbraw/zinc/41/91/12/555419112.db2.gz DHTVAJUFNOQTCR-UHFFFAOYSA-N -1 1 609.770 5.615 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1=O ZINC000103439480 555419507 /nfs/dbraw/zinc/41/95/07/555419507.db2.gz XJERXEBTLIKYBF-UHFFFAOYSA-N -1 1 620.522 5.210 50 0 KKAAMM Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000103439717 555419725 /nfs/dbraw/zinc/41/97/25/555419725.db2.gz RFAZCNLPNAFAGG-UHFFFAOYSA-N -1 1 594.089 6.578 50 0 KKAAMM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000103559927 555448240 /nfs/dbraw/zinc/44/82/40/555448240.db2.gz BVPTWCNALFELOH-YSGXDJDMSA-N -1 1 595.449 5.907 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000103563072 555449758 /nfs/dbraw/zinc/44/97/58/555449758.db2.gz JRRBFKVDYHIMBF-UHFFFAOYSA-N -1 1 592.677 6.034 50 0 KKAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000105623139 571407900 /nfs/dbraw/zinc/40/79/00/571407900.db2.gz WGQLFOZJUSUNDD-UHFFFAOYSA-N -1 1 553.921 6.514 50 0 KKAAMM CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000105796011 571408791 /nfs/dbraw/zinc/40/87/91/571408791.db2.gz UTCYUDYBHIVTMJ-RGSZASNESA-N -1 1 577.519 6.801 50 0 KKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2)c1 ZINC000110532209 571431468 /nfs/dbraw/zinc/43/14/68/571431468.db2.gz QWKQSNVZNSAUIA-GKVQRAMASA-N -1 1 501.645 5.265 50 0 KKAAMM CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000137592118 571450483 /nfs/dbraw/zinc/45/04/83/571450483.db2.gz JMXJJWRHEJZENI-JIMJEQGWSA-N -1 1 506.986 5.579 50 0 KKAAMM O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C(c1ccccc1)c1ccccc1 ZINC000150385090 571468507 /nfs/dbraw/zinc/46/85/07/571468507.db2.gz LTOADIFJBWWMBK-YTTGMZPUSA-N -1 1 657.714 7.004 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3scc(-c4ccccc4)c3C(=O)OCC)c2)cc1 ZINC000150389991 571472314 /nfs/dbraw/zinc/47/23/14/571472314.db2.gz OEXLEFIVCMRKKC-JOCHJYFZSA-N -1 1 634.776 6.919 50 0 KKAAMM COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150404854 571479118 /nfs/dbraw/zinc/47/91/18/571479118.db2.gz NIYVXCCQJANJJW-FPYOTAMTSA-N -1 1 646.693 6.153 50 0 KKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCN(C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c2cccc3ccccc32)c1 ZINC000150422411 571488214 /nfs/dbraw/zinc/48/82/14/571488214.db2.gz RHFYPBGOKWHQIP-UHFFFAOYSA-N -1 1 760.938 7.752 50 0 KKAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000150452615 571503231 /nfs/dbraw/zinc/50/32/31/571503231.db2.gz YHEDRKRCQGPGTN-UHFFFAOYSA-N -1 1 691.434 6.680 50 0 KKAAMM Cc1ccc(Br)c(NS(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)ccc2Cl)c1 ZINC000150453236 571503375 /nfs/dbraw/zinc/50/33/75/571503375.db2.gz GSSHQGMYJLOCIS-UHFFFAOYSA-N -1 1 669.406 6.918 50 0 KKAAMM CCOC(=O)c1c(Cc2ccc3c(c2)OCO3)c(C)sc1NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000150472328 571509764 /nfs/dbraw/zinc/50/97/64/571509764.db2.gz CKMCXGGUHWMRAJ-UHFFFAOYSA-N -1 1 636.704 5.149 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000263585000 572116443 /nfs/dbraw/zinc/11/64/43/572116443.db2.gz CYOZNVDGDVQMSZ-OAHLLOKOSA-N -1 1 546.915 5.384 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCC(C)C)c(OC)c2)cc1OC ZINC000263585565 572119333 /nfs/dbraw/zinc/11/93/33/572119333.db2.gz KCCLHZXDYJOFDN-LJQANCHMSA-N -1 1 546.572 5.667 50 0 KKAAMM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2OC)cc1 ZINC000263586616 572124164 /nfs/dbraw/zinc/12/41/64/572124164.db2.gz WEOYYXBDKGLNBJ-DEOSSOPVSA-N -1 1 624.642 6.263 50 0 KKAAMM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000226856284 572144186 /nfs/dbraw/zinc/14/41/86/572144186.db2.gz SGSXNADEYJDAMK-CILKRHGOSA-N -1 1 530.580 5.534 50 0 KKAAMM COC(=O)CN([C@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C)S(=O)(=O)c1ccccc1C ZINC000328597166 572145855 /nfs/dbraw/zinc/14/58/55/572145855.db2.gz FCJJARLWGYVZPU-SSEXGKCCSA-N -1 1 657.608 5.820 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000229596133 572154619 /nfs/dbraw/zinc/15/46/19/572154619.db2.gz TVGNSDOGCLLGGR-XDOZCLENSA-N -1 1 694.953 10.888 50 0 biogenic KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000229596133 572154623 /nfs/dbraw/zinc/15/46/23/572154623.db2.gz TVGNSDOGCLLGGR-XDOZCLENSA-N -1 1 694.953 10.888 50 0 biogenic KKAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc2c1OCCO2 ZINC000253397888 572284254 /nfs/dbraw/zinc/28/42/54/572284254.db2.gz BQXCRGMFSCPDOG-INIZCTEOSA-N -1 1 506.894 5.040 50 0 KKAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1OC ZINC000253413469 572288529 /nfs/dbraw/zinc/28/85/29/572288529.db2.gz UVYZOFJZRXIVHO-MRXNPFEDSA-N -1 1 508.910 5.286 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497356 572292008 /nfs/dbraw/zinc/29/20/08/572292008.db2.gz WXIZXILJEQMMHV-XSJLNCGTSA-N -1 1 680.926 10.498 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497356 572292009 /nfs/dbraw/zinc/29/20/09/572292009.db2.gz WXIZXILJEQMMHV-XSJLNCGTSA-N -1 1 680.926 10.498 50 0 KKAAMM C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000195529123 1071081984 /nfs/dbraw/zinc/08/19/84/1071081984.db2.gz LFQUEZXNGIVXPA-XHJPYHRUSA-N -1 1 665.042 9.130 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)cc1OC ZINC000263584738 1071122926 /nfs/dbraw/zinc/12/29/26/1071122926.db2.gz AAPMXCPHQXRDFG-XMMPIXPASA-N -1 1 636.653 6.189 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(N4CCOCC4)c(S(=O)(=O)[N-]c4ccc(OC)cc4)c3)C2=O)cc1 ZINC000150607069 1071174807 /nfs/dbraw/zinc/17/48/07/1071174807.db2.gz NBYOULSLLPOZJI-UQRQXUALSA-N -1 1 682.755 5.149 50 0 KKAAMM CC(C)(C)OC(=O)N1CCN(C2CCC(N(CC3(C(=O)[O-])CC3)C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000685951905 1071266332 /nfs/dbraw/zinc/26/63/32/1071266332.db2.gz YYOZBTMNEBAFIK-UHFFFAOYSA-N -1 1 603.760 5.966 50 0 KKAAMM CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750384 1071300561 /nfs/dbraw/zinc/30/05/61/1071300561.db2.gz YHQWZCWXKVZSGU-DNOBIOAJSA-N -1 1 501.535 5.412 50 0 KKAAMM CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750384 1071300572 /nfs/dbraw/zinc/30/05/72/1071300572.db2.gz YHQWZCWXKVZSGU-DNOBIOAJSA-N -1 1 501.535 5.412 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@@H]3[C@H]2c2ccc(OC)cc2)n1 ZINC000112309565 1071341415 /nfs/dbraw/zinc/34/14/15/1071341415.db2.gz KWXPAEFDRPNJAI-WJEZSSQRSA-N -1 1 558.704 5.655 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000097983925 1072839691 /nfs/dbraw/zinc/83/96/91/1072839691.db2.gz UMHFMZJMLXUIQY-MZJOHGLJSA-N -1 1 651.657 8.221 50 0 KKAAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N=NC1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000254287512 1072842954 /nfs/dbraw/zinc/84/29/54/1072842954.db2.gz ISTBTSAMRDNTNB-HHHXNRCGSA-N -1 1 549.008 6.389 50 0 KKAAMM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c(C)n1-c1cccc(C)c1 ZINC000254513779 1072861322 /nfs/dbraw/zinc/86/13/22/1072861322.db2.gz JKJYHLTUFSDXPP-UHFFFAOYSA-N -1 1 538.029 6.211 50 0 KKAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccc2ccccc2c1O ZINC000254737710 1072873939 /nfs/dbraw/zinc/87/39/39/1072873939.db2.gz XLSBFOGTCSMNBN-UHFFFAOYSA-N -1 1 510.959 5.744 50 0 KKAAMM CC(C)c1ccc(CNc2cc(C(=O)NCCCn3ccnc3)cc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000014533637 1072890739 /nfs/dbraw/zinc/89/07/39/1072890739.db2.gz KWAWLRYBCQNUPR-UHFFFAOYSA-N -1 1 531.682 5.240 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C1\CCCc2c1no[n+]2[O-] ZINC000150425451 1072902840 /nfs/dbraw/zinc/90/28/40/1072902840.db2.gz NODPERBQXWHTSA-VTGLWPOZSA-N -1 1 686.340 5.048 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C/c1ccc([N+](=O)[O-])o1 ZINC000150500007 1072905645 /nfs/dbraw/zinc/90/56/45/1072905645.db2.gz JTUXTPWYZXWOIB-DUDAPPAMSA-N -1 1 630.445 5.580 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)N(c2cccc3ccccc32)C(=O)N1CC(=O)N/N=C/c1cc(Br)ccc1O ZINC000150500033 1072905870 /nfs/dbraw/zinc/90/58/70/1072905870.db2.gz WWSBYVROFGMBAN-HDAICWPRSA-N -1 1 695.574 6.881 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000006235163 193873874 /nfs/dbraw/zinc/87/38/74/193873874.db2.gz VWTUGJMORUGBQU-PMACEKPBSA-N -1 1 526.102 6.438 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C ZINC000000637633 551506365 /nfs/dbraw/zinc/50/63/65/551506365.db2.gz NIZOXWFUPALJJG-UHFFFAOYSA-N -1 1 546.670 5.733 50 0 KKAAMM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000000980240 551591757 /nfs/dbraw/zinc/59/17/57/551591757.db2.gz AZPKTSVRNQZMMM-AWEZNQCLSA-N -1 1 525.877 6.023 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1C ZINC000000982945 551592258 /nfs/dbraw/zinc/59/22/58/551592258.db2.gz HQERAJFTDLGCSY-UHFFFAOYSA-N -1 1 534.965 5.277 50 0 KKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc1Cl ZINC000001023328 551597300 /nfs/dbraw/zinc/59/73/00/551597300.db2.gz NFXSKCKKAPTVIV-UHFFFAOYSA-N -1 1 500.882 5.790 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001245086 551631513 /nfs/dbraw/zinc/63/15/13/551631513.db2.gz YLGAAINXBDTYSZ-SMSORMJASA-N -1 1 524.573 5.888 50 0 KKAAMM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750377 551692727 /nfs/dbraw/zinc/69/27/27/551692727.db2.gz YHQWZCWXKVZSGU-CLYVBNDRSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750377 551692728 /nfs/dbraw/zinc/69/27/28/551692728.db2.gz YHQWZCWXKVZSGU-CLYVBNDRSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000001875612 551722076 /nfs/dbraw/zinc/72/20/76/551722076.db2.gz JZEDEROKZGTJQZ-HKBQPEDESA-N -1 1 576.187 7.329 50 0 KKAAMM CC(C)(C)c1cc(CC2(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)[N-]C(=O)NC2=O)cc(C(C)(C)C)c1O ZINC000001899676 551730246 /nfs/dbraw/zinc/73/02/46/551730246.db2.gz PRDZRUVJTYALPI-UHFFFAOYSA-N -1 1 564.767 7.266 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002060759 551742341 /nfs/dbraw/zinc/74/23/41/551742341.db2.gz ZVJOMULRSDANSC-UHFFFAOYSA-N -1 1 576.310 7.055 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002200953 551792684 /nfs/dbraw/zinc/79/26/84/551792684.db2.gz NAPUEPDYKCBIOD-UHFFFAOYSA-N -1 1 546.343 6.467 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc4ccccc4c3)c2cc1OC ZINC000002319332 552093553 /nfs/dbraw/zinc/09/35/53/552093553.db2.gz SZGKVJNERSADKC-UHFFFAOYSA-N -1 1 544.629 5.814 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)n2)cc1 ZINC000002425367 552116731 /nfs/dbraw/zinc/11/67/31/552116731.db2.gz AALSYPWCBDUEQH-UHFFFAOYSA-N -1 1 538.119 6.946 50 0 KKAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002443336 552120343 /nfs/dbraw/zinc/12/03/43/552120343.db2.gz DMHNEUYLYCQTPN-YPKYBTACSA-N -1 1 534.612 6.024 50 0 KKAAMM CC1(C)Cc2nc3sc(C(=O)[N-]c4nsc(-c5ccccc5)n4)c(N)c3c(-c3ccccc3)c2C(=O)C1 ZINC000002890640 552211247 /nfs/dbraw/zinc/21/12/47/552211247.db2.gz SZHHFMLQNPYJEA-UHFFFAOYSA-N -1 1 525.659 6.471 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2NCCc2ccc(Cl)cc2)c1 ZINC000003015066 552260826 /nfs/dbraw/zinc/26/08/26/552260826.db2.gz LSJBWFKEZBBYPZ-UHFFFAOYSA-N -1 1 528.074 5.430 50 0 KKAAMM O=S(=O)([N-]c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1)c1ccc(Cl)cc1Cl ZINC000003104289 552288491 /nfs/dbraw/zinc/28/84/91/552288491.db2.gz AKJZNRNGZODDIQ-UHFFFAOYSA-N -1 1 565.832 6.188 50 0 KKAAMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000003236461 552317062 /nfs/dbraw/zinc/31/70/62/552317062.db2.gz OCIQYQLXXFNUBN-UHFFFAOYSA-N -1 1 538.622 6.092 50 0 KKAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003238987 552317838 /nfs/dbraw/zinc/31/78/38/552317838.db2.gz XMEFPKMDMNATAY-UHFFFAOYSA-N -1 1 549.766 5.521 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccc(S(=O)(=O)[N-]c4cccc(C)c4)c3)ccc21 ZINC000003270187 552331550 /nfs/dbraw/zinc/33/15/50/552331550.db2.gz DABLYHBPNOBMPE-UHFFFAOYSA-N -1 1 541.629 5.719 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cccc(I)c3)c2)cc1 ZINC000003301439 552346237 /nfs/dbraw/zinc/34/62/37/552346237.db2.gz WDTNTLLPLVMNLN-UHFFFAOYSA-N -1 1 592.455 5.230 50 0 KKAAMM CCCc1cc(=O)[n-]c(S[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003311586 552352216 /nfs/dbraw/zinc/35/22/16/552352216.db2.gz UJQGKBVZXUVASG-DNQXCXABSA-N -1 1 512.056 5.396 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3S(=O)(=O)[N-]c3ccccc3)C2=O)cc1 ZINC000003414863 552382642 /nfs/dbraw/zinc/38/26/42/552382642.db2.gz GKBFIBOYESNWJM-QOMWVZHYSA-N -1 1 567.623 5.304 50 0 KKAAMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003515911 552390733 /nfs/dbraw/zinc/39/07/33/552390733.db2.gz QEWMJDMAZGWSNE-UHFFFAOYSA-N -1 1 575.495 6.952 50 0 KKAAMM O=C([O-])CCCC[N@@H+](CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000003934935 552423060 /nfs/dbraw/zinc/42/30/60/552423060.db2.gz WPYWMXNXEZFMAK-UHFFFAOYSA-N -1 1 565.710 7.049 50 0 in-man KKAAMM CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[n-]cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000004654579 552471455 /nfs/dbraw/zinc/47/14/55/552471455.db2.gz WQSYEVHYRANOQQ-UHFFFAOYSA-N -1 1 579.722 5.937 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)COc3ccc4ccccc4c3)c2)cc1Br ZINC000005941130 552513785 /nfs/dbraw/zinc/51/37/85/552513785.db2.gz HXLIQIGJJRVWLL-UHFFFAOYSA-N -1 1 575.868 6.083 50 0 KKAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006140367 552542696 /nfs/dbraw/zinc/54/26/96/552542696.db2.gz XLPJMOWLYULKDP-LBPRGKRZSA-N -1 1 562.900 5.622 50 0 KKAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006141965 552543367 /nfs/dbraw/zinc/54/33/67/552543367.db2.gz YQPHYWAWTHDDTH-FQEVSTJZSA-N -1 1 574.611 5.235 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c1)C[C@H](C)CC2 ZINC000006144315 552546054 /nfs/dbraw/zinc/54/60/54/552546054.db2.gz APTZASYINLIBFO-RTBURBONSA-N -1 1 584.716 5.343 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)c(C)c4)cc3)ccc21 ZINC000006144780 552547358 /nfs/dbraw/zinc/54/73/58/552547358.db2.gz AHDJVQAFVITVKY-JOCHJYFZSA-N -1 1 569.683 6.416 50 0 KKAAMM Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000008384772 552989907 /nfs/dbraw/zinc/98/99/07/552989907.db2.gz FIKGCJHCZLBBJI-UHFFFAOYSA-N -1 1 714.187 8.116 50 0 KKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC ZINC000008397864 552997815 /nfs/dbraw/zinc/99/78/15/552997815.db2.gz RRGQVCDYKCICLJ-UHFFFAOYSA-N -1 1 510.594 5.674 50 0 KKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1 ZINC000008444671 553051230 /nfs/dbraw/zinc/05/12/30/553051230.db2.gz BBLHIEMZLBKAAM-UHFFFAOYSA-N -1 1 525.074 5.823 50 0 KKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000008606727 553098458 /nfs/dbraw/zinc/09/84/58/553098458.db2.gz ROOFQTLMLWXMMT-UHFFFAOYSA-N -1 1 505.979 6.706 50 0 KKAAMM CCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009235832 553225422 /nfs/dbraw/zinc/22/54/22/553225422.db2.gz LKNSBCBDBNFYHZ-CAOOACKPSA-N -1 1 500.882 5.099 50 0 KKAAMM CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Br)cc2)cc1[O-] ZINC000009409512 553257183 /nfs/dbraw/zinc/25/71/83/553257183.db2.gz FUSZZSJCGAPQJX-UHFFFAOYSA-N -1 1 508.372 5.964 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432190 553261632 /nfs/dbraw/zinc/26/16/32/553261632.db2.gz MBRKDKZRVJJSIC-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432211 553261950 /nfs/dbraw/zinc/26/19/50/553261950.db2.gz ZWHPNWDDSDDYRV-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000009432271 553262185 /nfs/dbraw/zinc/26/21/85/553262185.db2.gz CEABVFOEOKXODR-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432255 553262227 /nfs/dbraw/zinc/26/22/27/553262227.db2.gz INMHOLSOUSTYBB-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000009432293 553262349 /nfs/dbraw/zinc/26/23/49/553262349.db2.gz SGEPEDFJPZLHSC-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432301 553262464 /nfs/dbraw/zinc/26/24/64/553262464.db2.gz GQKRCCDFGBUSHB-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432288 553262473 /nfs/dbraw/zinc/26/24/73/553262473.db2.gz UVROHKZUUBWYOY-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2NCCc2ccc(Cl)cc2)c1 ZINC000009490096 553273579 /nfs/dbraw/zinc/27/35/79/553273579.db2.gz MEUMTFAGGPXMCI-UHFFFAOYSA-N -1 1 514.047 5.040 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000009597364 553283780 /nfs/dbraw/zinc/28/37/80/553283780.db2.gz NKDZKOJRVYSLCJ-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679610 553296273 /nfs/dbraw/zinc/29/62/73/553296273.db2.gz BAGKKUJVVLSRHI-QFIPXVFZSA-N -1 1 508.397 5.827 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2cccc(Br)c2)cc1 ZINC000009679610 553296275 /nfs/dbraw/zinc/29/62/75/553296275.db2.gz BAGKKUJVVLSRHI-QFIPXVFZSA-N -1 1 508.397 5.827 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(Sc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)n2)cc1 ZINC000009731912 553302889 /nfs/dbraw/zinc/30/28/89/553302889.db2.gz KBVQUAWSFMAHNF-UHFFFAOYSA-N -1 1 518.063 7.096 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2N2CCCC2)cc1 ZINC000012532526 553386775 /nfs/dbraw/zinc/38/67/75/553386775.db2.gz HMHLCZAMEWRSPP-UHFFFAOYSA-N -1 1 509.672 5.251 50 0 KKAAMM Cc1ccc(NC(=S)Nc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc2Cl)cc1 ZINC000012549016 553392514 /nfs/dbraw/zinc/39/25/14/553392514.db2.gz DFBHHESUMXZBPL-UHFFFAOYSA-N -1 1 514.044 6.573 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000012563405 553395513 /nfs/dbraw/zinc/39/55/13/553395513.db2.gz VEXDYWJWQXFBAQ-UHFFFAOYSA-N -1 1 522.026 5.688 50 0 KKAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Br)c1 ZINC000012772900 553420781 /nfs/dbraw/zinc/42/07/81/553420781.db2.gz DUSPTJILTJEPTD-UHFFFAOYSA-N -1 1 514.228 5.738 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013936170 553495944 /nfs/dbraw/zinc/49/59/44/553495944.db2.gz TVBPDTWFCWBCRN-UHFFFAOYSA-N -1 1 504.823 6.396 50 0 KKAAMM COc1cc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc(OC)c1 ZINC000013937423 553496005 /nfs/dbraw/zinc/49/60/05/553496005.db2.gz QPGAYHYJTNTFGG-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000013937377 553496019 /nfs/dbraw/zinc/49/60/19/553496019.db2.gz VMKTZLUDZVCPGG-UHFFFAOYSA-N -1 1 508.496 6.946 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000014361332 553514515 /nfs/dbraw/zinc/51/45/15/553514515.db2.gz QHBXOWLPSYHNKR-UHFFFAOYSA-N -1 1 504.612 5.143 50 0 KKAAMM Cc1ccc(CNc2cc(C(=O)NCc3cccnc3)cc(S(=O)(=O)[N-]c3ccccc3)c2)c(C)c1 ZINC000014536690 553518111 /nfs/dbraw/zinc/51/81/11/553518111.db2.gz AUMSYZUIVFFMGO-UHFFFAOYSA-N -1 1 500.624 5.041 50 0 KKAAMM COc1ccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)cc1 ZINC000015913478 553542082 /nfs/dbraw/zinc/54/20/82/553542082.db2.gz VMQAZFRBSIIKFJ-UHFFFAOYSA-N -1 1 502.658 5.211 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(OC)cc2)n1 ZINC000015981043 553548613 /nfs/dbraw/zinc/54/86/13/553548613.db2.gz YQDFVNNOKXNVIF-SANMLTNESA-N -1 1 512.635 5.354 50 0 KKAAMM COc1ccc(C2=C(C=C3SC(=S)[N-]C3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1OC ZINC000017122853 553588233 /nfs/dbraw/zinc/58/82/33/553588233.db2.gz TUBMCWFINYNDCB-VVIXHQMUSA-N -1 1 501.629 6.820 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020135134 553593238 /nfs/dbraw/zinc/59/32/38/553593238.db2.gz DHSXOTHNKPFALJ-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000020135566 553593522 /nfs/dbraw/zinc/59/35/22/553593522.db2.gz OSGHVCHTVZHCBR-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])n1 ZINC000071386382 553635689 /nfs/dbraw/zinc/63/56/89/553635689.db2.gz UKIIUGDWBINCNB-UHFFFAOYSA-N -1 1 527.216 6.202 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490590 553660700 /nfs/dbraw/zinc/66/07/00/553660700.db2.gz SFROHCJSYFUVCY-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490582 553660768 /nfs/dbraw/zinc/66/07/68/553660768.db2.gz OSPOSOQUQVFKEM-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490580 553660793 /nfs/dbraw/zinc/66/07/93/553660793.db2.gz OSPOSOQUQVFKEM-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490564 553660805 /nfs/dbraw/zinc/66/08/05/553660805.db2.gz XMPLHIXGFUECHQ-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490598 553661141 /nfs/dbraw/zinc/66/11/41/553661141.db2.gz JWFIYBHWKDMLJS-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1 ZINC000020490652 553661154 /nfs/dbraw/zinc/66/11/54/553661154.db2.gz YUAPJFXHQIUYKS-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020490650 553661197 /nfs/dbraw/zinc/66/11/97/553661197.db2.gz SFXFKDCTIODRTN-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490737 553661896 /nfs/dbraw/zinc/66/18/96/553661896.db2.gz LSHIPAVOHBIASB-LOSJGSFVSA-N -1 1 518.589 5.760 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490723 553661928 /nfs/dbraw/zinc/66/19/28/553661928.db2.gz ZYNFNFCPACVEDF-LADGPHEKSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490865 553662869 /nfs/dbraw/zinc/66/28/69/553662869.db2.gz APFGQZCEVKLPJB-SVBPBHIXSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490859 553662951 /nfs/dbraw/zinc/66/29/51/553662951.db2.gz WGDFYHIRPMGLPK-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490932 553663375 /nfs/dbraw/zinc/66/33/75/553663375.db2.gz YKMMZLAVIHGLEM-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020491014 553663665 /nfs/dbraw/zinc/66/36/65/553663665.db2.gz MDKGUXZPXLFGRR-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000020491177 553664405 /nfs/dbraw/zinc/66/44/05/553664405.db2.gz YMDKYNSIBWCEDO-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020849979 553699364 /nfs/dbraw/zinc/69/93/64/553699364.db2.gz VPUNHHDTKNXPIA-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)cc(Br)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000095100774 553699602 /nfs/dbraw/zinc/69/96/02/553699602.db2.gz LHIDEKGULOPKMT-UHFFFAOYSA-N -1 1 638.360 5.693 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903612 553701486 /nfs/dbraw/zinc/70/14/86/553701486.db2.gz ZPYLKQAXITUTBB-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903565 553701519 /nfs/dbraw/zinc/70/15/19/553701519.db2.gz FWBOECHMLJFCPK-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020903756 553702169 /nfs/dbraw/zinc/70/21/69/553702169.db2.gz GFYHTSIAAUXIQT-SVBPBHIXSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020903718 553702255 /nfs/dbraw/zinc/70/22/55/553702255.db2.gz BNURSXRXULOLHR-LOSJGSFVSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020903801 553702579 /nfs/dbraw/zinc/70/25/79/553702579.db2.gz QEPKZKSSNHUSPH-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903948 553702930 /nfs/dbraw/zinc/70/29/30/553702930.db2.gz ZQOUHGJPEHYKGQ-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903929 553702943 /nfs/dbraw/zinc/70/29/43/553702943.db2.gz GVJSPWQIAYAKHP-JTHBVZDNSA-N -1 1 504.637 5.325 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903980 553703194 /nfs/dbraw/zinc/70/31/94/553703194.db2.gz BIWPETDRZUVURN-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020904002 553703269 /nfs/dbraw/zinc/70/32/69/553703269.db2.gz SIEFSQLMHKXBQS-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)c1 ZINC000020904101 553703701 /nfs/dbraw/zinc/70/37/01/553703701.db2.gz URRGQFPBEXVIME-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM CC(C)(C)P(=NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl)(N1CCCCCC1)N1CCCCCC1 ZINC000096022674 553722179 /nfs/dbraw/zinc/72/21/79/553722179.db2.gz VTFIGIODOZPYSE-UHFFFAOYSA-N -1 1 658.702 9.073 50 0 KKAAMM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc1)CCCC2 ZINC000097948433 553793840 /nfs/dbraw/zinc/79/38/40/553793840.db2.gz OHLBCDAZVHGFOO-UHFFFAOYSA-N -1 1 570.545 6.330 50 0 KKAAMM CCOC(=O)c1c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)sc(C)c1-c1ccccc1 ZINC000097948952 553798179 /nfs/dbraw/zinc/79/81/79/553798179.db2.gz ZCWMPYDDETVTEY-UHFFFAOYSA-N -1 1 620.605 7.817 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000097949542 553802246 /nfs/dbraw/zinc/80/22/46/553802246.db2.gz IITUFLQJCDKARY-HSZRJFAPSA-N -1 1 531.415 6.645 50 0 KKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 ZINC000027531849 553832015 /nfs/dbraw/zinc/83/20/15/553832015.db2.gz BSUNHHQUBGVJMF-KGENOOAVSA-N -1 1 508.061 6.159 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4c3c2)cc1 ZINC000029747525 553847998 /nfs/dbraw/zinc/84/79/98/553847998.db2.gz IUZMYSPOYGGENM-UHFFFAOYSA-N -1 1 538.603 5.205 50 0 KKAAMM CCc1sc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C)c2C)nc1-c1ccc(Cl)cc1Cl ZINC000097957866 553849142 /nfs/dbraw/zinc/84/91/42/553849142.db2.gz KXBQGGQBUZYUIG-BLCKFSMSSA-N -1 1 564.494 8.233 50 0 KKAAMM CCc1sc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000097958186 553852058 /nfs/dbraw/zinc/85/20/58/553852058.db2.gz RYWNXKDLWPDNAV-YJKCNMNRSA-N -1 1 543.648 7.976 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000097960026 553867709 /nfs/dbraw/zinc/86/77/09/553867709.db2.gz NWZANIQEOPJKKW-UHFFFAOYSA-N -1 1 520.385 6.622 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1)c1cccc(Cl)c1 ZINC000032974784 553883667 /nfs/dbraw/zinc/88/36/67/553883667.db2.gz PTLXCSNCPODURA-UHFFFAOYSA-N -1 1 509.950 5.242 50 0 KKAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)c(Cl)c5)cc4)cn3)n2)cc1 ZINC000032974763 553883815 /nfs/dbraw/zinc/88/38/15/553883815.db2.gz HWNANUOCRHIIGW-UHFFFAOYSA-N -1 1 520.014 5.719 50 0 KKAAMM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097965414 553904510 /nfs/dbraw/zinc/90/45/10/553904510.db2.gz PAAOGTJBNLSKHF-PLQXQRLBSA-N -1 1 718.354 5.242 50 0 KKAAMM CCc1ccc2oc(-c3cc(NC(=O)c4cc(I)ccc4I)ccc3[O-])nc2c1 ZINC000033353395 553924854 /nfs/dbraw/zinc/92/48/54/553924854.db2.gz KANZQDJREAUUJG-UHFFFAOYSA-N -1 1 610.189 6.224 50 0 KKAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1 ZINC000033355674 553936039 /nfs/dbraw/zinc/93/60/39/553936039.db2.gz JCXZJWQEMCNRSG-UHFFFAOYSA-N -1 1 528.453 5.403 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc2c(c1)OCO2 ZINC000033357664 553949948 /nfs/dbraw/zinc/94/99/48/553949948.db2.gz BTWQNTNQAXRYOM-XUZZJYLKSA-N -1 1 550.999 5.386 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(CC)cc3)nc2[O-])cc1 ZINC000033357694 553950323 /nfs/dbraw/zinc/95/03/23/553950323.db2.gz RXLTZJWIMYHFFZ-RRPNLBNLSA-N -1 1 554.672 5.604 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097971220 553961612 /nfs/dbraw/zinc/96/16/12/553961612.db2.gz FEIUURSBSRXRLE-BCGKTGJKSA-N -1 1 670.143 7.035 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)C/C3=C\c2cccs2)cc1 ZINC000097979655 553981163 /nfs/dbraw/zinc/98/11/63/553981163.db2.gz RQNIBVANFQLLLX-OHHYDVLYSA-N -1 1 594.777 7.856 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)C2=O)c(C)c1 ZINC000097980494 553988982 /nfs/dbraw/zinc/98/89/82/553988982.db2.gz XFZKXQFPZXRXBT-OVVQPSECSA-N -1 1 591.611 6.763 50 0 KKAAMM CCN(c1ccccc1)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl ZINC000097981266 553992704 /nfs/dbraw/zinc/99/27/04/553992704.db2.gz PTBIAJXZQJMFIB-UHFFFAOYSA-N -1 1 553.411 6.028 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000097983922 554013106 /nfs/dbraw/zinc/01/31/06/554013106.db2.gz GGMDPSCZEQJNJL-LOTXUUNYSA-N -1 1 615.677 7.943 50 0 KKAAMM Cc1noc(-c2ccc(C)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000035671969 554062532 /nfs/dbraw/zinc/06/25/32/554062532.db2.gz SISZEKGZDMDCBB-UHFFFAOYSA-N -1 1 519.479 7.228 50 0 KKAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035886891 554088491 /nfs/dbraw/zinc/08/84/91/554088491.db2.gz WEIMUGMVTCTQRD-IZZNHLLZSA-N -1 1 508.615 5.512 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1C ZINC000035910951 554094491 /nfs/dbraw/zinc/09/44/91/554094491.db2.gz JCXDOHOETOIOEU-QHCPKHFHSA-N -1 1 517.470 5.645 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2NCc2ccc(F)cc2)c1 ZINC000098049705 554168222 /nfs/dbraw/zinc/16/82/22/554168222.db2.gz WAFWLGBCDDHNFL-UHFFFAOYSA-N -1 1 588.705 5.205 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000040485258 554286908 /nfs/dbraw/zinc/28/69/08/554286908.db2.gz BAEYWRQTLUNWQN-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000040485279 554286922 /nfs/dbraw/zinc/28/69/22/554286922.db2.gz ZWZYRSZVZBEQLB-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000040484956 554286969 /nfs/dbraw/zinc/28/69/69/554286969.db2.gz XWGDYRGPZWFLEK-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM O=C(c1cc(Cl)c(Cl)n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1ccccc1O)c1ccccc1[O-] ZINC000043207346 554298106 /nfs/dbraw/zinc/29/81/06/554298106.db2.gz QYPJBTMRYKRTFG-UHFFFAOYSA-N -1 1 510.160 6.292 50 0 in-vitro KKAAMM O=C(c1cc(Cl)c(Cl)n1-c1c(Cl)c(Cl)[nH]c1C(=O)c1ccccc1[O-])c1ccccc1O ZINC000043207346 554298109 /nfs/dbraw/zinc/29/81/09/554298109.db2.gz QYPJBTMRYKRTFG-UHFFFAOYSA-N -1 1 510.160 6.292 50 0 in-vitro KKAAMM CCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000049745792 554324994 /nfs/dbraw/zinc/32/49/94/554324994.db2.gz FQXIMCXUTBUSNW-HXUWFJFHSA-N -1 1 548.298 7.760 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000049917796 554327134 /nfs/dbraw/zinc/32/71/34/554327134.db2.gz HAEIGYNTBRUCEE-QHCPKHFHSA-N -1 1 582.315 7.813 50 0 KKAAMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cc4ccccc4)cc(Br)c3[O-])C2=O)cc1C ZINC000100391746 554367366 /nfs/dbraw/zinc/36/73/66/554367366.db2.gz XILVVVHQRRGQMU-UCQKPKSFSA-N -1 1 551.462 6.037 50 0 KKAAMM Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000100429352 554390607 /nfs/dbraw/zinc/39/06/07/554390607.db2.gz WYVYRIZXXCHNNX-WENCNXQZSA-N -1 1 515.009 7.063 50 0 KKAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1Br ZINC000059503707 554399628 /nfs/dbraw/zinc/39/96/28/554399628.db2.gz ALDRVQRWTBZCOB-UHFFFAOYSA-N -1 1 557.207 5.107 50 0 KKAAMM O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000059524103 554405391 /nfs/dbraw/zinc/40/53/91/554405391.db2.gz VHJDXXNFVZIHII-UHFFFAOYSA-N -1 1 627.008 5.092 50 0 KKAAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1cccc(O)c1 ZINC000100547418 554414392 /nfs/dbraw/zinc/41/43/92/554414392.db2.gz RTZRBGIMGZBUQT-NSOVKSMOSA-N -1 1 508.622 5.787 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccccc1Cl ZINC000100617208 554432958 /nfs/dbraw/zinc/43/29/58/554432958.db2.gz BQBCBKDKDJSCPL-UHFFFAOYSA-N -1 1 607.110 7.507 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000100742847 554463740 /nfs/dbraw/zinc/46/37/40/554463740.db2.gz CZKTYPOIXMVYQB-WAOWUJCRSA-N -1 1 543.723 5.466 50 0 KKAAMM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1Cl ZINC000101070643 554574966 /nfs/dbraw/zinc/57/49/66/554574966.db2.gz QHONSMPLHQZFEO-TZIWHRDSSA-N -1 1 515.194 5.538 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101173150 554662255 /nfs/dbraw/zinc/66/22/55/554662255.db2.gz YEQKIUHBYOXGIP-OLUZHXLYSA-N -1 1 534.612 6.024 50 0 KKAAMM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(Cl)cc5)cc4)cn3)n2)cc1OC ZINC000101275324 554702645 /nfs/dbraw/zinc/70/26/45/554702645.db2.gz OCMOVJJMJSNZDN-UHFFFAOYSA-N -1 1 552.012 5.120 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289680 554707137 /nfs/dbraw/zinc/70/71/37/554707137.db2.gz FUDBPMBBZUCBEX-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1OC ZINC000101289561 554707255 /nfs/dbraw/zinc/70/72/55/554707255.db2.gz FIQXLMRBKZELMK-JYFHCDHNSA-N -1 1 528.634 5.190 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101289914 554707403 /nfs/dbraw/zinc/70/74/03/554707403.db2.gz GEKURBNZFBEVIG-GOTSBHOMSA-N -1 1 523.445 6.171 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101289907 554707495 /nfs/dbraw/zinc/70/74/95/554707495.db2.gz IMDRRPBWIPIFPL-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101290309 554707767 /nfs/dbraw/zinc/70/77/67/554707767.db2.gz YPCBDRVGXHKODS-FTJBHMTQSA-N -1 1 563.079 5.925 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000101291695 554708536 /nfs/dbraw/zinc/70/85/36/554708536.db2.gz UABLZPMDTBAPGO-PKTZIBPZSA-N -1 1 541.435 6.310 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c(C)c1 ZINC000101291643 554708548 /nfs/dbraw/zinc/70/85/48/554708548.db2.gz UGIDRQUESZCQGS-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(Br)cc3)[n-]2)cc1 ZINC000101291216 554708653 /nfs/dbraw/zinc/70/86/53/554708653.db2.gz FYOZOOFTYPKFGY-UHFFFAOYSA-N -1 1 542.480 5.711 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101291714 554708681 /nfs/dbraw/zinc/70/86/81/554708681.db2.gz VQVIDJQLNDFBRO-JWQCQUIFSA-N -1 1 551.043 6.056 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000101291702 554708687 /nfs/dbraw/zinc/70/86/87/554708687.db2.gz UABLZPMDTBAPGO-DHIUTWEWSA-N -1 1 541.435 6.310 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292845 554709448 /nfs/dbraw/zinc/70/94/48/554709448.db2.gz FZGXEXVSKDRDTN-ZEQRLZLVSA-N -1 1 555.006 5.805 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4cccc(Br)c4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101292600 554709465 /nfs/dbraw/zinc/70/94/65/554709465.db2.gz CIGXNPFGBQBYGI-RPWUZVMVSA-N -1 1 565.468 6.075 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1OC ZINC000101292930 554709587 /nfs/dbraw/zinc/70/95/87/554709587.db2.gz VQSAHIXOYIKBJM-RPLLCQBOSA-N -1 1 560.651 5.638 50 0 KKAAMM Cc1ccc(C)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101292911 554709632 /nfs/dbraw/zinc/70/96/32/554709632.db2.gz KCQBCZGLFKXDPE-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292897 554709667 /nfs/dbraw/zinc/70/96/67/554709667.db2.gz WACZCPCIOXGTFU-XZOQPEGZSA-N -1 1 587.421 6.044 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1OC ZINC000101293120 554709858 /nfs/dbraw/zinc/70/98/58/554709858.db2.gz IPXIODQXOAPILR-OZXSUGGESA-N -1 1 546.624 5.329 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000101293397 554710075 /nfs/dbraw/zinc/71/00/75/554710075.db2.gz AXYCOIVCORFPAX-BJKOFHAPSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101294156 554710674 /nfs/dbraw/zinc/71/06/74/554710674.db2.gz HFXGHFLGFDHHFA-DNQXCXABSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 ZINC000101294236 554710964 /nfs/dbraw/zinc/71/09/64/554710964.db2.gz RUFIAPQFHROTRI-UIOOFZCWSA-N -1 1 579.078 5.544 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101294813 554711581 /nfs/dbraw/zinc/71/15/81/554711581.db2.gz BZTQOTYLQTYJFR-RPLLCQBOSA-N -1 1 558.660 5.199 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101295355 554711950 /nfs/dbraw/zinc/71/19/50/554711950.db2.gz HALYCKBYTJHWQT-RPLLCQBOSA-N -1 1 542.661 5.444 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101295392 554711955 /nfs/dbraw/zinc/71/19/55/554711955.db2.gz GGTFMWKOCGVXAN-FTJBHMTQSA-N -1 1 540.645 5.350 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101295352 554711998 /nfs/dbraw/zinc/71/19/98/554711998.db2.gz HALYCKBYTJHWQT-SQHAQQRYSA-N -1 1 542.661 5.444 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101390139 554754057 /nfs/dbraw/zinc/75/40/57/554754057.db2.gz OTSICEDAJMDGMI-GDJIYFAZSA-N -1 1 530.602 5.950 50 0 KKAAMM COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(F)cc2)c1 ZINC000101497765 554787036 /nfs/dbraw/zinc/78/70/36/554787036.db2.gz NFRXHJDTUCCWFK-WENCNXQZSA-N -1 1 514.553 6.249 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000101616362 554806142 /nfs/dbraw/zinc/80/61/42/554806142.db2.gz ZOOQAXXNISEIJV-UHFFFAOYSA-N -1 1 604.638 6.633 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1Cc1ccc(F)cc1 ZINC000101860540 554844344 /nfs/dbraw/zinc/84/43/44/554844344.db2.gz MFZHPXLPLHIHCO-UHFFFAOYSA-N -1 1 535.685 6.313 50 0 KKAAMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000101917201 554850559 /nfs/dbraw/zinc/85/05/59/554850559.db2.gz OIKXAOGNNFRWMK-UHFFFAOYSA-N -1 1 528.515 5.581 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101969354 554854725 /nfs/dbraw/zinc/85/47/25/554854725.db2.gz LSKCJZNYUZMMJZ-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101969351 554854837 /nfs/dbraw/zinc/85/48/37/554854837.db2.gz LSKCJZNYUZMMJZ-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969270 554854885 /nfs/dbraw/zinc/85/48/85/554854885.db2.gz KSXFNVUGUHMKDZ-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969283 554854897 /nfs/dbraw/zinc/85/48/97/554854897.db2.gz GIXXUUBSDCOMCP-RSXGOPAZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969410 554854997 /nfs/dbraw/zinc/85/49/97/554854997.db2.gz HDVWWAGAIOXZIR-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969458 554855017 /nfs/dbraw/zinc/85/50/17/554855017.db2.gz BNMGNNMWEYNDHQ-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969561 554855361 /nfs/dbraw/zinc/85/53/61/554855361.db2.gz KOUZXTFINNESJE-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969789 554855624 /nfs/dbraw/zinc/85/56/24/554855624.db2.gz UFFRIQSKMCZCFW-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969669 554855648 /nfs/dbraw/zinc/85/56/48/554855648.db2.gz OXZPLGYQBLTDFE-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969666 554855664 /nfs/dbraw/zinc/85/56/64/554855664.db2.gz OXZPLGYQBLTDFE-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969940 554856102 /nfs/dbraw/zinc/85/61/02/554856102.db2.gz FEFXKZVJFBJRDL-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101970070 554856536 /nfs/dbraw/zinc/85/65/36/554856536.db2.gz UXXVIPYFAAZONH-CLJLJLNGSA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970138 554856545 /nfs/dbraw/zinc/85/65/45/554856545.db2.gz BEMALAIIJYNXAI-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970190 554856580 /nfs/dbraw/zinc/85/65/80/554856580.db2.gz XQTIVIIRMYMTQX-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970372 554856841 /nfs/dbraw/zinc/85/68/41/554856841.db2.gz FBVZQYQROFJTOC-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101970309 554857004 /nfs/dbraw/zinc/85/70/04/554857004.db2.gz OBYPRLXECXKBTO-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1C ZINC000101970425 554857296 /nfs/dbraw/zinc/85/72/96/554857296.db2.gz MHEGWZIVQWGGHK-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101970517 554857306 /nfs/dbraw/zinc/85/73/06/554857306.db2.gz ZTSOOVRLQIWOJI-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1F ZINC000101970500 554857346 /nfs/dbraw/zinc/85/73/46/554857346.db2.gz OSMYIMGJOPAEGX-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970544 554857665 /nfs/dbraw/zinc/85/76/65/554857665.db2.gz PHKSWHKLTNTDDX-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000101970751 554857920 /nfs/dbraw/zinc/85/79/20/554857920.db2.gz JFHLJJGBSNPWMI-VWNXMTODSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970899 554858227 /nfs/dbraw/zinc/85/82/27/554858227.db2.gz VBSIOQWTDPIAIE-AHWVRZQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970911 554858402 /nfs/dbraw/zinc/85/84/02/554858402.db2.gz VBSIOQWTDPIAIE-AOYPEHQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)c1 ZINC000101971052 554858523 /nfs/dbraw/zinc/85/85/23/554858523.db2.gz SYPNORSLCICOSW-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000101971005 554858543 /nfs/dbraw/zinc/85/85/43/554858543.db2.gz AONUDCBAFBPMDW-ILBGXUMGSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101971273 554859014 /nfs/dbraw/zinc/85/90/14/554859014.db2.gz NYDXUDWSHSCWBW-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc(OC)c1 ZINC000101971380 554859228 /nfs/dbraw/zinc/85/92/28/554859228.db2.gz JHZLBCRCRULECL-FTJBHMTQSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101971667 554859534 /nfs/dbraw/zinc/85/95/34/554859534.db2.gz PJNQTXWOWDZIQB-AZGAKELHSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101971671 554859545 /nfs/dbraw/zinc/85/95/45/554859545.db2.gz PJNQTXWOWDZIQB-AOYPEHQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971698 554859766 /nfs/dbraw/zinc/85/97/66/554859766.db2.gz SMOQTZODTDEYRZ-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971730 554859782 /nfs/dbraw/zinc/85/97/82/554859782.db2.gz QDXMUTAPWUSBME-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972270 554860065 /nfs/dbraw/zinc/86/00/65/554860065.db2.gz OXVVRSQYHCBNEG-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101972241 554860074 /nfs/dbraw/zinc/86/00/74/554860074.db2.gz LORQVQLZWUFAEN-FTJBHMTQSA-N -1 1 528.634 5.272 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101972118 554860109 /nfs/dbraw/zinc/86/01/09/554860109.db2.gz NBLVUHBTXJKVQZ-FTJBHMTQSA-N -1 1 531.081 6.389 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101972366 554860338 /nfs/dbraw/zinc/86/03/38/554860338.db2.gz DUWUBMMXWPYYMY-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972699 554861003 /nfs/dbraw/zinc/86/10/03/554861003.db2.gz FWODGPONXMSNCE-DQEYMECFSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101972659 554861080 /nfs/dbraw/zinc/86/10/80/554861080.db2.gz MAJOGCJQXBKICW-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101972927 554861231 /nfs/dbraw/zinc/86/12/31/554861231.db2.gz OOFDGLONQKMQMH-FTJBHMTQSA-N -1 1 530.625 5.711 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101972991 554861624 /nfs/dbraw/zinc/86/16/24/554861624.db2.gz DXUOVWNBCLQVNN-XZOQPEGZSA-N -1 1 542.970 5.935 50 0 KKAAMM Cc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973304 554862057 /nfs/dbraw/zinc/86/20/57/554862057.db2.gz XEELEVNGLPCRFK-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc(C)c2)nc1[O-] ZINC000101973298 554862065 /nfs/dbraw/zinc/86/20/65/554862065.db2.gz CHCHUPPQHKUGGD-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc(I)c1O ZINC000102084860 554876245 /nfs/dbraw/zinc/87/62/45/554876245.db2.gz ZZBIKJGJJNREBG-QFIPXVFZSA-N -1 1 561.445 5.444 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1 ZINC000102413906 554924372 /nfs/dbraw/zinc/92/43/72/554924372.db2.gz UTVRFGMTDRUYFJ-XMMPIXPASA-N -1 1 610.555 7.246 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1 ZINC000102413904 554924444 /nfs/dbraw/zinc/92/44/44/554924444.db2.gz UTVRFGMTDRUYFJ-DEOSSOPVSA-N -1 1 610.555 7.246 50 0 KKAAMM O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564056 554969494 /nfs/dbraw/zinc/96/94/94/554969494.db2.gz NJMUSOJLJZIDAC-VJGNERBWSA-N -1 1 559.405 6.264 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102739116 555027569 /nfs/dbraw/zinc/02/75/69/555027569.db2.gz BOFLRWNUAIVPMS-JCYYIGJDSA-N -1 1 500.595 5.624 50 0 KKAAMM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000102753827 555045734 /nfs/dbraw/zinc/04/57/34/555045734.db2.gz URMWXOHAIAVGBN-UHFFFAOYSA-N -1 1 607.018 5.364 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102768168 555055870 /nfs/dbraw/zinc/05/58/70/555055870.db2.gz QQLFJLVMQCIPOZ-JCYYIGJDSA-N -1 1 500.595 5.542 50 0 KKAAMM Cc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3cccc(Cl)c3)c2)cc1 ZINC000102770317 555058045 /nfs/dbraw/zinc/05/80/45/555058045.db2.gz ARPRBSWXBRZZJJ-NOZRDPDXSA-N -1 1 603.144 5.165 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc(OC)c1 ZINC000102810987 555074793 /nfs/dbraw/zinc/07/47/93/555074793.db2.gz ZRLNGDSPGUQMEA-IZZNHLLZSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3Cl)nc2[O-])c1 ZINC000102810584 555074801 /nfs/dbraw/zinc/07/48/01/555074801.db2.gz DMIKSPDQMOBWHC-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000102926451 555150909 /nfs/dbraw/zinc/15/09/09/555150909.db2.gz DTMMUPWSAWXHMS-UHFFFAOYSA-N -1 1 593.662 5.431 50 0 KKAAMM CCOc1ccccc1Nc1sc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(N)c1C(=O)Nc1cccc(Cl)c1 ZINC000102929708 555155820 /nfs/dbraw/zinc/15/58/20/555155820.db2.gz JSKXGJFHZQMVLK-QHCPKHFHSA-N -1 1 596.965 6.470 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3cc(-c4ccc(OC)cc4)nc4ccccc43)c2)cc1 ZINC000102955342 555173702 /nfs/dbraw/zinc/17/37/02/555173702.db2.gz KDBVMMBJDDQULT-UHFFFAOYSA-N -1 1 539.613 5.972 50 0 KKAAMM O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000102960407 555175882 /nfs/dbraw/zinc/17/58/82/555175882.db2.gz DJTZEPZBWMAYRO-RSSRHXQMSA-N -1 1 603.895 9.306 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccccc1F ZINC000102973362 555183278 /nfs/dbraw/zinc/18/32/78/555183278.db2.gz AZOHANADAZJYGC-UHFFFAOYSA-N -1 1 590.655 6.993 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000102976212 555186203 /nfs/dbraw/zinc/18/62/03/555186203.db2.gz NHMCNPYQGIJOSQ-UHFFFAOYSA-N -1 1 523.964 5.122 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)C2=O)c(C)c1 ZINC000102983188 555188983 /nfs/dbraw/zinc/18/89/83/555188983.db2.gz XFZKXQFPZXRXBT-IMRQLAEWSA-N -1 1 591.611 6.763 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl)c1ccc2ccccc2n1 ZINC000102994445 555194700 /nfs/dbraw/zinc/19/47/00/555194700.db2.gz NYFIPHSTJIHNTB-UHFFFAOYSA-N -1 1 516.804 5.704 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4Cl)c3)c2)c1 ZINC000102996453 555195903 /nfs/dbraw/zinc/19/59/03/555195903.db2.gz KLKFCRAGHBVXLF-UHFFFAOYSA-N -1 1 584.119 6.119 50 0 KKAAMM Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000102996503 555196251 /nfs/dbraw/zinc/19/62/51/555196251.db2.gz DWJDPIXQKFYKDA-UHFFFAOYSA-N -1 1 581.691 7.640 50 0 KKAAMM Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000102996517 555196283 /nfs/dbraw/zinc/19/62/83/555196283.db2.gz CAHFIDHZBGBYCT-UHFFFAOYSA-N -1 1 606.676 6.121 50 0 KKAAMM CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1OCC ZINC000103049478 555231498 /nfs/dbraw/zinc/23/14/98/555231498.db2.gz VQGGILLGBZHNRG-UHFFFAOYSA-N -1 1 539.654 5.146 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc2ccccc2oc1=O ZINC000103049748 555231995 /nfs/dbraw/zinc/23/19/95/555231995.db2.gz SIZDBDOXQRBYQK-UHFFFAOYSA-N -1 1 557.550 5.465 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cncc(Br)c1 ZINC000103049756 555232028 /nfs/dbraw/zinc/23/20/28/555232028.db2.gz JSURPDHMYXDDAV-UHFFFAOYSA-N -1 1 569.403 5.516 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2N2CCCCC2)cc1 ZINC000103050170 555232415 /nfs/dbraw/zinc/23/24/15/555232415.db2.gz BCZOBHVXAGTJOT-UHFFFAOYSA-N -1 1 533.572 5.757 50 0 KKAAMM CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2Cl)c1C ZINC000103085539 555264278 /nfs/dbraw/zinc/26/42/78/555264278.db2.gz FMPWPBHJALSZRF-OAHLLOKOSA-N -1 1 611.898 5.453 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(C(C)(C)C)ccc3OC)c2)cc1 ZINC000103092365 555271387 /nfs/dbraw/zinc/27/13/87/555271387.db2.gz RNDMHBZCGPLAOP-UHFFFAOYSA-N -1 1 552.693 5.932 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C[C@H](C)CC2 ZINC000103098475 555275743 /nfs/dbraw/zinc/27/57/43/555275743.db2.gz VKYRIPNKPRTPEP-CVEARBPZSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103163235 555321865 /nfs/dbraw/zinc/32/18/65/555321865.db2.gz JFOFSQDNWQSTIE-DBXWQHBBSA-N -1 1 543.723 5.466 50 0 KKAAMM COc1ccc(C)cc1NC1=C(Sc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C(=O)N(c2ccccc2)C1=O ZINC000103422015 555402792 /nfs/dbraw/zinc/40/27/92/555402792.db2.gz GAVHYFYLMGVNCV-UHFFFAOYSA-N -1 1 585.707 6.102 50 0 KKAAMM Cc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1C ZINC000103435357 555417712 /nfs/dbraw/zinc/41/77/12/555417712.db2.gz ISBSQIMPTYSFRP-UHFFFAOYSA-N -1 1 591.661 6.372 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccccc3)=C(Sc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000103439371 555419117 /nfs/dbraw/zinc/41/91/17/555419117.db2.gz RJWWAUDQNUTZMQ-UHFFFAOYSA-N -1 1 592.098 6.139 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)C1=O ZINC000103439378 555419137 /nfs/dbraw/zinc/41/91/37/555419137.db2.gz AURSMBKRSPHMJF-UHFFFAOYSA-N -1 1 621.659 5.336 50 0 KKAAMM COc1ccc(C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)C2=C(O)c2ccccc2)cc1 ZINC000108800798 571426629 /nfs/dbraw/zinc/42/66/29/571426629.db2.gz FLIWBLNZYJLMOU-NRFANRHFSA-N -1 1 521.392 5.635 50 0 KKAAMM CCCCCOC1=CC[C@@H](C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)C=C1 ZINC000135740179 571448922 /nfs/dbraw/zinc/44/89/22/571448922.db2.gz TWDZBNIGWDYNEY-DEOSSOPVSA-N -1 1 524.665 6.885 50 0 KKAAMM CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137629192 571450476 /nfs/dbraw/zinc/45/04/76/571450476.db2.gz VEBFZECWXXXTMH-OYUWMTPXSA-N -1 1 521.013 5.969 50 0 KKAAMM CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137624869 571450531 /nfs/dbraw/zinc/45/05/31/571450531.db2.gz FGOMSAZEUOUEFS-OYUWMTPXSA-N -1 1 504.558 5.454 50 0 KKAAMM Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(I)cc(I)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000150359790 571463637 /nfs/dbraw/zinc/46/36/37/571463637.db2.gz LGAQIMCNLYCTHG-UHFFFAOYSA-N -1 1 732.360 5.377 50 0 KKAAMM O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000150393432 571475050 /nfs/dbraw/zinc/47/50/50/571475050.db2.gz RLMGJQYRUPPUMZ-NOZRDPDXSA-N -1 1 723.093 5.651 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000150407849 571480433 /nfs/dbraw/zinc/48/04/33/571480433.db2.gz ATGHUTPPWFJBTM-UHFFFAOYSA-N -1 1 683.897 5.759 50 0 KKAAMM COc1ccc(CCNc2ccc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)cc2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1OC ZINC000150409253 571481617 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Cc1nn(-c2ccccc2)c(Oc2ccc(-c3ccccc3)cc2)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000150481316 571512591 /nfs/dbraw/zinc/51/25/91/571512591.db2.gz YWMFKCALLDBZDY-UHFFFAOYSA-N -1 1 684.800 9.220 50 0 KKAAMM Cc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000150488104 571516650 /nfs/dbraw/zinc/51/66/50/571516650.db2.gz VGGIOSIMFHRUBW-UHFFFAOYSA-N -1 1 627.666 6.701 50 0 KKAAMM C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000170626728 571563077 /nfs/dbraw/zinc/56/30/77/571563077.db2.gz NNBDLEZASZBUJK-AWEZNQCLSA-N -1 1 514.978 6.279 50 0 KKAAMM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000216085302 571592528 /nfs/dbraw/zinc/59/25/28/571592528.db2.gz BLUIZLPURCWKDQ-IHPUGEDLSA-N -1 1 533.032 7.174 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)c(OCc3ccc(C(C)C)cc3)c2)cc1OC ZINC000263585854 572120575 /nfs/dbraw/zinc/12/05/75/572120575.db2.gz 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ZINC000254292690 1072844138 /nfs/dbraw/zinc/84/41/38/1072844138.db2.gz XVJVHFTULSJNKR-GDLZYMKVSA-N -1 1 515.034 6.588 50 0 KKAAMM O=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254710354 1072871886 /nfs/dbraw/zinc/87/18/86/1072871886.db2.gz DITRLUBKNBYJPL-HHHXNRCGSA-N -1 1 532.021 5.799 50 0 KKAAMM CC(=NNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccc1Br ZINC000254712138 1072872279 /nfs/dbraw/zinc/87/22/79/1072872279.db2.gz AUGTWEIIVFGTNE-UHFFFAOYSA-N -1 1 506.809 5.057 50 0 KKAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccc(OC(F)F)cc1 ZINC000254739592 1072874495 /nfs/dbraw/zinc/87/44/95/1072874495.db2.gz ORMQOAQXYVIZCN-UHFFFAOYSA-N -1 1 510.906 5.487 50 0 KKAAMM Cc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000254791285 1072879358 /nfs/dbraw/zinc/87/93/58/1072879358.db2.gz GVXDQXKNYZEUJS-UHFFFAOYSA-N -1 1 568.011 5.601 50 0 KKAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1cccc(C(F)(F)F)c1 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ZINC000001055076 551600113 /nfs/dbraw/zinc/60/01/13/551600113.db2.gz SLXXLXHBBBSJMR-QHCPKHFHSA-N -1 1 517.457 7.154 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001245085 551631501 /nfs/dbraw/zinc/63/15/01/551631501.db2.gz YLGAAINXBDTYSZ-CHJDUVSTSA-N -1 1 524.573 5.888 50 0 KKAAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000001408920 551663708 /nfs/dbraw/zinc/66/37/08/551663708.db2.gz NSBOXQMCRJMXMZ-WKRVVKTRSA-N -1 1 523.633 6.794 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001408968 551663738 /nfs/dbraw/zinc/66/37/38/551663738.db2.gz FNWADMKLGSWNIG-JCOAXYOVSA-N -1 1 526.589 6.119 50 0 KKAAMM COc1cc2c(cc1OC)[C@H](c1c([O-])n(-c3ccc(Br)cc3)c(=S)n(-c3ccccc3)c1=O)NCC2 ZINC000002365035 552103676 /nfs/dbraw/zinc/10/36/76/552103676.db2.gz OVLVRCLHPAVTBL-XMMPIXPASA-N -1 1 566.477 5.078 50 0 KKAAMM 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Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCOc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003144334 552296657 /nfs/dbraw/zinc/29/66/57/552296657.db2.gz QTTQKBQEYLVYIK-UHFFFAOYSA-N -1 1 538.647 5.320 50 0 KKAAMM O=C(Nc1cc(Br)cc(NC(=O)c2cc3ccccc3cc2O)c1)c1cc2ccccc2cc1[O-] ZINC000003146811 552297170 /nfs/dbraw/zinc/29/71/70/552297170.db2.gz BPGNLCRTOXXBEG-UHFFFAOYSA-N -1 1 527.374 6.671 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)CCCC2 ZINC000003211775 552305569 /nfs/dbraw/zinc/30/55/69/552305569.db2.gz DMHOYXQKJOXRAD-UHFFFAOYSA-N -1 1 519.044 5.510 50 0 KKAAMM O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000003215639 552307276 /nfs/dbraw/zinc/30/72/76/552307276.db2.gz NXCLEINIAIDSPB-UHFFFAOYSA-N -1 1 539.535 6.011 50 0 KKAAMM CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003244464 552319928 /nfs/dbraw/zinc/31/99/28/552319928.db2.gz CJDNMVWCKHMIMP-UHFFFAOYSA-N -1 1 569.989 6.020 50 0 KKAAMM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1)N1CCCc2ccccc21 ZINC000003262414 552327071 /nfs/dbraw/zinc/32/70/71/552327071.db2.gz OMMKRJHNKODTIG-UHFFFAOYSA-N -1 1 514.028 5.354 50 0 KKAAMM COc1ccc([O-])c(C(=O)c2cc(C(=O)Nc3cccc(Cl)c3)c(=O)n(-c3cccc(Cl)c3)c2)c1 ZINC000003292192 552341226 /nfs/dbraw/zinc/34/12/26/552341226.db2.gz VWGWVFJGCNONPB-UHFFFAOYSA-N -1 1 509.345 5.342 50 0 KKAAMM COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Br)cc4)c3)cc2)cc1 ZINC000003292878 552341335 /nfs/dbraw/zinc/34/13/35/552341335.db2.gz ISWIUACTYOYTOT-UHFFFAOYSA-N -1 1 580.460 5.763 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)c2)c1 ZINC000003328892 552358481 /nfs/dbraw/zinc/35/84/81/552358481.db2.gz KKESUMPNTDKBIU-UHFFFAOYSA-N -1 1 531.600 6.366 50 0 KKAAMM Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003380229 552377915 /nfs/dbraw/zinc/37/79/15/552377915.db2.gz LDYQZBPUZIUJLG-KRWDZBQOSA-N -1 1 563.632 5.818 50 0 KKAAMM Cc1c(-n2c(SCc3cc(=O)oc4cc([O-])ccc34)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003381541 552378255 /nfs/dbraw/zinc/37/82/55/552378255.db2.gz UKQRJJZZEXERHK-UHFFFAOYSA-N -1 1 572.046 5.490 50 0 KKAAMM COC(=O)CN1C(=O)N(c2cccc3ccccc32)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000003876642 552421788 /nfs/dbraw/zinc/42/17/88/552421788.db2.gz XYZXOLGWUYQZOG-SANMLTNESA-N -1 1 512.566 5.436 50 0 KKAAMM Cc1ccc(C(c2ccc(C)o2)c2cc(I)cc(I)c2[O-])o1 ZINC000004267979 552454877 /nfs/dbraw/zinc/45/48/77/552454877.db2.gz DSAJMLHJRQKUOB-UHFFFAOYSA-N -1 1 520.104 5.584 50 0 KKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c(C)c1 ZINC000006146551 552548270 /nfs/dbraw/zinc/54/82/70/552548270.db2.gz HKQDNBMEMCFLEW-UHFFFAOYSA-N -1 1 533.719 7.086 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000006235165 552572002 /nfs/dbraw/zinc/57/20/02/552572002.db2.gz BGWVUMDWXBNVTR-BGYRXZFFSA-N -1 1 559.654 6.803 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccnc3Cl)c2)cc1Br ZINC000006304283 552580723 /nfs/dbraw/zinc/58/07/23/552580723.db2.gz WYUZQMSMURSEAL-UHFFFAOYSA-N -1 1 531.215 5.213 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1c(F)cccc1F ZINC000008386310 552991859 /nfs/dbraw/zinc/99/18/59/552991859.db2.gz QXZPHHPVBYCLOK-QFIPXVFZSA-N -1 1 604.268 8.049 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(Cl)cc2Cl)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000008439657 553035982 /nfs/dbraw/zinc/03/59/82/553035982.db2.gz GQODRKSFSSJKQK-UHFFFAOYSA-N -1 1 571.464 7.833 50 0 KKAAMM COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5ccc(Cl)c(Cl)c5)cc4)c3n2)cc1 ZINC000008454593 553069415 /nfs/dbraw/zinc/06/94/15/553069415.db2.gz ROKRHOKYGAGJFN-UHFFFAOYSA-N -1 1 618.449 6.702 50 0 KKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)c1C(=O)OCc1ccccc1 ZINC000008589902 553081545 /nfs/dbraw/zinc/08/15/45/553081545.db2.gz UZQRFNIBFDNEAY-UHFFFAOYSA-N -1 1 513.615 7.176 50 0 aggregator KKAAMM COc1cc(CN2C(=O)N(c3ccccc3)[C@@H](N([O-])C(=O)Nc3ccccc3)C2(C)C)cc(OC)c1OC ZINC000008926395 553191251 /nfs/dbraw/zinc/19/12/51/553191251.db2.gz IUKICRIIIIJUNI-VWLOTQADSA-N -1 1 520.586 5.183 50 0 KKAAMM CCCCCN1C(=O)N(c2cccc3ccccc32)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000009144843 553214019 /nfs/dbraw/zinc/21/40/19/553214019.db2.gz OHRSUBUOSIAJRE-NDEPHWFRSA-N -1 1 510.638 7.453 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2cccc(C)c2)s1 ZINC000009368258 553249595 /nfs/dbraw/zinc/24/95/95/553249595.db2.gz MNAWSQSNEZLPTO-UHFFFAOYSA-N -1 1 500.005 5.446 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000009432168 553261409 /nfs/dbraw/zinc/26/14/09/553261409.db2.gz BBTSFMAGBNGGOZ-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432188 553261612 /nfs/dbraw/zinc/26/16/12/553261612.db2.gz MBRKDKZRVJJSIC-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000009432230 553261947 /nfs/dbraw/zinc/26/19/47/553261947.db2.gz NIGNENWNVWHACY-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000009432226 553261965 /nfs/dbraw/zinc/26/19/65/553261965.db2.gz JBSIVDFEKBINSF-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432275 553262145 /nfs/dbraw/zinc/26/21/45/553262145.db2.gz RCBWELSPPJSFCM-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009432249 553262219 /nfs/dbraw/zinc/26/22/19/553262219.db2.gz DSOHYDFDZFFFGQ-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432253 553262268 /nfs/dbraw/zinc/26/22/68/553262268.db2.gz INMHOLSOUSTYBB-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432250 553262307 /nfs/dbraw/zinc/26/23/07/553262307.db2.gz DSOHYDFDZFFFGQ-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432273 553262314 /nfs/dbraw/zinc/26/23/14/553262314.db2.gz RCBWELSPPJSFCM-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1F ZINC000009432308 553262336 /nfs/dbraw/zinc/26/23/36/553262336.db2.gz GAUNNRZYPQPBMW-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000009432315 553262671 /nfs/dbraw/zinc/26/26/71/553262671.db2.gz ALPAYZTXJCMBRV-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009597269 553283560 /nfs/dbraw/zinc/28/35/60/553283560.db2.gz FLCLEAFVYWEHHM-RRPNLBNLSA-N -1 1 526.662 5.880 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679584 553296343 /nfs/dbraw/zinc/29/63/43/553296343.db2.gz XLSQGSNCWHFQOI-QFIPXVFZSA-N -1 1 508.397 5.827 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009679584 553296345 /nfs/dbraw/zinc/29/63/45/553296345.db2.gz XLSQGSNCWHFQOI-QFIPXVFZSA-N -1 1 508.397 5.827 50 0 KKAAMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000009925870 553316971 /nfs/dbraw/zinc/31/69/71/553316971.db2.gz OVGFDXOXYLDTOI-UHFFFAOYSA-N -1 1 524.621 6.064 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc2N2CCCCC2)cc1 ZINC000012311564 553357556 /nfs/dbraw/zinc/35/75/56/553357556.db2.gz XTKQGXIUXLQVBI-FRKPEAEDSA-N -1 1 526.058 5.792 50 0 KKAAMM O=S(=O)([N-]c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012377092 553361716 /nfs/dbraw/zinc/36/17/16/553361716.db2.gz PWHOESILXFEIRI-UHFFFAOYSA-N -1 1 501.486 5.130 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 ZINC000012570018 553398046 /nfs/dbraw/zinc/39/80/46/553398046.db2.gz FZAKQAPJSMZWIG-UHFFFAOYSA-N -1 1 507.509 5.498 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000013134646 553452259 /nfs/dbraw/zinc/45/22/59/553452259.db2.gz UHZCLEPUEWVMMQ-UHFFFAOYSA-N -1 1 502.379 6.010 50 0 KKAAMM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(OCCCOc5ccc(Cl)cc5)cc4)[n-]c(=O)c23)C1 ZINC000013896762 553494873 /nfs/dbraw/zinc/49/48/73/553494873.db2.gz BYOCPMCXNNBCCF-IBGZPJMESA-N -1 1 523.098 7.304 50 0 KKAAMM CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000013936164 553495799 /nfs/dbraw/zinc/49/57/99/553495799.db2.gz PWGCBMQETYXWNT-UHFFFAOYSA-N -1 1 508.496 6.946 50 0 KKAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c(OC)c1 ZINC000013937393 553495957 /nfs/dbraw/zinc/49/59/57/553495957.db2.gz YUWGWIKFLOXUHH-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017953523 553600725 /nfs/dbraw/zinc/60/07/25/553600725.db2.gz VEBFZECWXXXTMH-VJGNERBWSA-N -1 1 521.013 5.969 50 0 KKAAMM O=c1c([C@H]2NCCc3ccccc32)c([O-])n(-c2cccc3ccccc32)c(=O)n1-c1cccc2ccccc21 ZINC000020266239 553630379 /nfs/dbraw/zinc/63/03/79/553630379.db2.gz STEBRHMMJFARGA-PMERELPUSA-N -1 1 511.581 5.236 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])nc(N)nc1C(F)(F)F ZINC000071386385 553635738 /nfs/dbraw/zinc/63/57/38/553635738.db2.gz JYEYSLHFSJXJNW-UHFFFAOYSA-N -1 1 519.882 6.497 50 0 KKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])n1 ZINC000071386336 553635761 /nfs/dbraw/zinc/63/57/61/553635761.db2.gz USYOOFLDJDYVHT-UHFFFAOYSA-N -1 1 517.210 6.747 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490522 553660426 /nfs/dbraw/zinc/66/04/26/553660426.db2.gz JZXNGQCCHVHDFK-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490520 553660464 /nfs/dbraw/zinc/66/04/64/553660464.db2.gz JZXNGQCCHVHDFK-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490540 553660691 /nfs/dbraw/zinc/66/06/91/553660691.db2.gz NXLSZPDVDTUEMK-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490606 553661164 /nfs/dbraw/zinc/66/11/64/553661164.db2.gz NVCGDBMRMCIVKL-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020490648 553661170 /nfs/dbraw/zinc/66/11/70/553661170.db2.gz SFXFKDCTIODRTN-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1 ZINC000020490751 553661907 /nfs/dbraw/zinc/66/19/07/553661907.db2.gz JAFWQXFPRRPQSM-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490791 553662441 /nfs/dbraw/zinc/66/24/41/553662441.db2.gz ADUMCNZFXDWZJV-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000020490851 553662816 /nfs/dbraw/zinc/66/28/16/553662816.db2.gz DYHSCVCSYNGMJZ-AZGAKELHSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490901 553662968 /nfs/dbraw/zinc/66/29/68/553662968.db2.gz QNNTUXFSZAQWNF-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490954 553663282 /nfs/dbraw/zinc/66/32/82/553663282.db2.gz SLMAMSLHSSUSTE-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020490982 553663613 /nfs/dbraw/zinc/66/36/13/553663613.db2.gz GCDUNJJSKSNRPQ-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020491124 553663970 /nfs/dbraw/zinc/66/39/70/553663970.db2.gz ZUJCNGGHVVHLTL-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020491033 553664074 /nfs/dbraw/zinc/66/40/74/553664074.db2.gz UFTDCDJMMCDHKB-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491167 553664456 /nfs/dbraw/zinc/66/44/56/553664456.db2.gz VPFYQGZVLJLHBK-CLJLJLNGSA-N -1 1 512.635 5.572 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491236 553664703 /nfs/dbraw/zinc/66/47/03/553664703.db2.gz INLNTDZCGZSFMV-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491284 553665182 /nfs/dbraw/zinc/66/51/82/553665182.db2.gz WDTBQIKFJOOCLC-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000085876399 553689021 /nfs/dbraw/zinc/68/90/21/553689021.db2.gz MAICOOPCACCBHY-LJQANCHMSA-N -1 1 502.519 5.411 50 0 biogenic KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020903541 553701303 /nfs/dbraw/zinc/70/13/03/553701303.db2.gz XLHUGCIKYZNQDF-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020903551 553701318 /nfs/dbraw/zinc/70/13/18/553701318.db2.gz FSGMRYCZFQJSBK-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903574 553701467 /nfs/dbraw/zinc/70/14/67/553701467.db2.gz JQJLCIYTJJYTDV-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c(C)c1 ZINC000020903653 553701887 /nfs/dbraw/zinc/70/18/87/553701887.db2.gz BUROTVNHWWEMOV-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000020903716 553702321 /nfs/dbraw/zinc/70/23/21/553702321.db2.gz DZBZNCAPDSJWOW-FTJBHMTQSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020903783 553702519 /nfs/dbraw/zinc/70/25/19/553702519.db2.gz CMGWRYVSSXMSRR-LOSJGSFVSA-N -1 1 518.589 5.705 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903770 553702683 /nfs/dbraw/zinc/70/26/83/553702683.db2.gz PGTIRROQRYQBAT-KAYWLYCHSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904080 553703693 /nfs/dbraw/zinc/70/36/93/553703693.db2.gz NTDHYMJLBZESFT-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096021866 553717950 /nfs/dbraw/zinc/71/79/50/553717950.db2.gz HSKMJHDVKPRRAP-UHFFFAOYSA-N -1 1 608.116 5.744 50 0 KKAAMM CC(C)(C)P(=NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)(N1CCCCCC1)N1CCCCCC1 ZINC000096022650 553722101 /nfs/dbraw/zinc/72/21/01/553722101.db2.gz BNEXGEZRRREMTJ-UHFFFAOYSA-N -1 1 624.257 8.419 50 0 KKAAMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000097946450 553779520 /nfs/dbraw/zinc/77/95/20/553779520.db2.gz XNUHCCCKIQZJNN-FMCGGJTJSA-N -1 1 538.481 7.754 50 0 KKAAMM Cc1sc2[n-]c(=S)n(NC(=O)[C@@H](C)Oc3ccc(Br)cc3Cl)c(=O)c2c1-c1ccccc1 ZINC000097948060 553790830 /nfs/dbraw/zinc/79/08/30/553790830.db2.gz ZLPZFXFXKKNEHA-LLVKDONJSA-N -1 1 550.887 6.050 50 0 KKAAMM O=C1c2c(c(Br)c(Br)c(Br)c2Br)C(=O)N1c1cc(Cl)ccc1[O-] ZINC000097948644 553795519 /nfs/dbraw/zinc/79/55/19/553795519.db2.gz MWTVZKHYWXQXJW-UHFFFAOYSA-N -1 1 589.259 5.896 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000097949544 553802226 /nfs/dbraw/zinc/80/22/26/553802226.db2.gz VRGMVZWVGLTJND-HSZRJFAPSA-N -1 1 543.407 6.192 50 0 KKAAMM CC(C)CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000097949777 553803133 /nfs/dbraw/zinc/80/31/33/553803133.db2.gz QVCVWUUUIYOSOM-FQEVSTJZSA-N -1 1 548.298 7.616 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951624 553810195 /nfs/dbraw/zinc/81/01/95/553810195.db2.gz XRTRWZAHKQTWPE-DBXWQHBBSA-N -1 1 533.717 6.011 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2NCc2ccc(F)cc2)c1 ZINC000029748863 553850153 /nfs/dbraw/zinc/85/01/53/553850153.db2.gz YURSZSXWMAPZSL-UHFFFAOYSA-N -1 1 592.668 5.349 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000097960027 553867589 /nfs/dbraw/zinc/86/75/89/553867589.db2.gz UTGIOMQRIOMBEE-UHFFFAOYSA-N -1 1 520.385 6.622 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097965180 553903400 /nfs/dbraw/zinc/90/34/00/553903400.db2.gz BQWHNOAIHYJWSK-CWJACEIZSA-N -1 1 739.917 9.103 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000033357634 553949724 /nfs/dbraw/zinc/94/97/24/553949724.db2.gz RVTUWLRLFOIAMS-DNQXCXABSA-N -1 1 563.477 5.636 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097971223 553961666 /nfs/dbraw/zinc/96/16/66/553961666.db2.gz FEIUURSBSRXRLE-NZNJYOSJSA-N -1 1 670.143 7.035 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)C2=O)cc1C ZINC000097980480 553989038 /nfs/dbraw/zinc/98/90/38/553989038.db2.gz PRWMUZAAPOLJFY-MTDXEUNCSA-N -1 1 558.059 6.398 50 0 KKAAMM Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000097980529 553989671 /nfs/dbraw/zinc/98/96/71/553989671.db2.gz FUZSYJMMEZHNGT-CEUNXORHSA-N -1 1 586.113 7.213 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000097981278 553992642 /nfs/dbraw/zinc/99/26/42/553992642.db2.gz MOFWFERLUAXKGP-UHFFFAOYSA-N -1 1 531.453 5.512 50 0 KKAAMM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000097981391 553993547 /nfs/dbraw/zinc/99/35/47/553993547.db2.gz OSRAPIOVMPWTRR-HTXNQAPBSA-N -1 1 538.585 5.661 50 0 KKAAMM CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2Cl)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000097982375 554001964 /nfs/dbraw/zinc/00/19/64/554001964.db2.gz RDSOEEFGXKHXMI-UHFFFAOYSA-N -1 1 565.092 5.262 50 0 KKAAMM CC(C)(C)P(=NC(=S)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)(N1CCCCCC1)N1CCCCCC1 ZINC000097984149 554014324 /nfs/dbraw/zinc/01/43/24/554014324.db2.gz BCLSZUJDJBXDMV-UHFFFAOYSA-N -1 1 658.702 9.073 50 0 KKAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000035910502 554094233 /nfs/dbraw/zinc/09/42/33/554094233.db2.gz BEVGGBVLKCJYJF-JOCHJYFZSA-N -1 1 503.443 5.337 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000035910966 554094524 /nfs/dbraw/zinc/09/45/24/554094524.db2.gz LDLMWCPHAKOPRS-JOCHJYFZSA-N -1 1 503.443 5.337 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000098021352 554118074 /nfs/dbraw/zinc/11/80/74/554118074.db2.gz QUELNRGZLXIWSB-QHCPKHFHSA-N -1 1 533.469 5.427 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000098046402 554138618 /nfs/dbraw/zinc/13/86/18/554138618.db2.gz JFOFSQDNWQSTIE-UEXGIBASSA-N -1 1 543.723 5.466 50 0 KKAAMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c2cc(C)ccc2C)cc1 ZINC000098048372 554161568 /nfs/dbraw/zinc/16/15/68/554161568.db2.gz JTBALUDPGIILRG-UHFFFAOYSA-N -1 1 577.728 5.555 50 0 KKAAMM COc1ccc(CNc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000098049721 554168567 /nfs/dbraw/zinc/16/85/67/554168567.db2.gz YPICERWOHVSZPK-UHFFFAOYSA-N -1 1 586.714 5.079 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000100065345 554199421 /nfs/dbraw/zinc/19/94/21/554199421.db2.gz NQVHPQNNMADWPB-UHFFFAOYSA-N -1 1 570.649 6.794 50 0 KKAAMM CCc1ccc(-n2[n-]c(C)c(C(c3c(C)[nH]n(-c4ccc(CC)cc4)c3=O)c3ccccc3O)c2=O)cc1 ZINC000100088485 554210017 /nfs/dbraw/zinc/21/00/17/554210017.db2.gz IIFUDFZIFJUYME-UHFFFAOYSA-N -1 1 508.622 6.097 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000040484948 554287099 /nfs/dbraw/zinc/28/70/99/554287099.db2.gz SNILAEDHFMHLOL-DQEYMECFSA-N -1 1 518.589 5.760 50 0 KKAAMM COCCNC(=O)c1ccc(NCCc2ccc(Cl)cc2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000049709716 554324444 /nfs/dbraw/zinc/32/44/44/554324444.db2.gz YNFMZPYRRMYMQV-UHFFFAOYSA-N -1 1 556.006 5.190 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000053333465 554339358 /nfs/dbraw/zinc/33/93/58/554339358.db2.gz CHLGRHYOAZUUDU-QFIPXVFZSA-N -1 1 567.395 7.482 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100427213 554389853 /nfs/dbraw/zinc/38/98/53/554389853.db2.gz ONNWDLRHHCJWMK-WKRVVKTRSA-N -1 1 510.590 6.419 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100427210 554389880 /nfs/dbraw/zinc/38/98/80/554389880.db2.gz ONNWDLRHHCJWMK-UVDDSOTQSA-N -1 1 510.590 6.419 50 0 KKAAMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059647263 554417731 /nfs/dbraw/zinc/41/77/31/554417731.db2.gz SOPRDQMBLPIGQR-UHFFFAOYSA-N -1 1 629.760 6.182 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccccc1 ZINC000100617207 554432849 /nfs/dbraw/zinc/43/28/49/554432849.db2.gz CQAQRHAZDXSJIY-UHFFFAOYSA-N -1 1 572.665 6.854 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OC(=O)c1ccc(Cl)cc1 ZINC000100617302 554432876 /nfs/dbraw/zinc/43/28/76/554432876.db2.gz UEWOTJYYTWJLFD-UHFFFAOYSA-N -1 1 591.067 7.139 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1C(F)(F)F ZINC000100617215 554432887 /nfs/dbraw/zinc/43/28/87/554432887.db2.gz RJIVGDNWMOFMDQ-UHFFFAOYSA-N -1 1 504.512 6.285 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101097928 554584913 /nfs/dbraw/zinc/58/49/13/554584913.db2.gz YCFGIEJBOWXYAF-NLDZOOGBSA-N -1 1 514.622 5.878 50 0 KKAAMM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000101179476 554665985 /nfs/dbraw/zinc/66/59/85/554665985.db2.gz NSEJNWAPSCOJBY-QODLHPCFSA-N -1 1 534.999 6.098 50 0 KKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2oc1-c1nc(-c2cccc(Br)c2)no1 ZINC000101277508 554703992 /nfs/dbraw/zinc/70/39/92/554703992.db2.gz GXTXECGZWZBDGE-UHFFFAOYSA-N -1 1 524.396 6.330 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289772 554707278 /nfs/dbraw/zinc/70/72/78/554707278.db2.gz PRYQXODTZYFFOR-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101289994 554707478 /nfs/dbraw/zinc/70/74/78/554707478.db2.gz MTASDKGEWMLXGR-JWQCQUIFSA-N -1 1 551.043 5.974 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101290185 554707696 /nfs/dbraw/zinc/70/76/96/554707696.db2.gz HEPKBOKQFUFVDX-DQEYMECFSA-N -1 1 533.053 5.917 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290209 554707718 /nfs/dbraw/zinc/70/77/18/554707718.db2.gz IWVXXYRKBVWSRK-RRPNLBNLSA-N -1 1 542.661 5.580 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290571 554708038 /nfs/dbraw/zinc/70/80/38/554708038.db2.gz AVWVHAJHJGIQTO-UIOOFZCWSA-N -1 1 547.080 6.225 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101291704 554708609 /nfs/dbraw/zinc/70/86/09/554708609.db2.gz VQVIDJQLNDFBRO-LOSJGSFVSA-N -1 1 551.043 6.056 50 0 KKAAMM Cc1ccc(C)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101292914 554709647 /nfs/dbraw/zinc/70/96/47/554709647.db2.gz KCQBCZGLFKXDPE-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101294164 554710656 /nfs/dbraw/zinc/71/06/56/554710656.db2.gz YLHYPNWUGFATRM-ZEQRLZLVSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101294210 554710836 /nfs/dbraw/zinc/71/08/36/554710836.db2.gz ONPGTSBTLYCDDT-JWQCQUIFSA-N -1 1 551.043 5.974 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1OC ZINC000101294671 554711223 /nfs/dbraw/zinc/71/12/23/554711223.db2.gz MTOKBBPLAYXZMX-JYFHCDHNSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101294808 554711543 /nfs/dbraw/zinc/71/15/43/554711543.db2.gz BZTQOTYLQTYJFR-SQHAQQRYSA-N -1 1 558.660 5.199 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(SC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101294711 554711553 /nfs/dbraw/zinc/71/15/53/554711553.db2.gz LDTOQJNNKGDOSB-JWQCQUIFSA-N -1 1 530.675 5.595 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(SC)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101294701 554711562 /nfs/dbraw/zinc/71/15/62/554711562.db2.gz LDTOQJNNKGDOSB-RPBOFIJWSA-N -1 1 530.675 5.595 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101397521 554758747 /nfs/dbraw/zinc/75/87/47/554758747.db2.gz KDPSBXQDVQVWFS-WKRVVKTRSA-N -1 1 554.599 5.897 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101429039 554769609 /nfs/dbraw/zinc/76/96/09/554769609.db2.gz GVJOJFVBRJNPHD-CAQRMWTPSA-N -1 1 580.681 7.186 50 0 KKAAMM CC(=O)Oc1c(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(-c2ccc(N(C)C)cc2)nn1-c1ccc(C)cc1C ZINC000101583355 554801191 /nfs/dbraw/zinc/80/11/91/554801191.db2.gz UVWRXHXVRKRBJU-UHFFFAOYSA-N -1 1 615.155 7.269 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1F ZINC000101616358 554806120 /nfs/dbraw/zinc/80/61/20/554806120.db2.gz VQRWNPZFCOEXRS-UHFFFAOYSA-N -1 1 604.638 6.633 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000101616375 554806127 /nfs/dbraw/zinc/80/61/27/554806127.db2.gz VUPSPZGOTMZWKA-UHFFFAOYSA-N -1 1 600.675 6.802 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccccc2Cl)cc1 ZINC000101616436 554806212 /nfs/dbraw/zinc/80/62/12/554806212.db2.gz HJAOLYLZOYNXOI-UHFFFAOYSA-N -1 1 591.067 7.139 50 0 KKAAMM CCN(CCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)c1cccc(C)c1 ZINC000101689288 554830473 /nfs/dbraw/zinc/83/04/73/554830473.db2.gz HVHNYKROLVSHOK-UHFFFAOYSA-N -1 1 548.753 5.741 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101969204 554854542 /nfs/dbraw/zinc/85/45/42/554854542.db2.gz UAIWNNGNGKIUEH-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969234 554854561 /nfs/dbraw/zinc/85/45/61/554854561.db2.gz XLGYOYIMKQPLNJ-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969426 554855034 /nfs/dbraw/zinc/85/50/34/554855034.db2.gz PDHYTTLTUYPLOP-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969550 554855324 /nfs/dbraw/zinc/85/53/24/554855324.db2.gz KOUZXTFINNESJE-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969558 554855366 /nfs/dbraw/zinc/85/53/66/554855366.db2.gz KOUZXTFINNESJE-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969604 554855386 /nfs/dbraw/zinc/85/53/86/554855386.db2.gz RQFARRUFUCJHBJ-UKILVPOCSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969727 554855577 /nfs/dbraw/zinc/85/55/77/554855577.db2.gz QIPYTPWFLKIGJO-NOZRDPDXSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969803 554855937 /nfs/dbraw/zinc/85/59/37/554855937.db2.gz UEBNWDMAIORZJJ-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969942 554856173 /nfs/dbraw/zinc/85/61/73/554856173.db2.gz FEFXKZVJFBJRDL-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101970153 554856445 /nfs/dbraw/zinc/85/64/45/554856445.db2.gz SCHWHVQLZZVHIK-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101970032 554856554 /nfs/dbraw/zinc/85/65/54/554856554.db2.gz DQNIRWDQVVDXFW-AOYPEHQESA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101970301 554856872 /nfs/dbraw/zinc/85/68/72/554856872.db2.gz OBYPRLXECXKBTO-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970233 554856877 /nfs/dbraw/zinc/85/68/77/554856877.db2.gz VAJWDAYRXLRPPL-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101970405 554857162 /nfs/dbraw/zinc/85/71/62/554857162.db2.gz SBYVOZUQPMQWGV-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970533 554857193 /nfs/dbraw/zinc/85/71/93/554857193.db2.gz PHKSWHKLTNTDDX-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970535 554857685 /nfs/dbraw/zinc/85/76/85/554857685.db2.gz PHKSWHKLTNTDDX-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970959 554858618 /nfs/dbraw/zinc/85/86/18/554858618.db2.gz SUMRMHUYBBBBGY-AZGAKELHSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101971295 554859131 /nfs/dbraw/zinc/85/91/31/554859131.db2.gz UHIDQCPXWCPHQP-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc(OC)c1 ZINC000101971375 554859246 /nfs/dbraw/zinc/85/92/46/554859246.db2.gz JHZLBCRCRULECL-UIOOFZCWSA-N -1 1 546.624 5.329 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971579 554859510 /nfs/dbraw/zinc/85/95/10/554859510.db2.gz BHMNMOJCOFOZRE-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971573 554859581 /nfs/dbraw/zinc/85/95/81/554859581.db2.gz BHMNMOJCOFOZRE-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101971657 554859648 /nfs/dbraw/zinc/85/96/48/554859648.db2.gz IVUCVDPPGUASIB-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972065 554860031 /nfs/dbraw/zinc/86/00/31/554860031.db2.gz VOUDDNJPKMXAMR-JYFHCDHNSA-N -1 1 526.618 5.156 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972286 554860056 /nfs/dbraw/zinc/86/00/56/554860056.db2.gz UGQZBGRTUUDXMX-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972431 554860491 /nfs/dbraw/zinc/86/04/91/554860491.db2.gz CNCLWJWPIKNDLC-RPWUZVMVSA-N -1 1 538.551 5.290 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000101972941 554861309 /nfs/dbraw/zinc/86/13/09/554861309.db2.gz KLFIORCHWRKOSF-BJKOFHAPSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972849 554861366 /nfs/dbraw/zinc/86/13/66/554861366.db2.gz COEUBSGLPNJJLL-BJKOFHAPSA-N -1 1 539.007 6.105 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972813 554861374 /nfs/dbraw/zinc/86/13/74/554861374.db2.gz ZVXCKPAFIDYZPR-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972874 554861434 /nfs/dbraw/zinc/86/14/34/554861434.db2.gz JECXYYWWAGTLLY-DHLKQENFSA-N -1 1 530.581 5.041 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c1 ZINC000101973242 554861978 /nfs/dbraw/zinc/86/19/78/554861978.db2.gz UPUHOXRZJOOEBE-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c1 ZINC000101973251 554862020 /nfs/dbraw/zinc/86/20/20/554862020.db2.gz UPUHOXRZJOOEBE-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101973465 554862297 /nfs/dbraw/zinc/86/22/97/554862297.db2.gz BDVDSHYZXIFYFN-RDGATRHJSA-N -1 1 530.581 5.041 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101973458 554862324 /nfs/dbraw/zinc/86/23/24/554862324.db2.gz BDVDSHYZXIFYFN-DHLKQENFSA-N -1 1 530.581 5.041 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101973485 554862342 /nfs/dbraw/zinc/86/23/42/554862342.db2.gz AKSBMUZPEGOFFP-DQEYMECFSA-N -1 1 534.588 5.460 50 0 KKAAMM O=C(Nc1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c(Cl)c1)c1ccc2ccccc2c1[O-] ZINC000102042132 554869721 /nfs/dbraw/zinc/86/97/21/554869721.db2.gz PDTNGKAWHMJYRA-UHFFFAOYSA-N -1 1 580.638 7.865 50 0 KKAAMM O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000102043074 554870013 /nfs/dbraw/zinc/87/00/13/554870013.db2.gz DMJIVOAACVKYCF-HZPDHXFCSA-N -1 1 531.783 5.246 50 0 KKAAMM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc(I)c1O ZINC000102084856 554876285 /nfs/dbraw/zinc/87/62/85/554876285.db2.gz ZZBIKJGJJNREBG-JOCHJYFZSA-N -1 1 561.445 5.444 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1ccc(F)c(F)c1 ZINC000102278571 554906574 /nfs/dbraw/zinc/90/65/74/554906574.db2.gz SZFBWWLWCUWROW-UHFFFAOYSA-N -1 1 527.940 5.381 50 0 KKAAMM COc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)[N-]c3ccccc3)c2)c(Cl)c1OC ZINC000102398816 554919509 /nfs/dbraw/zinc/91/95/09/554919509.db2.gz XYFGLMMHLVLSFL-UHFFFAOYSA-N -1 1 544.073 5.443 50 0 KKAAMM COc1cccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)c1OC ZINC000102412637 554923938 /nfs/dbraw/zinc/92/39/38/554923938.db2.gz UMFTTWBYXLOBHH-DEOSSOPVSA-N -1 1 626.554 7.212 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102413951 554924350 /nfs/dbraw/zinc/92/43/50/554924350.db2.gz JSJWKXGETMLMLV-HSZRJFAPSA-N -1 1 610.511 6.923 50 0 KKAAMM COc1ccccc1CCN1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)C1(C)C ZINC000102413855 554924387 /nfs/dbraw/zinc/92/43/87/554924387.db2.gz ANMRYVCVEQSFKU-DEOSSOPVSA-N -1 1 610.555 7.246 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@H](c2ccc(C)o2)c2cccc(Br)c2)cc1OC ZINC000102418503 554925102 /nfs/dbraw/zinc/92/51/02/554925102.db2.gz JCHHBSHTEPXYKL-HHHXNRCGSA-N -1 1 556.478 6.657 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@H](c2ccc(C)o2)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000102550358 554961262 /nfs/dbraw/zinc/96/12/62/554961262.db2.gz GDBHBZRLSBCGAW-MGBGTMOVSA-N -1 1 553.680 7.562 50 0 KKAAMM 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50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc(F)c(F)cc1Cl ZINC000103049744 555232025 /nfs/dbraw/zinc/23/20/25/555232025.db2.gz OOGNHGMXRDEMJL-UHFFFAOYSA-N -1 1 559.944 6.290 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc(C(F)(F)F)cc1 ZINC000103049765 555232033 /nfs/dbraw/zinc/23/20/33/555232033.db2.gz AYQCTAIEWQRIOJ-UHFFFAOYSA-N -1 1 557.516 6.378 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3Br)ccc2N2CCCCC2)cc1 ZINC000103050180 555232463 /nfs/dbraw/zinc/23/24/63/555232463.db2.gz UVGRKZKINJDGRM-UHFFFAOYSA-N -1 1 544.471 5.501 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OCc3ccc(F)cc3)ccc2N2CCCCC2)cc1 ZINC000103050119 555232541 /nfs/dbraw/zinc/23/25/41/555232541.db2.gz FRQGBAHIXVEBIB-UHFFFAOYSA-N -1 1 589.689 6.457 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C[C@@H](C)CC2 ZINC000103098482 555275749 /nfs/dbraw/zinc/27/57/49/555275749.db2.gz VKYRIPNKPRTPEP-HOTGVXAUSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C(=O)N1c1ccccc1 ZINC000103410227 555396295 /nfs/dbraw/zinc/39/62/95/555396295.db2.gz ATDXNMQHJCOBMH-UHFFFAOYSA-N -1 1 563.607 5.755 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103410274 555396376 /nfs/dbraw/zinc/39/63/76/555396376.db2.gz CVERUDJAJLVPHM-UHFFFAOYSA-N -1 1 576.099 6.438 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000103422143 555403168 /nfs/dbraw/zinc/40/31/68/555403168.db2.gz RHSJXHLCTQELMU-UHFFFAOYSA-N -1 1 555.681 6.093 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)c3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000103439359 555419126 /nfs/dbraw/zinc/41/91/26/555419126.db2.gz VMDNQBGGFSNSQZ-UHFFFAOYSA-N -1 1 613.639 6.392 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)C(=O)N(c3cc(C)ccc3OC)C2=O)cc1 ZINC000103439427 555419454 /nfs/dbraw/zinc/41/94/54/555419454.db2.gz PVPPRFLEPKRSOI-UHFFFAOYSA-N -1 1 615.733 6.111 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000103439742 555419760 /nfs/dbraw/zinc/41/97/60/555419760.db2.gz ISJIUSXUGLXACI-UHFFFAOYSA-N -1 1 613.614 6.635 50 0 KKAAMM O=C1C(Nc2ccccc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000103439647 555419826 /nfs/dbraw/zinc/41/98/26/555419826.db2.gz BUVIQWWJKSAIHY-UHFFFAOYSA-N -1 1 595.624 6.495 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137961489 571450908 /nfs/dbraw/zinc/45/09/08/571450908.db2.gz PFQZZQCRQNQZAQ-ZGIBFIJWSA-N -1 1 514.622 5.932 50 0 KKAAMM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000140343476 571455486 /nfs/dbraw/zinc/45/54/86/571455486.db2.gz BHBHKCZYVVXWFQ-UHFFFAOYSA-N -1 1 530.977 5.899 50 0 KKAAMM O=C1[C@H](Cc2cc(I)c(Oc3cc(I)c([O-])c(I)c3)c(I)c2)NC(=S)N1c1ccccc1 ZINC000150349646 571461659 /nfs/dbraw/zinc/46/16/59/571461659.db2.gz GLHGFRPAXRYBBK-SFHVURJKSA-N -1 1 894.048 6.435 50 0 biogenic KKAAMM COc1cc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc(OC)c1OC ZINC000150401218 571478246 /nfs/dbraw/zinc/47/82/46/571478246.db2.gz IXEFOXKOKWNKSX-VWLOTQADSA-N -1 1 656.580 7.220 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)ccc2NCc2ccccc2Cl)c1 ZINC000150407470 571480131 /nfs/dbraw/zinc/48/01/31/571480131.db2.gz CVGZDBRRYGPJJS-UHFFFAOYSA-N -1 1 695.238 5.745 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000150407881 571480437 /nfs/dbraw/zinc/48/04/37/571480437.db2.gz XVCLQFRRGBNHFU-UHFFFAOYSA-N -1 1 671.886 5.615 50 0 KKAAMM Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3ccc(N4CCOCC4)c(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)cc12 ZINC000150409873 571482217 /nfs/dbraw/zinc/48/22/17/571482217.db2.gz MGRLADYGKLOEPO-UHFFFAOYSA-N -1 1 676.142 6.957 50 0 KKAAMM COc1ccc2cc(-c3cc(C(=O)Nc4cc(S(=O)(=O)[N-]c5ccccc5OC)ccc4N4CCOCC4)c4ccccc4n3)ccc2c1 ZINC000150422005 571488102 /nfs/dbraw/zinc/48/81/02/571488102.db2.gz SFKNRVVOVUMWNS-UHFFFAOYSA-N -1 1 674.779 6.962 50 0 KKAAMM COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000150443727 571499331 /nfs/dbraw/zinc/49/93/31/571499331.db2.gz DQRGIZOMOQQUHB-TUBDMRIBSA-N -1 1 642.177 7.595 50 0 KKAAMM O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1)[N-]C(=O)c1ccc(Cl)cc1 ZINC000150500767 571518654 /nfs/dbraw/zinc/51/86/54/571518654.db2.gz NHWUUQAGAZIDTR-UHFFFAOYSA-N -1 1 631.921 6.156 50 0 KKAAMM CC1(C)[C@H](C(=O)[N-][C@@H](Nc2cc(C(F)(F)F)ccc2Cl)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000216085394 571592567 /nfs/dbraw/zinc/59/25/67/571592567.db2.gz BLUIZLPURCWKDQ-CWONEXCFSA-N -1 1 533.032 7.174 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000263584999 572115785 /nfs/dbraw/zinc/11/57/85/572115785.db2.gz 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ORAYZXJFIUGVAV-UHFFFAOYSA-N -1 1 538.481 7.029 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(S(=O)(=O)c3cccc(C)c3C)c3c4c(cccc42)C(=O)N3)c1C ZINC000008767238 553139771 /nfs/dbraw/zinc/13/97/71/553139771.db2.gz BKGOCYAKYYFEDT-UHFFFAOYSA-N -1 1 520.632 5.273 50 0 KKAAMM CCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000008926409 553191300 /nfs/dbraw/zinc/19/13/00/553191300.db2.gz FIXSUWFORFGTRJ-SFHVURJKSA-N -1 1 520.244 6.980 50 0 KKAAMM CCCCCN1C(=O)N(c2cccc3ccccc32)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000009144842 553213771 /nfs/dbraw/zinc/21/37/71/553213771.db2.gz OHRSUBUOSIAJRE-MUUNZHRXSA-N -1 1 510.638 7.453 50 0 KKAAMM CC(C)CCN1C(=O)N(c2cccc3ccccc32)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000009144970 553214000 /nfs/dbraw/zinc/21/40/00/553214000.db2.gz NUOFAWYGFFPGKV-MUUNZHRXSA-N -1 1 510.638 7.309 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000009432172 553261335 /nfs/dbraw/zinc/26/13/35/553261335.db2.gz ADNYJDXIDPZVNO-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000009432176 553261584 /nfs/dbraw/zinc/26/15/84/553261584.db2.gz BAWMNCLPBFPZRQ-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432184 553261676 /nfs/dbraw/zinc/26/16/76/553261676.db2.gz BPCMKJATVPZIDI-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009432266 553262110 /nfs/dbraw/zinc/26/21/10/553262110.db2.gz OMWATHXHDDRULR-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000009432300 553262397 /nfs/dbraw/zinc/26/23/97/553262397.db2.gz MTJVMNJNJOEMJG-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000009445305 553265083 /nfs/dbraw/zinc/26/50/83/553265083.db2.gz BROYJOTZYYVQTN-UHFFFAOYSA-N -1 1 509.653 5.732 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2NCc2ccc(F)cc2)c1 ZINC000009490102 553273492 /nfs/dbraw/zinc/27/34/92/553273492.db2.gz QEGGIXTUSAPIQF-WOJBJXKFSA-N -1 1 525.646 5.365 50 0 KKAAMM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2Cl)s1 ZINC000009597252 553283513 /nfs/dbraw/zinc/28/35/13/553283513.db2.gz VGLAOZZZHNBDEF-LADGPHEKSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000009597260 553283524 /nfs/dbraw/zinc/28/35/24/553283524.db2.gz IYXVJHFBFHFPAF-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000009597258 553283577 /nfs/dbraw/zinc/28/35/77/553283577.db2.gz IYXVJHFBFHFPAF-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009597378 553283734 /nfs/dbraw/zinc/28/37/34/553283734.db2.gz DSZXWLFSRIZUAJ-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679582 553296386 /nfs/dbraw/zinc/29/63/86/553296386.db2.gz XLSQGSNCWHFQOI-JOCHJYFZSA-N -1 1 508.397 5.827 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2ccc(Br)cc2)cc1 ZINC000009679582 553296388 /nfs/dbraw/zinc/29/63/88/553296388.db2.gz XLSQGSNCWHFQOI-JOCHJYFZSA-N -1 1 508.397 5.827 50 0 KKAAMM O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)cc1)c1cc(Cl)ccc1[O-] ZINC000011617269 553339851 /nfs/dbraw/zinc/33/98/51/553339851.db2.gz VGXPBWCSRZXXQV-UHFFFAOYSA-N -1 1 509.345 6.702 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCc3ccccc3Cl)[n-]2)cc1 ZINC000012112511 553351477 /nfs/dbraw/zinc/35/14/77/553351477.db2.gz XMMZRFXOGQWMNI-UHFFFAOYSA-N -1 1 512.056 5.280 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012252385 553355702 /nfs/dbraw/zinc/35/57/02/553355702.db2.gz QJCHXLNESUHRGK-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(c1c(C)[nH]n(-c2cccc(Cl)c2)c1=O)c1ccc(C)cc1 ZINC000012311220 553357193 /nfs/dbraw/zinc/35/71/93/553357193.db2.gz MCOYFAMQKVBLKV-UHFFFAOYSA-N -1 1 519.432 6.881 50 0 KKAAMM Cc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012589248 553399990 /nfs/dbraw/zinc/39/99/90/553399990.db2.gz DILLIMMIHXACAL-UHFFFAOYSA-N -1 1 514.047 5.457 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])C1(c2ccc(Cl)cc2)CCCC1 ZINC000012589828 553400267 /nfs/dbraw/zinc/40/02/67/553400267.db2.gz ZLXFNYLMXXDPRB-UHFFFAOYSA-N -1 1 505.423 5.950 50 0 KKAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c(OC)c1 ZINC000013936179 553495980 /nfs/dbraw/zinc/49/59/80/553495980.db2.gz BUZUBJIMWJHUDP-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000015838076 553537671 /nfs/dbraw/zinc/53/76/71/553537671.db2.gz MBDKXZSIMWMEOP-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM Cc1ccc(NC(=O)CSc2nc3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3s2)cc1 ZINC000015838843 553537691 /nfs/dbraw/zinc/53/76/91/553537691.db2.gz ZWVNJPPVPDXYDD-UHFFFAOYSA-N -1 1 505.593 5.415 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(Cl)c1 ZINC000020134639 553592917 /nfs/dbraw/zinc/59/29/17/553592917.db2.gz VAEJEMKZFYBGCK-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020135122 553593213 /nfs/dbraw/zinc/59/32/13/553593213.db2.gz DHSXOTHNKPFALJ-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM O=c1c([C@@H]2NCCc3ccccc32)c([O-])n(-c2cccc3ccccc32)c(=O)n1-c1cccc2ccccc21 ZINC000020266236 553630368 /nfs/dbraw/zinc/63/03/68/553630368.db2.gz STEBRHMMJFARGA-SSEXGKCCSA-N -1 1 511.581 5.236 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490508 553660458 /nfs/dbraw/zinc/66/04/58/553660458.db2.gz DIARCSKNTKSRMF-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490562 553660629 /nfs/dbraw/zinc/66/06/29/553660629.db2.gz JMFBYYCWIZEXNI-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490544 553660671 /nfs/dbraw/zinc/66/06/71/553660671.db2.gz SEPNIRJRMNYOTF-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490588 553660774 /nfs/dbraw/zinc/66/07/74/553660774.db2.gz SFROHCJSYFUVCY-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490614 553661102 /nfs/dbraw/zinc/66/11/02/553661102.db2.gz YBXCZETZKRUQLK-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490612 553661216 /nfs/dbraw/zinc/66/12/16/553661216.db2.gz YBXCZETZKRUQLK-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490712 553661686 /nfs/dbraw/zinc/66/16/86/553661686.db2.gz SENQOYBAHGIOGU-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000020490725 553661916 /nfs/dbraw/zinc/66/19/16/553661916.db2.gz HSJWZLIWPHMEET-XZOQPEGZSA-N -1 1 508.525 5.282 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020490739 553662089 /nfs/dbraw/zinc/66/20/89/553662089.db2.gz YQRQUBLMJMPKLT-XZOQPEGZSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490877 553662728 /nfs/dbraw/zinc/66/27/28/553662728.db2.gz VRFQNEOTZLZMDN-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490964 553663248 /nfs/dbraw/zinc/66/32/48/553663248.db2.gz QIWOJPPUVCUHNC-UKILVPOCSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020491000 553663569 /nfs/dbraw/zinc/66/35/69/553663569.db2.gz CPCVBPZVICWZLZ-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020491044 553664000 /nfs/dbraw/zinc/66/40/00/553664000.db2.gz JHRMQBKGLBLMCH-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020491043 553664029 /nfs/dbraw/zinc/66/40/29/553664029.db2.gz JHRMQBKGLBLMCH-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020491120 553664039 /nfs/dbraw/zinc/66/40/39/553664039.db2.gz ZUJCNGGHVVHLTL-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020491088 553664112 /nfs/dbraw/zinc/66/41/12/553664112.db2.gz NRTDNCXOJQFSDS-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491214 553664412 /nfs/dbraw/zinc/66/44/12/553664412.db2.gz GAOBVNDDBUTYPI-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491332 553665242 /nfs/dbraw/zinc/66/52/42/553665242.db2.gz CGYCADBPENOALF-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccccc1-n1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000089696993 553694195 /nfs/dbraw/zinc/69/41/95/553694195.db2.gz KULNUQMRIMXPMD-UHFFFAOYSA-N -1 1 500.601 5.809 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000020850103 553699732 /nfs/dbraw/zinc/69/97/32/553699732.db2.gz FTHDGKJFTNYXTI-SVBPBHIXSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000020903694 553701816 /nfs/dbraw/zinc/70/18/16/553701816.db2.gz KSTJXKIXKSLFIP-IZZNHLLZSA-N -1 1 512.635 5.436 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903676 553701848 /nfs/dbraw/zinc/70/18/48/553701848.db2.gz UUDFFBRMYLXAHP-LOSJGSFVSA-N -1 1 516.598 5.402 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000020903686 553701919 /nfs/dbraw/zinc/70/19/19/553701919.db2.gz DHKXZEYAHNJODV-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903664 553701926 /nfs/dbraw/zinc/70/19/26/553701926.db2.gz ODFYAKRZXCGTSE-DHIUTWEWSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000020903678 553701983 /nfs/dbraw/zinc/70/19/83/553701983.db2.gz GAQGYJYKSKOBCN-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020903730 553702211 /nfs/dbraw/zinc/70/22/11/553702211.db2.gz IWNYRWXEYKZBHA-DQEYMECFSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020903732 553702245 /nfs/dbraw/zinc/70/22/45/553702245.db2.gz IWNYRWXEYKZBHA-RPBOFIJWSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903734 553702285 /nfs/dbraw/zinc/70/22/85/553702285.db2.gz RLSNRDIVUZMRSQ-IZZNHLLZSA-N -1 1 514.626 5.874 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903737 553702312 /nfs/dbraw/zinc/70/23/12/553702312.db2.gz RLSNRDIVUZMRSQ-CLJLJLNGSA-N -1 1 514.626 5.874 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020903787 553702697 /nfs/dbraw/zinc/70/26/97/553702697.db2.gz CMGWRYVSSXMSRR-DQEYMECFSA-N -1 1 518.589 5.705 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)c1 ZINC000020904089 553703721 /nfs/dbraw/zinc/70/37/21/553703721.db2.gz NIDZTYRXNHLWLQ-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)C[C@H](C)CC2 ZINC000097948044 553790805 /nfs/dbraw/zinc/79/08/05/553790805.db2.gz ZLXUHHWIVGMAKX-CQSZACIVSA-N -1 1 550.127 5.923 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951503 553809353 /nfs/dbraw/zinc/80/93/53/553809353.db2.gz KUJHYLHIHDIPKG-DBXWQHBBSA-N -1 1 517.262 5.496 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCN(c2ccccc2)CC1 ZINC000097951907 553812044 /nfs/dbraw/zinc/81/20/44/553812044.db2.gz QVYFYKFFDYJJDH-UHFFFAOYSA-N -1 1 548.481 5.657 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4)ccc3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000029492128 553845545 /nfs/dbraw/zinc/84/55/45/553845545.db2.gz WFEQLGKOBCGQNR-UHFFFAOYSA-N -1 1 680.208 5.324 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000097960034 553868042 /nfs/dbraw/zinc/86/80/42/553868042.db2.gz FNCHAGMCNVIQMR-UHFFFAOYSA-N -1 1 565.729 7.019 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000097961702 553880308 /nfs/dbraw/zinc/88/03/08/553880308.db2.gz ATMWHTMWEKUIKR-UHFFFAOYSA-N -1 1 588.420 6.810 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000033357639 553949766 /nfs/dbraw/zinc/94/97/66/553949766.db2.gz YVYRRNWMJXMDSZ-DHIUTWEWSA-N -1 1 551.441 5.766 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000033357638 553949805 /nfs/dbraw/zinc/94/98/05/553949805.db2.gz YVYRRNWMJXMDSZ-XZOQPEGZSA-N -1 1 551.441 5.766 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000097978631 553975237 /nfs/dbraw/zinc/97/52/37/553975237.db2.gz XCHXBXKBTKKHFD-CLJLJLNGSA-N -1 1 528.703 6.149 50 0 KKAAMM C[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)/C(=C/c2ccccc2)C1 ZINC000097979044 553975812 /nfs/dbraw/zinc/97/58/12/553975812.db2.gz FZGNSUXAMWYJNF-ACXJOVJBSA-N -1 1 556.565 6.073 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)c1 ZINC000097980489 553988918 /nfs/dbraw/zinc/98/89/18/553988918.db2.gz JQMHFJIETBAFIQ-MWAVMZGNSA-N -1 1 710.794 5.344 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)C2=O)cc1C ZINC000097980493 553988946 /nfs/dbraw/zinc/98/89/46/553988946.db2.gz YDWNKEFUOZVQLE-MTDXEUNCSA-N -1 1 591.611 6.763 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)ccc1N1CCCC1 ZINC000097982922 554006587 /nfs/dbraw/zinc/00/65/87/554006587.db2.gz JSANYNHNYPULJE-UHFFFAOYSA-N -1 1 612.755 5.211 50 0 KKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000035671365 554062408 /nfs/dbraw/zinc/06/24/08/554062408.db2.gz DIWKOZKZVZKDNK-UHFFFAOYSA-N -1 1 501.336 6.642 50 0 KKAAMM O=C1CS[C@@H](c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)N1c1ccc(F)cc1 ZINC000035910264 554094219 /nfs/dbraw/zinc/09/42/19/554094219.db2.gz MQOSNIZBAWXITC-NRFANRHFSA-N -1 1 507.406 5.168 50 0 KKAAMM CCc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000035912516 554095994 /nfs/dbraw/zinc/09/59/94/554095994.db2.gz SXMKCEHDWDTAHD-HSZRJFAPSA-N -1 1 517.470 5.591 50 0 KKAAMM CCc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000035912515 554096035 /nfs/dbraw/zinc/09/60/35/554096035.db2.gz SXMKCEHDWDTAHD-QHCPKHFHSA-N -1 1 517.470 5.591 50 0 KKAAMM O=S(=O)([N-]c1cccc(-c2ccc(C(F)(F)F)cn2)c1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000059530778 554406708 /nfs/dbraw/zinc/40/67/08/554406708.db2.gz DBSLODWSJVQOEY-UHFFFAOYSA-N -1 1 573.902 7.428 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3)cc2)cc1 ZINC000059620609 554414173 /nfs/dbraw/zinc/41/41/73/554414173.db2.gz JGNPMNOMWSQPOU-UHFFFAOYSA-N -1 1 549.674 5.466 50 0 KKAAMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1c(C(C)C)cc(C)cc1C(C)C ZINC000100721869 554456097 /nfs/dbraw/zinc/45/60/97/554456097.db2.gz MCTUZDFGZOLQPG-UHFFFAOYSA-N -1 1 604.776 8.307 50 0 KKAAMM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1Cl ZINC000101070646 554575023 /nfs/dbraw/zinc/57/50/23/554575023.db2.gz QHONSMPLHQZFEO-PZJWPPBQSA-N -1 1 515.194 5.538 50 0 KKAAMM Cc1ccc(NC(=O)c2c(Cl)nc3sccn32)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000101079728 554578523 /nfs/dbraw/zinc/57/85/23/554578523.db2.gz QKEGLDVMUASADI-UHFFFAOYSA-N -1 1 525.837 5.173 50 0 KKAAMM Cc1c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2oc1-c1nc(-c2ccc(Br)cc2)no1 ZINC000101277511 554703880 /nfs/dbraw/zinc/70/38/80/554703880.db2.gz XOPDXYDYJJEKAB-UHFFFAOYSA-N -1 1 524.396 6.330 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1OC ZINC000101289811 554707418 /nfs/dbraw/zinc/70/74/18/554707418.db2.gz ORLZBKYMHZYZHG-BVAGGSTKSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000101289878 554707467 /nfs/dbraw/zinc/70/74/67/554707467.db2.gz NCAFUCPLMYBKIO-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101290010 554707686 /nfs/dbraw/zinc/70/76/86/554707686.db2.gz FGMMZSYLQINCLQ-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101290306 554707693 /nfs/dbraw/zinc/70/76/93/554707693.db2.gz YPCBDRVGXHKODS-CLJLJLNGSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101290303 554707746 /nfs/dbraw/zinc/70/77/46/554707746.db2.gz YPCBDRVGXHKODS-UIOOFZCWSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290575 554708080 /nfs/dbraw/zinc/70/80/80/554708080.db2.gz AVWVHAJHJGIQTO-CLJLJLNGSA-N -1 1 547.080 6.225 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1F ZINC000101291675 554708588 /nfs/dbraw/zinc/70/85/88/554708588.db2.gz MIIOEIUEMQKQSP-DNQXCXABSA-N -1 1 539.007 6.105 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292841 554709454 /nfs/dbraw/zinc/70/94/54/554709454.db2.gz MDYWGJUUYREVGN-DHIUTWEWSA-N -1 1 542.970 5.935 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292831 554709458 /nfs/dbraw/zinc/70/94/58/554709458.db2.gz MDYWGJUUYREVGN-GOTSBHOMSA-N -1 1 542.970 5.935 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292836 554709472 /nfs/dbraw/zinc/70/94/72/554709472.db2.gz MDYWGJUUYREVGN-PKTZIBPZSA-N -1 1 542.970 5.935 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293359 554709891 /nfs/dbraw/zinc/70/98/91/554709891.db2.gz LRWJQLXTKOEIOI-SQHAQQRYSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293407 554710022 /nfs/dbraw/zinc/71/00/22/554710022.db2.gz JTSYKCPHUCGHCJ-IZZNHLLZSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 ZINC000101294241 554710846 /nfs/dbraw/zinc/71/08/46/554710846.db2.gz RUFIAPQFHROTRI-FTJBHMTQSA-N -1 1 579.078 5.544 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1OC ZINC000101294667 554711238 /nfs/dbraw/zinc/71/12/38/554711238.db2.gz MTOKBBPLAYXZMX-BVAGGSTKSA-N -1 1 528.634 5.190 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101427237 554768938 /nfs/dbraw/zinc/76/89/38/554768938.db2.gz BKMCWUOLOMYKAQ-JRPXNJEYSA-N -1 1 542.563 6.027 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101429036 554769671 /nfs/dbraw/zinc/76/96/71/554769671.db2.gz GVJOJFVBRJNPHD-RBBQXQBVSA-N -1 1 580.681 7.186 50 0 KKAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4cccc(OC)c4)CC3)no2)cc1 ZINC000101534018 554795293 /nfs/dbraw/zinc/79/52/93/554795293.db2.gz LWXZOTXRHOYECL-UHFFFAOYSA-N -1 1 552.587 5.320 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101969364 554854736 /nfs/dbraw/zinc/85/47/36/554854736.db2.gz LSKCJZNYUZMMJZ-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969344 554854904 /nfs/dbraw/zinc/85/49/04/554854904.db2.gz BFSGBVDMLFPSNZ-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969462 554855098 /nfs/dbraw/zinc/85/50/98/554855098.db2.gz BNMGNNMWEYNDHQ-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969389 554855113 /nfs/dbraw/zinc/85/51/13/554855113.db2.gz XXYYDKNUKHNYCJ-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969754 554855586 /nfs/dbraw/zinc/85/55/86/554855586.db2.gz MEXXTCVXAHWIGC-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969859 554855812 /nfs/dbraw/zinc/85/58/12/554855812.db2.gz XRUYBOCNLRRRKL-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969806 554855894 /nfs/dbraw/zinc/85/58/94/554855894.db2.gz UEBNWDMAIORZJJ-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969886 554855900 /nfs/dbraw/zinc/85/59/00/554855900.db2.gz ZHAKMGNDXCJQMS-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969872 554855908 /nfs/dbraw/zinc/85/59/08/554855908.db2.gz LENJIMNNGGNCAF-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969949 554856180 /nfs/dbraw/zinc/85/61/80/554856180.db2.gz FEFXKZVJFBJRDL-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969992 554856186 /nfs/dbraw/zinc/85/61/86/554856186.db2.gz YRFHBVJHWHRHLB-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970130 554856468 /nfs/dbraw/zinc/85/64/68/554856468.db2.gz BEMALAIIJYNXAI-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000101970209 554856861 /nfs/dbraw/zinc/85/68/61/554856861.db2.gz NXUWYGXUNGMXRS-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970626 554857564 /nfs/dbraw/zinc/85/75/64/554857564.db2.gz ZNHLXQHXHHBMFC-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101970727 554858010 /nfs/dbraw/zinc/85/80/10/554858010.db2.gz VVDJODOZUYQODX-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000101970968 554858674 /nfs/dbraw/zinc/85/86/74/554858674.db2.gz RYSGOGRPSHTAMJ-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971249 554858883 /nfs/dbraw/zinc/85/88/83/554858883.db2.gz JDONOMXDAMBQBX-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101971146 554858933 /nfs/dbraw/zinc/85/89/33/554858933.db2.gz AVUJQYGRMVABTB-SVBPBHIXSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101971164 554858957 /nfs/dbraw/zinc/85/89/57/554858957.db2.gz AVUJQYGRMVABTB-KAYWLYCHSA-N -1 1 542.661 5.499 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971496 554859262 /nfs/dbraw/zinc/85/92/62/554859262.db2.gz ZTEJRTNBLKJYBB-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101971647 554859557 /nfs/dbraw/zinc/85/95/57/554859557.db2.gz IVUCVDPPGUASIB-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971688 554859619 /nfs/dbraw/zinc/85/96/19/554859619.db2.gz SMOQTZODTDEYRZ-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101971542 554859632 /nfs/dbraw/zinc/85/96/32/554859632.db2.gz ZXZONAMRQRSPIY-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971732 554859808 /nfs/dbraw/zinc/85/98/08/554859808.db2.gz QDXMUTAPWUSBME-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972435 554860451 /nfs/dbraw/zinc/86/04/51/554860451.db2.gz CNCLWJWPIKNDLC-BJKOFHAPSA-N -1 1 538.551 5.290 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101972350 554860484 /nfs/dbraw/zinc/86/04/84/554860484.db2.gz DUWUBMMXWPYYMY-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1F ZINC000101972978 554861587 /nfs/dbraw/zinc/86/15/87/554861587.db2.gz ROTJNFVJCYNRCG-RPWUZVMVSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000101973141 554861595 /nfs/dbraw/zinc/86/15/95/554861595.db2.gz VOFFOHVIBOPBTJ-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000101973121 554861666 /nfs/dbraw/zinc/86/16/66/554861666.db2.gz UDEGBRZOSDWXSA-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973234 554862041 /nfs/dbraw/zinc/86/20/41/554862041.db2.gz IETPDRQVNPKEQU-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101973468 554862367 /nfs/dbraw/zinc/86/23/67/554862367.db2.gz BDVDSHYZXIFYFN-WIOPSUGQSA-N -1 1 530.581 5.041 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101973588 554862679 /nfs/dbraw/zinc/86/26/79/554862679.db2.gz ASTDXYDNUJTRTG-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000101977452 554863110 /nfs/dbraw/zinc/86/31/10/554863110.db2.gz ORSRINHAHRWYGA-UHFFFAOYSA-N -1 1 569.708 6.600 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000101977437 554863122 /nfs/dbraw/zinc/86/31/22/554863122.db2.gz WSQWCYAJKAJKPC-UHFFFAOYSA-N -1 1 573.696 6.189 50 0 KKAAMM Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)sc1Nc1ccccc1F ZINC000102201730 554895613 /nfs/dbraw/zinc/89/56/13/554895613.db2.gz SAWPMKCNZAMDSH-QFIPXVFZSA-N -1 1 584.929 6.519 50 0 KKAAMM COc1ccccc1CN1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)C1(C)C ZINC000102415116 554924527 /nfs/dbraw/zinc/92/45/27/554924527.db2.gz XAUBORPLJZMELB-QHCPKHFHSA-N -1 1 596.528 7.203 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000102629159 554989025 /nfs/dbraw/zinc/98/90/25/554989025.db2.gz SPYMVWVVXNTANB-UHFFFAOYSA-N -1 1 550.430 6.993 50 0 KKAAMM Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@@H](c1[n-]n(-c2ccccc2)c(=O)c1C)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000102694692 555009643 /nfs/dbraw/zinc/00/96/43/555009643.db2.gz BMSUETPYNCWBPY-XIFFEERXSA-N -1 1 608.702 7.553 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102758016 555050332 /nfs/dbraw/zinc/05/03/32/555050332.db2.gz YEQKIUHBYOXGIP-JFHPUIQFSA-N -1 1 534.612 6.024 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c3ccccc23)cc1 ZINC000102769071 555056721 /nfs/dbraw/zinc/05/67/21/555056721.db2.gz QQVBHSXNSVVRLZ-UHFFFAOYSA-N -1 1 535.621 6.594 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810432 555074499 /nfs/dbraw/zinc/07/44/99/555074499.db2.gz AFAOYCFSQAVDSQ-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000102926469 555150763 /nfs/dbraw/zinc/15/07/63/555150763.db2.gz RNKJPLIKCCZRGJ-UHFFFAOYSA-N -1 1 575.672 5.292 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)cc1 ZINC000102927162 555151970 /nfs/dbraw/zinc/15/19/70/555151970.db2.gz FLIVIOKWCXLCFK-UHFFFAOYSA-N -1 1 627.785 5.109 50 0 KKAAMM COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3[O-])c3ccccc3n2)cc(OC)c1OC ZINC000102938946 555167621 /nfs/dbraw/zinc/16/76/21/555167621.db2.gz IMHOUNUQOUEBLB-UHFFFAOYSA-N -1 1 620.083 6.340 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000102959339 555174727 /nfs/dbraw/zinc/17/47/27/555174727.db2.gz XUJNQFCFQZXURQ-FQEVSTJZSA-N -1 1 596.130 5.841 50 0 KKAAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccc(Cl)cc1Cl ZINC000102968383 555180692 /nfs/dbraw/zinc/18/06/92/555180692.db2.gz GCMHPLVLLJLKBL-UHFFFAOYSA-N -1 1 574.295 7.880 50 0 KKAAMM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000102972405 555182252 /nfs/dbraw/zinc/18/22/52/555182252.db2.gz GUKZIXKPVRAJIJ-UHFFFAOYSA-N -1 1 548.086 5.135 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2N2CCCCC2)cc1 ZINC000102972566 555182414 /nfs/dbraw/zinc/18/24/14/555182414.db2.gz AOZIYHJPPGLKNL-UHFFFAOYSA-N -1 1 554.065 5.080 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000102974745 555184317 /nfs/dbraw/zinc/18/43/17/555184317.db2.gz RUQAMXHXFUSUMB-UHFFFAOYSA-N -1 1 537.003 6.255 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc1)C[C@H](C)CC2 ZINC000102975621 555185997 /nfs/dbraw/zinc/18/59/97/555185997.db2.gz IJHHVIQYKBAHQQ-CVEARBPZSA-N -1 1 606.669 5.313 50 0 KKAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000102996285 555195708 /nfs/dbraw/zinc/19/57/08/555195708.db2.gz ZRRUVLUCTXDVPJ-UHFFFAOYSA-N -1 1 582.531 5.530 50 0 KKAAMM COc1cc(/C=C\C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000103000627 555200533 /nfs/dbraw/zinc/20/05/33/555200533.db2.gz YAGJLEKPVWDHQW-YBEGLDIGSA-N -1 1 627.140 6.186 50 0 KKAAMM COc1ccc(OC)c2c1[C@H]1CCCC[C@@H]1O[C@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000103032364 555219917 /nfs/dbraw/zinc/21/99/17/555219917.db2.gz JVQKSUQLLRSLAI-SYZUXVNWSA-N -1 1 537.634 5.422 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2N2CCCC2)cc1 ZINC000103049502 555231586 /nfs/dbraw/zinc/23/15/86/555231586.db2.gz HVMXKQLQDSWWFG-UHFFFAOYSA-N -1 1 532.666 5.539 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc2ccccc2n1 ZINC000103049773 555231970 /nfs/dbraw/zinc/23/19/70/555231970.db2.gz RIMDGCOPOWBMJX-UHFFFAOYSA-N -1 1 540.567 5.907 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3Cl)ccc2N2CCCCC2)cc1 ZINC000103050122 555232468 /nfs/dbraw/zinc/23/24/68/555232468.db2.gz HHOODGLDJXQNLM-UHFFFAOYSA-N -1 1 530.046 5.157 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc2N2CCCCC2)cc1 ZINC000103050155 555232544 /nfs/dbraw/zinc/23/25/44/555232544.db2.gz VARUKVDGMKWRBA-UHFFFAOYSA-N -1 1 569.683 6.363 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@@H](C(C)(C)C)C/C3=C/c2cccs2)cc1 ZINC000103081924 555261111 /nfs/dbraw/zinc/26/11/11/555261111.db2.gz RQNIBVANFQLLLX-VQZNFWSPSA-N -1 1 594.777 7.856 50 0 KKAAMM C[C@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)/C(=C\c2ccccc2)C1 ZINC000103135581 555305213 /nfs/dbraw/zinc/30/52/13/555305213.db2.gz FZGNSUXAMWYJNF-YQPBSLOJSA-N -1 1 556.565 6.073 50 0 KKAAMM O=C(NCCN1CCOCC1)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000103140683 555310255 /nfs/dbraw/zinc/31/02/55/555310255.db2.gz IPDXBXGGELKJEK-UHFFFAOYSA-N -1 1 612.796 5.162 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)NCCc3ccccn3)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000103417791 555397800 /nfs/dbraw/zinc/39/78/00/555397800.db2.gz MFBXUCBUOBQSJY-UHFFFAOYSA-N -1 1 559.091 5.820 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2=O)c(OC)c1 ZINC000103423962 555403641 /nfs/dbraw/zinc/40/36/41/555403641.db2.gz AMHDKJOEROGYRH-UHFFFAOYSA-N -1 1 619.696 5.941 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O ZINC000103426017 555406987 /nfs/dbraw/zinc/40/69/87/555406987.db2.gz RZZGNRGBCMCFMF-UHFFFAOYSA-N -1 1 565.717 5.432 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103426030 555407021 /nfs/dbraw/zinc/40/70/21/555407021.db2.gz LQTOIRNVFPCEKT-UHFFFAOYSA-N -1 1 592.098 6.139 50 0 KKAAMM COc1ccc(C)cc1NC1=C(Sc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C(=O)N(c2ccccc2)C1=O ZINC000103427867 555409547 /nfs/dbraw/zinc/40/95/47/555409547.db2.gz QOUXIKPYKLZACA-UHFFFAOYSA-N -1 1 606.125 6.447 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(SC3=C(Nc4ccc(C(C)C)cc4)C(=O)N(Cc4ccco4)C3=O)c2)cc1 ZINC000103428778 555411653 /nfs/dbraw/zinc/41/16/53/555411653.db2.gz VIWKSWLCVYNGRZ-UHFFFAOYSA-N -1 1 587.723 6.497 50 0 KKAAMM COc1ccc(C)cc1NC1=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(=O)N(c2ccccc2)C1=O ZINC000103439413 555419133 /nfs/dbraw/zinc/41/91/33/555419133.db2.gz MYANJUBMZMRBPF-UHFFFAOYSA-N -1 1 571.680 5.794 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000103439704 555419747 /nfs/dbraw/zinc/41/97/47/555419747.db2.gz CJUCJSRWHUUJGB-UHFFFAOYSA-N -1 1 613.614 6.635 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3O[C@H]4CCCC[C@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000104160759 571375727 /nfs/dbraw/zinc/37/57/27/571375727.db2.gz SPSJFOSHBLSKGG-BXOOBUKZSA-N -1 1 539.650 5.668 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O ZINC000105484632 571405070 /nfs/dbraw/zinc/40/50/70/571405070.db2.gz DWGIRNLGGMKSDJ-UHFFFAOYSA-N -1 1 602.532 5.071 50 0 KKAAMM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000110565561 571431686 /nfs/dbraw/zinc/43/16/86/571431686.db2.gz YWPHAVPXEWMIPC-KFWWJZLASA-N -1 1 531.433 5.268 50 0 KKAAMM O=C1[C@@H](Cc2cc(I)c(Oc3cc(I)c([O-])c(I)c3)c(I)c2)NC(=S)N1c1ccccc1 ZINC000150349647 571461673 /nfs/dbraw/zinc/46/16/73/571461673.db2.gz GLHGFRPAXRYBBK-GOSISDBHSA-N -1 1 894.048 6.435 50 0 biogenic KKAAMM CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000150401108 571478200 /nfs/dbraw/zinc/47/82/00/571478200.db2.gz SHPIGDPVWONVNK-FEJAXNNGSA-N -1 1 665.186 9.041 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)ccc2NCc2ccccc2OC)c1 ZINC000150407094 571480011 /nfs/dbraw/zinc/48/00/11/571480011.db2.gz VPBBDWRTLKVCTO-UHFFFAOYSA-N -1 1 690.819 5.101 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000150407854 571480360 /nfs/dbraw/zinc/48/03/60/571480360.db2.gz UELGDVJDQGHZSW-UHFFFAOYSA-N -1 1 669.870 5.369 50 0 KKAAMM Cc1ccc(N(CCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000150409836 571482251 /nfs/dbraw/zinc/48/22/51/571482251.db2.gz VJGRJPYAYUUKGL-UHFFFAOYSA-N -1 1 669.225 5.510 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3N3CCOCC3)c2)cc1C ZINC000150421981 571487881 /nfs/dbraw/zinc/48/78/81/571487881.db2.gz NKELVEISXMGUKS-UHFFFAOYSA-N -1 1 689.643 6.301 50 0 KKAAMM COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000150443734 571499448 /nfs/dbraw/zinc/49/94/48/571499448.db2.gz DQRGIZOMOQQUHB-RZQGWYNDSA-N -1 1 642.177 7.595 50 0 KKAAMM Cc1c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150447476 571501296 /nfs/dbraw/zinc/50/12/96/571501296.db2.gz XDQRNTBGNMSOJB-UHFFFAOYSA-N -1 1 685.706 5.357 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000150451053 571502648 /nfs/dbraw/zinc/50/26/48/571502648.db2.gz NVOZQSXWSXLXMS-UHFFFAOYSA-N -1 1 735.071 6.323 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)c1 ZINC000150453391 571503552 /nfs/dbraw/zinc/50/35/52/571503552.db2.gz QXWOEVXRLXNQPF-UHFFFAOYSA-N -1 1 644.753 6.953 50 0 KKAAMM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCCCC4)c(-c4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150531659 571520460 /nfs/dbraw/zinc/52/04/60/571520460.db2.gz SMUSPZCDKONHRC-BHVANESWSA-N -1 1 704.920 7.765 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5cccc(C)c5[nH]c3=O)CC(=O)O4)c2=O)cc1OC ZINC000263585446 572118709 /nfs/dbraw/zinc/11/87/09/572118709.db2.gz IRDDGQRTXGSVFE-QGZVFWFLSA-N -1 1 525.513 5.186 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000263585446 572118714 /nfs/dbraw/zinc/11/87/14/572118714.db2.gz IRDDGQRTXGSVFE-QGZVFWFLSA-N -1 1 525.513 5.186 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)c(OCc3ccc(C(C)C)cc3)c2)cc1OC ZINC000263585853 572120324 /nfs/dbraw/zinc/12/03/24/572120324.db2.gz NGBFOGLPYNZHJF-RUZDIDTESA-N -1 1 622.670 7.335 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3O[C@@H]4CCCC[C@@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000226432647 572137709 /nfs/dbraw/zinc/13/77/09/572137709.db2.gz SPSJFOSHBLSKGG-KERYWQKISA-N -1 1 539.650 5.668 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226813824 572142079 /nfs/dbraw/zinc/14/20/79/572142079.db2.gz YCFGIEJBOWXYAF-ZGIBFIJWSA-N -1 1 514.622 5.878 50 0 KKAAMM CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873376 572144582 /nfs/dbraw/zinc/14/45/82/572144582.db2.gz KPHCPOAPZBEPFP-FRXPANAUSA-N -1 1 538.575 5.855 50 0 KKAAMM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000245309474 572227599 /nfs/dbraw/zinc/22/75/99/572227599.db2.gz DLYNJURBUZENLF-CKXMCULTSA-N -1 1 534.999 6.179 50 0 KKAAMM O=C([O-])c1ccccc1-c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)o1 ZINC000253401040 572285127 /nfs/dbraw/zinc/28/51/27/572285127.db2.gz FIGCRSATKGRFOH-GOSISDBHSA-N -1 1 528.900 6.218 50 0 KKAAMM COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000888089007 1071057404 /nfs/dbraw/zinc/05/74/04/1071057404.db2.gz BXHXKFSKBOKMDC-RRVDWVLNSA-N -1 1 574.413 5.567 50 0 KKAAMM COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc([O-])c(Cl)c1 ZINC000888089008 1071057529 /nfs/dbraw/zinc/05/75/29/1071057529.db2.gz BXHXKFSKBOKMDC-SWTANCRVSA-N -1 1 574.413 5.567 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000101176825 1071157828 /nfs/dbraw/zinc/15/78/28/1071157828.db2.gz WTXVMRBKRSBKJG-UHFFFAOYSA-N -1 1 512.613 6.933 50 0 KKAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OCCc3ccc5c(c3)CCO5)c2)CC(=O)O4)cc1O ZINC000217851672 1071292842 /nfs/dbraw/zinc/29/28/42/1071292842.db2.gz YKOOFYDNPNITPB-DEOSSOPVSA-N -1 1 592.600 5.877 50 0 biogenic KKAAMM CC(N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl)c1ccccc1Br ZINC000254286996 1072842922 /nfs/dbraw/zinc/84/29/22/1072842922.db2.gz DOOOFDSZTBTFND-UHFFFAOYSA-N -1 1 523.796 5.648 50 0 KKAAMM Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000254289428 1072843367 /nfs/dbraw/zinc/84/33/67/1072843367.db2.gz ICAAWRXJZNQWIJ-UHFFFAOYSA-N -1 1 580.070 5.589 50 0 KKAAMM Cc1nn(-c2ccccc2)c(N2CCCC2)c1CN=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000254342358 1072848040 /nfs/dbraw/zinc/84/80/40/1072848040.db2.gz WAGOQCHPKMENPR-UHFFFAOYSA-N -1 1 580.070 5.589 50 0 KKAAMM CC(=NNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(OC(F)F)cc1 ZINC000254631777 1072868950 /nfs/dbraw/zinc/86/89/50/1072868950.db2.gz XUTAKYQSZLSPTF-UHFFFAOYSA-N -1 1 538.370 5.005 50 0 KKAAMM O=C(N=C1N=C2C=CC(Cl)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254733868 1072873329 /nfs/dbraw/zinc/87/33/29/1072873329.db2.gz JZTRWNPGUQPLPB-UHFFFAOYSA-N -1 1 537.428 5.592 50 0 KKAAMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000254818991 1072881329 /nfs/dbraw/zinc/88/13/29/1072881329.db2.gz TUEWKDIRVZPABA-UHFFFAOYSA-N -1 1 518.979 5.292 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3cccc(Br)c3)c([N+](=O)[O-])c2)c(C)c1 ZINC000254819031 1072881356 /nfs/dbraw/zinc/88/13/56/1072881356.db2.gz UULBRMIAHSLOCB-UHFFFAOYSA-N -1 1 503.378 5.221 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000254838722 1072883728 /nfs/dbraw/zinc/88/37/28/1072883728.db2.gz URAIWIONYGETSH-UHFFFAOYSA-N -1 1 514.010 6.139 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000150499992 1072905705 /nfs/dbraw/zinc/90/57/05/1072905705.db2.gz BIQMYXFCXQVFRO-CDGFLZACSA-N -1 1 683.336 6.629 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cccc(C)c4)ccc2-3)c1 ZINC000000627283 551503903 /nfs/dbraw/zinc/50/39/03/551503903.db2.gz NOQFATSNXFOMJK-UHFFFAOYSA-N -1 1 518.616 5.116 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000000710978 551533405 /nfs/dbraw/zinc/53/34/05/551533405.db2.gz ZUTYJHBKBJLQJO-UHFFFAOYSA-N -1 1 500.201 5.809 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000000955988 551589866 /nfs/dbraw/zinc/58/98/66/551589866.db2.gz PTFOVOBVFXEMIF-UEXGIBASSA-N -1 1 533.717 6.011 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322684 551642062 /nfs/dbraw/zinc/64/20/62/551642062.db2.gz MTMQDVRIZDKYER-KCEHZKJRSA-N -1 1 584.625 5.905 50 0 biogenic KKAAMM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750382 551692989 /nfs/dbraw/zinc/69/29/89/551692989.db2.gz YHQWZCWXKVZSGU-MYUZEXMDSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750382 551692990 /nfs/dbraw/zinc/69/29/90/551692990.db2.gz YHQWZCWXKVZSGU-MYUZEXMDSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4ccccc4-c4c(=S)ssc4C3(C)C)n2)cc1 ZINC000001872721 551720079 /nfs/dbraw/zinc/72/00/79/551720079.db2.gz BSGBSTVPBRGWOY-UHFFFAOYSA-N -1 1 569.824 7.264 50 0 KKAAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Br)cc1 ZINC000001902908 551731547 /nfs/dbraw/zinc/73/15/47/551731547.db2.gz VVOWBQFGHACAJG-UHFFFAOYSA-N -1 1 582.316 6.427 50 0 KKAAMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002139125 551774361 /nfs/dbraw/zinc/77/43/61/551774361.db2.gz BJNLEXZEHFYGDD-OAQYLSRUSA-N -1 1 501.535 5.207 50 0 biogenic KKAAMM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002139125 551774363 /nfs/dbraw/zinc/77/43/63/551774363.db2.gz BJNLEXZEHFYGDD-OAQYLSRUSA-N -1 1 501.535 5.207 50 0 biogenic KKAAMM COc1cc2c(cc1OC)[C@@H](c1c([O-])n(-c3ccc(Br)cc3)c(=S)n(-c3ccccc3)c1=O)NCC2 ZINC000002365033 552103697 /nfs/dbraw/zinc/10/36/97/552103697.db2.gz OVLVRCLHPAVTBL-DEOSSOPVSA-N -1 1 566.477 5.078 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002436725 552118702 /nfs/dbraw/zinc/11/87/02/552118702.db2.gz OXPRUYBYBRTOCQ-UHFFFAOYSA-N -1 1 501.892 6.358 50 0 KKAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002453309 552124220 /nfs/dbraw/zinc/12/42/20/552124220.db2.gz KWKZEBNITZMECM-YPKYBTACSA-N -1 1 534.612 6.024 50 0 KKAAMM COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)[N-]c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002561839 552129705 /nfs/dbraw/zinc/12/97/05/552129705.db2.gz AORRYKDMVJJVFM-UHFFFAOYSA-N -1 1 560.934 5.080 50 0 KKAAMM Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(CSc5ccc(Cl)cc5)cc(=O)[n-]4)cc3)sc2c1 ZINC000002801252 552194627 /nfs/dbraw/zinc/19/46/27/552194627.db2.gz IQMNFEDBARYRDJ-UHFFFAOYSA-N -1 1 565.145 7.032 50 0 KKAAMM COc1ccc(-c2c3c(N)c(C(=O)[N-]c4nsc(-c5ccc(Cl)cc5)n4)sc3nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002890842 552211765 /nfs/dbraw/zinc/21/17/65/552211765.db2.gz YGDJDAKVEOHUEZ-UHFFFAOYSA-N -1 1 590.130 7.133 50 0 KKAAMM COc1ccc(NC(=O)CCCCCn2c(=O)c3sccc3nc2SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000002925332 552222828 /nfs/dbraw/zinc/22/28/28/552222828.db2.gz KEJGGDXCEVXXFI-UHFFFAOYSA-N -1 1 577.684 5.770 50 0 KKAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000002949940 552228903 /nfs/dbraw/zinc/22/89/03/552228903.db2.gz PKBIUIGGHPUNGT-MHWRWJLKSA-N -1 1 514.444 5.253 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)/c(=N/c3ccc(F)cc3)oc2cc1[O-] ZINC000002964005 552235156 /nfs/dbraw/zinc/23/51/56/552235156.db2.gz HNNKOODTDLIWLO-MEIHLTSWSA-N -1 1 528.649 8.432 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)/c(=N/c3ccc(Cl)cc3)oc2cc1[O-] ZINC000002964000 552235166 /nfs/dbraw/zinc/23/51/66/552235166.db2.gz GLXJGYAQWITPCL-MEIHLTSWSA-N -1 1 545.104 8.946 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000003131806 552292820 /nfs/dbraw/zinc/29/28/20/552292820.db2.gz YXJZCVHURIWGTK-UHFFFAOYSA-N -1 1 557.299 7.084 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(C)c(C)c4)ccc3Cl)ccc21 ZINC000003215584 552307327 /nfs/dbraw/zinc/30/73/27/552307327.db2.gz JDMVJCCFXHVQKM-UHFFFAOYSA-N -1 1 532.065 7.138 50 0 KKAAMM COc1ccc2nc(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)ccc3Cl)sc2c1 ZINC000003226115 552312824 /nfs/dbraw/zinc/31/28/24/552312824.db2.gz CXBIRVLZCYIRFC-UHFFFAOYSA-N -1 1 541.960 6.030 50 0 KKAAMM C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1 ZINC000003262398 552327065 /nfs/dbraw/zinc/32/70/65/552327065.db2.gz XFAWNEPWGIXZJJ-HNNXBMFYSA-N -1 1 514.028 5.352 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4csc(-c5ccccc5)n4)nc3c2)cc1 ZINC000003264220 552327813 /nfs/dbraw/zinc/32/78/13/552327813.db2.gz SITNSCPIKRYKEE-UHFFFAOYSA-N -1 1 509.634 6.053 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)NC(c4ccccc4)c4ccccc4)nc3c2)cc1 ZINC000003264540 552328045 /nfs/dbraw/zinc/32/80/45/552328045.db2.gz WSFZRPVXPNXAHI-UHFFFAOYSA-N -1 1 559.669 5.635 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)cc2)[C@@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000003876669 552421724 /nfs/dbraw/zinc/42/17/24/552421724.db2.gz YXUKVDAWFIIDLB-OAHLLOKOSA-N -1 1 500.433 5.392 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c1)C[C@H](C)CC2 ZINC000006144316 552546098 /nfs/dbraw/zinc/54/60/98/552546098.db2.gz APTZASYINLIBFO-MOPGFXCFSA-N -1 1 584.716 5.343 50 0 KKAAMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000006144704 552547047 /nfs/dbraw/zinc/54/70/47/552547047.db2.gz MMSVTUJTJGURDF-LSDHHAIUSA-N -1 1 591.633 5.847 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)ccc2C)cc1 ZINC000006153462 552552114 /nfs/dbraw/zinc/55/21/14/552552114.db2.gz JSTSNSQLLACWOS-WBVHZDCISA-N -1 1 567.689 5.145 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000006235161 552572028 /nfs/dbraw/zinc/57/20/28/552572028.db2.gz FCMLXDNJWFAJCG-FGZHOGPDSA-N -1 1 505.684 6.093 50 0 KKAAMM O=C1OC(c2cc(I)c([O-])c(I)c2)(c2cc(I)c(O)c(I)c2)c2ccccc21 ZINC000008214582 552984438 /nfs/dbraw/zinc/98/44/38/552984438.db2.gz FWQKRBDABCRWKV-UHFFFAOYSA-N -1 1 821.912 5.979 50 0 in-man KKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)c1 ZINC000008399934 553002624 /nfs/dbraw/zinc/00/26/24/553002624.db2.gz FEBFAZNNAKUONH-UHFFFAOYSA-N -1 1 503.418 5.193 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000008425737 553016565 /nfs/dbraw/zinc/01/65/65/553016565.db2.gz WLEJAVSKEMNOJK-UHFFFAOYSA-N -1 1 591.067 7.139 50 0 KKAAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000008439944 553036282 /nfs/dbraw/zinc/03/62/82/553036282.db2.gz XVXHPJCEBGEEKA-HXUWFJFHSA-N -1 1 547.283 6.159 50 0 KKAAMM COC(=O)c1cccc(-c2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)o2)c1 ZINC000008497105 553077330 /nfs/dbraw/zinc/07/73/30/553077330.db2.gz NYBYHLDEDYWTQC-UHFFFAOYSA-N -1 1 560.610 6.313 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl ZINC000008774495 553142026 /nfs/dbraw/zinc/14/20/26/553142026.db2.gz HYHJSCQFKPYRIH-UHFFFAOYSA-N -1 1 500.473 5.496 50 0 KKAAMM CCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000008926408 553191262 /nfs/dbraw/zinc/19/12/62/553191262.db2.gz FIXSUWFORFGTRJ-GOSISDBHSA-N -1 1 520.244 6.980 50 0 KKAAMM CCC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Br)cc4)c4ccccc34)c2C1 ZINC000008974121 553195768 /nfs/dbraw/zinc/19/57/68/553195768.db2.gz JBUXYAMKLAUPDI-QGZVFWFLSA-N -1 1 526.496 7.690 50 0 KKAAMM Cc1cc2c(cc1C)N(C(=O)CSc1nc(CSc3ccc(Cl)cc3)cc(=O)[n-]1)C(C)(C)C=C2C ZINC000009065041 553205749 /nfs/dbraw/zinc/20/57/49/553205749.db2.gz ITHHGDYBEZLWLU-UHFFFAOYSA-N -1 1 526.127 7.066 50 0 KKAAMM COC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000009144981 553214025 /nfs/dbraw/zinc/21/40/25/553214025.db2.gz OHZQIDDAZNMKHZ-FQEVSTJZSA-N -1 1 509.390 5.217 50 0 KKAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4ccccc4)CC3)no2)cc1 ZINC000009251190 553227623 /nfs/dbraw/zinc/22/76/23/553227623.db2.gz JYLZHIYUJNMZKP-UHFFFAOYSA-N -1 1 522.561 5.311 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000009432157 553261279 /nfs/dbraw/zinc/26/12/79/553261279.db2.gz TURBAZZNERXBTP-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000009432171 553261290 /nfs/dbraw/zinc/26/12/90/553261290.db2.gz BHPVRAVNUOOEAD-UKILVPOCSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000009432166 553261316 /nfs/dbraw/zinc/26/13/16/553261316.db2.gz BBTSFMAGBNGGOZ-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000009432169 553261367 /nfs/dbraw/zinc/26/13/67/553261367.db2.gz BHPVRAVNUOOEAD-ZCYQVOJMSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000009432167 553261449 /nfs/dbraw/zinc/26/14/49/553261449.db2.gz BBTSFMAGBNGGOZ-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)c1 ZINC000009432233 553261929 /nfs/dbraw/zinc/26/19/29/553261929.db2.gz ACJGLYFWHOCXCI-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000009432240 553261995 /nfs/dbraw/zinc/26/19/95/553261995.db2.gz NLEBESCCERWJSL-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432274 553262260 /nfs/dbraw/zinc/26/22/60/553262260.db2.gz RCBWELSPPJSFCM-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432296 553262342 /nfs/dbraw/zinc/26/23/42/553262342.db2.gz LVWKWKAJSMWLEI-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432284 553262389 /nfs/dbraw/zinc/26/23/89/553262389.db2.gz YSSRFQWHBWHQNR-JWQCQUIFSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432302 553262406 /nfs/dbraw/zinc/26/24/06/553262406.db2.gz GQKRCCDFGBUSHB-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)c1 ZINC000009432312 553262654 /nfs/dbraw/zinc/26/26/54/553262654.db2.gz XPCHFEWGWAJSTF-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)c1 ZINC000009432311 553262659 /nfs/dbraw/zinc/26/26/59/553262659.db2.gz XPCHFEWGWAJSTF-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000009445307 553265014 /nfs/dbraw/zinc/26/50/14/553265014.db2.gz PDPGPQVPULUTII-UHFFFAOYSA-N -1 1 521.664 5.874 50 0 KKAAMM O=C([N-]c1c2ccccc2oc1C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)o1 ZINC000009518371 553276584 /nfs/dbraw/zinc/27/65/84/553276584.db2.gz LQRUKZDHTXHWES-UHFFFAOYSA-N -1 1 509.234 6.192 50 0 KKAAMM CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c([O-])c(-n2nc3ccccc3n2)c1 ZINC000011677911 553340164 /nfs/dbraw/zinc/34/01/64/553340164.db2.gz FQUNFJULCYSSOP-UHFFFAOYSA-N -1 1 658.891 9.584 50 0 world KKAAMM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000011866717 553346993 /nfs/dbraw/zinc/34/69/93/553346993.db2.gz LKRRQUWTIFFURH-NRFANRHFSA-N -1 1 519.575 5.119 50 0 KKAAMM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000011866717 553346994 /nfs/dbraw/zinc/34/69/94/553346994.db2.gz LKRRQUWTIFFURH-NRFANRHFSA-N -1 1 519.575 5.119 50 0 KKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1 ZINC000012040080 553350433 /nfs/dbraw/zinc/35/04/33/553350433.db2.gz CIOLUVMDGVOYPU-UHFFFAOYSA-N -1 1 507.439 6.209 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3cc(Cl)ccc3C)[n-]2)cc1 ZINC000012112529 553351486 /nfs/dbraw/zinc/35/14/86/553351486.db2.gz IZYPBIJGXTWCIJ-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM CCOc1ccc(NC(=S)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cc1 ZINC000012528979 553384815 /nfs/dbraw/zinc/38/48/15/553384815.db2.gz GTBYZACNWFUULN-UHFFFAOYSA-N -1 1 520.474 5.766 50 0 KKAAMM Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000013936176 553495931 /nfs/dbraw/zinc/49/59/31/553495931.db2.gz ASOVZXQTNOPIFG-UHFFFAOYSA-N -1 1 500.860 6.565 50 0 KKAAMM Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000013937389 553495961 /nfs/dbraw/zinc/49/59/61/553495961.db2.gz HDBNIEYUBWUFPB-UHFFFAOYSA-N -1 1 500.860 6.565 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NC(=S)NC2CCCCC2)ccc1N1CCCCC1 ZINC000014360857 553514294 /nfs/dbraw/zinc/51/42/94/553514294.db2.gz NLOQVNQJSVDIMZ-UHFFFAOYSA-N -1 1 507.125 5.750 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3nc(SCC(=O)Nc4ccc(C)cc4)sc3c2)cc1 ZINC000015838845 553537645 /nfs/dbraw/zinc/53/76/45/553537645.db2.gz MMYQPJQKSZRTCW-UHFFFAOYSA-N -1 1 513.666 5.535 50 0 KKAAMM CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000017085969 553587753 /nfs/dbraw/zinc/58/77/53/553587753.db2.gz WDDQICMSCYFJLC-XYZCENFISA-N -1 1 514.283 5.984 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(Cl)c1 ZINC000020134648 553592898 /nfs/dbraw/zinc/59/28/98/553592898.db2.gz VAEJEMKZFYBGCK-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000020134591 553592909 /nfs/dbraw/zinc/59/29/09/553592909.db2.gz UYBBNNSNAGZWNZ-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000020134995 553593142 /nfs/dbraw/zinc/59/31/42/553593142.db2.gz SHJASDJNRCZYIE-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000020135323 553593448 /nfs/dbraw/zinc/59/34/48/553593448.db2.gz ZYTGUKVOUUUWPS-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000070664580 553594658 /nfs/dbraw/zinc/59/46/58/553594658.db2.gz FHPYTWOHARJNNR-MUUNZHRXSA-N -1 1 607.659 6.786 50 0 KKAAMM CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000070664580 553594661 /nfs/dbraw/zinc/59/46/61/553594661.db2.gz FHPYTWOHARJNNR-MUUNZHRXSA-N -1 1 607.659 6.786 50 0 KKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])n1 ZINC000071386334 553635604 /nfs/dbraw/zinc/63/56/04/553635604.db2.gz QSHIXVDUABNEKO-UHFFFAOYSA-N -1 1 533.209 6.872 50 0 KKAAMM CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020459695 553654597 /nfs/dbraw/zinc/65/45/97/553654597.db2.gz BTIBDICHDZYSER-MRXNPFEDSA-N -1 1 507.439 6.324 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490528 553660266 /nfs/dbraw/zinc/66/02/66/553660266.db2.gz NWSRZZYVUFWCMS-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490530 553660362 /nfs/dbraw/zinc/66/03/62/553660362.db2.gz NWSRZZYVUFWCMS-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490572 553660745 /nfs/dbraw/zinc/66/07/45/553660745.db2.gz AMQARNOOQLZPGV-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020490646 553661095 /nfs/dbraw/zinc/66/10/95/553661095.db2.gz SFXFKDCTIODRTN-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020490644 553661135 /nfs/dbraw/zinc/66/11/35/553661135.db2.gz SFXFKDCTIODRTN-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490624 553661255 /nfs/dbraw/zinc/66/12/55/553661255.db2.gz WRPSQSXOMZCPMS-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490666 553661507 /nfs/dbraw/zinc/66/15/07/553661507.db2.gz QLGBZFPCVVDHDX-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490706 553661549 /nfs/dbraw/zinc/66/15/49/553661549.db2.gz BTEUHYGAXQQNFL-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490716 553661595 /nfs/dbraw/zinc/66/15/95/553661595.db2.gz ZYNFNFCPACVEDF-VWNXMTODSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020490670 553661707 /nfs/dbraw/zinc/66/17/07/553661707.db2.gz GMSBZAXTEGUXJC-DHIUTWEWSA-N -1 1 508.525 5.282 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020490741 553661983 /nfs/dbraw/zinc/66/19/83/553661983.db2.gz YQRQUBLMJMPKLT-DHIUTWEWSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000020490771 553662069 /nfs/dbraw/zinc/66/20/69/553662069.db2.gz BPCMKJATVPZIDI-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490821 553662368 /nfs/dbraw/zinc/66/23/68/553662368.db2.gz YBIRRHGVVMGIIA-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490797 553662539 /nfs/dbraw/zinc/66/25/39/553662539.db2.gz SZJYVLDUBHCXLT-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490871 553662956 /nfs/dbraw/zinc/66/29/56/553662956.db2.gz VULILGZLUPSZMA-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490867 553662962 /nfs/dbraw/zinc/66/29/62/553662962.db2.gz APFGQZCEVKLPJB-SXOMAYOGSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020490994 553663577 /nfs/dbraw/zinc/66/35/77/553663577.db2.gz RRHXIYFNPQWTTG-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020491031 553664134 /nfs/dbraw/zinc/66/41/34/553664134.db2.gz UFTDCDJMMCDHKB-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020491185 553664495 /nfs/dbraw/zinc/66/44/95/553664495.db2.gz FXLPAJXCOHUXBN-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491254 553664732 /nfs/dbraw/zinc/66/47/32/553664732.db2.gz PSRFLZCKOQKCOR-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079210106 553670416 /nfs/dbraw/zinc/67/04/16/553670416.db2.gz WXIZXILJEQMMHV-PTRTWQFRSA-N -1 1 680.926 10.498 50 0 biogenic KKAAMM CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079210106 553670419 /nfs/dbraw/zinc/67/04/19/553670419.db2.gz WXIZXILJEQMMHV-PTRTWQFRSA-N -1 1 680.926 10.498 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000085877515 553689243 /nfs/dbraw/zinc/68/92/43/553689243.db2.gz ICHRHVSPYKSFKO-HXUWFJFHSA-N -1 1 516.546 5.659 50 0 biogenic KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020903627 553701459 /nfs/dbraw/zinc/70/14/59/553701459.db2.gz OLFOAYFMZKDEGJ-UPVQGACJSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903567 553701476 /nfs/dbraw/zinc/70/14/76/553701476.db2.gz FWBOECHMLJFCPK-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000020903553 553701575 /nfs/dbraw/zinc/70/15/75/553701575.db2.gz BHPVRAVNUOOEAD-ILBGXUMGSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020903625 553701619 /nfs/dbraw/zinc/70/16/19/553701619.db2.gz OLFOAYFMZKDEGJ-ISKFKSNPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903645 553701865 /nfs/dbraw/zinc/70/18/65/553701865.db2.gz CNRBTTQPSPNVQX-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903670 553701902 /nfs/dbraw/zinc/70/19/02/553701902.db2.gz UUDFFBRMYLXAHP-RPBOFIJWSA-N -1 1 516.598 5.402 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020903635 553701940 /nfs/dbraw/zinc/70/19/40/553701940.db2.gz YPYGLDUMZZFPMD-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020903758 553702179 /nfs/dbraw/zinc/70/21/79/553702179.db2.gz GFYHTSIAAUXIQT-SXOMAYOGSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000020903746 553702250 /nfs/dbraw/zinc/70/22/50/553702250.db2.gz ZBFFXJTUQSIJNZ-AOYPEHQESA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020903708 553702280 /nfs/dbraw/zinc/70/22/80/553702280.db2.gz ADBJFJPESHZPRY-RPBOFIJWSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020903789 553702554 /nfs/dbraw/zinc/70/25/54/553702554.db2.gz CMGWRYVSSXMSRR-RPBOFIJWSA-N -1 1 518.589 5.705 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903766 553702650 /nfs/dbraw/zinc/70/26/50/553702650.db2.gz SWEHSUBPUWDPSY-SXOMAYOGSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903813 553702672 /nfs/dbraw/zinc/70/26/72/553702672.db2.gz OAGSRGVJQKZFMG-LOSJGSFVSA-N -1 1 518.589 5.760 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903954 553702873 /nfs/dbraw/zinc/70/28/73/553702873.db2.gz ZQOUHGJPEHYKGQ-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903819 553702967 /nfs/dbraw/zinc/70/29/67/553702967.db2.gz OAGSRGVJQKZFMG-RPBOFIJWSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000020903972 553703011 /nfs/dbraw/zinc/70/30/11/553703011.db2.gz UTSTUAWRZPKSMQ-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020904008 553703296 /nfs/dbraw/zinc/70/32/96/553703296.db2.gz SIEFSQLMHKXBQS-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020904006 553703342 /nfs/dbraw/zinc/70/33/42/553703342.db2.gz SIEFSQLMHKXBQS-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903993 553703362 /nfs/dbraw/zinc/70/33/62/553703362.db2.gz MGEBLRLXNNWZFO-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccc(F)cc1 ZINC000097949541 553802248 /nfs/dbraw/zinc/80/22/48/553802248.db2.gz IITUFLQJCDKARY-QHCPKHFHSA-N -1 1 531.415 6.645 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000097949543 553802295 /nfs/dbraw/zinc/80/22/95/553802295.db2.gz VRGMVZWVGLTJND-QHCPKHFHSA-N -1 1 543.407 6.192 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951623 553810224 /nfs/dbraw/zinc/81/02/24/553810224.db2.gz XRTRWZAHKQTWPE-WAOWUJCRSA-N -1 1 533.717 6.011 50 0 KKAAMM O=C1Nc2c3c1cccc3c(S(=O)(=O)Nc1cccc3ccccc31)cc2S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000029747849 553849103 /nfs/dbraw/zinc/84/91/03/553849103.db2.gz RVBOEODYPAXPPN-UHFFFAOYSA-N -1 1 579.659 6.314 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cc3ccc(NC(=O)c4ccccc4NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000097961248 553876320 /nfs/dbraw/zinc/87/63/20/553876320.db2.gz KEIQBOHEMJRSTA-UHFFFAOYSA-N -1 1 744.895 8.000 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)s2)cc1 ZINC000097961462 553878139 /nfs/dbraw/zinc/87/81/39/553878139.db2.gz CYWWLTAUMYQVFR-UHFFFAOYSA-N -1 1 558.041 5.315 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2ccc(Br)cc2)s1 ZINC000097961453 553878180 /nfs/dbraw/zinc/87/81/80/553878180.db2.gz ZRPYIFZGBQYLED-UHFFFAOYSA-N -1 1 564.874 5.901 50 0 KKAAMM Cc1ccccc1CSC1=N[C@@H](c2ccc(Cl)cc2)[C@@]2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2ccc(Cl)cc2)N1 ZINC000033357591 553949285 /nfs/dbraw/zinc/94/92/85/553949285.db2.gz MCQJRJIMEMIHAD-SZPZYZBQSA-N -1 1 553.471 6.170 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000033357636 553949741 /nfs/dbraw/zinc/94/97/41/553949741.db2.gz RVTUWLRLFOIAMS-BJKOFHAPSA-N -1 1 563.477 5.636 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357632 553949812 /nfs/dbraw/zinc/94/98/12/553949812.db2.gz PEKCLHBZMYJWHX-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc2c(c1)OCO2 ZINC000033357665 553949931 /nfs/dbraw/zinc/94/99/31/553949931.db2.gz BTWQNTNQAXRYOM-URXFXBBRSA-N -1 1 550.999 5.386 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc2c(c1)OCO2 ZINC000033357662 553950126 /nfs/dbraw/zinc/95/01/26/553950126.db2.gz BTWQNTNQAXRYOM-ZJSXRUAMSA-N -1 1 550.999 5.386 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(CC)cc3)nc2[O-])cc1 ZINC000033357692 553950418 /nfs/dbraw/zinc/95/04/18/553950418.db2.gz RXLTZJWIMYHFFZ-KAYWLYCHSA-N -1 1 554.672 5.604 50 0 KKAAMM O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000033358119 553953107 /nfs/dbraw/zinc/95/31/07/553953107.db2.gz OHLIEJHGOBGGRG-NOZRDPDXSA-N -1 1 723.093 5.651 50 0 KKAAMM O=C(Nc1ccc(Cl)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)c1ccc2ccccc2c1[O-] ZINC000033358522 553956324 /nfs/dbraw/zinc/95/63/24/553956324.db2.gz HUJWCIICJPIFAF-BYVQZYKMSA-N -1 1 571.032 6.848 50 0 KKAAMM Cc1cccc(NC(=S)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1C ZINC000097981292 553992938 /nfs/dbraw/zinc/99/29/38/553992938.db2.gz DKJIPISORRABSO-UHFFFAOYSA-N -1 1 548.656 6.532 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)ccc1Cl ZINC000097982870 554005689 /nfs/dbraw/zinc/00/56/89/554005689.db2.gz SZOGFLMKXAMVDE-UHFFFAOYSA-N -1 1 590.054 5.342 50 0 KKAAMM O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000097983575 554010049 /nfs/dbraw/zinc/01/00/49/554010049.db2.gz DJTZEPZBWMAYRO-RIRMOVKSSA-N -1 1 603.895 9.306 50 0 KKAAMM O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000097983575 554010052 /nfs/dbraw/zinc/01/00/52/554010052.db2.gz DJTZEPZBWMAYRO-RIRMOVKSSA-N -1 1 603.895 9.306 50 0 KKAAMM O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000097983575 554010055 /nfs/dbraw/zinc/01/00/55/554010055.db2.gz DJTZEPZBWMAYRO-RIRMOVKSSA-N -1 1 603.895 9.306 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(C)cc2)cc1 ZINC000035672309 554062599 /nfs/dbraw/zinc/06/25/99/554062599.db2.gz HKSXRCVCNOVNPV-UHFFFAOYSA-N -1 1 523.545 6.386 50 0 KKAAMM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035843214 554081520 /nfs/dbraw/zinc/08/15/20/554081520.db2.gz MWMJSFKBKYSSKJ-MFUXGYHDSA-N -1 1 520.972 5.789 50 0 KKAAMM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035844020 554082440 /nfs/dbraw/zinc/08/24/40/554082440.db2.gz QOMVAARPVKCEBK-MFUXGYHDSA-N -1 1 520.972 5.789 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000035912471 554095978 /nfs/dbraw/zinc/09/59/78/554095978.db2.gz BQIPKAHKEFORMR-MHZLTWQESA-N -1 1 504.633 5.818 50 0 KKAAMM CC(C)(C)c1ccc(Cn2c(C(=O)NCCN3CCOCC3)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1 ZINC000098021259 554117453 /nfs/dbraw/zinc/11/74/53/554117453.db2.gz VLTYKJZXNBYHJP-UHFFFAOYSA-N -1 1 609.192 5.503 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C(=O)Nc4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000098021270 554117799 /nfs/dbraw/zinc/11/77/99/554117799.db2.gz URABZZRWOPPIJS-UHFFFAOYSA-N -1 1 605.682 8.059 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000098021285 554117809 /nfs/dbraw/zinc/11/78/09/554117809.db2.gz JQFUUZZCLUYWOA-HSZRJFAPSA-N -1 1 533.469 5.427 50 0 KKAAMM COc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000098021323 554118137 /nfs/dbraw/zinc/11/81/37/554118137.db2.gz MJHKEJQZQUAICC-JOCHJYFZSA-N -1 1 519.442 5.037 50 0 KKAAMM CC(C)(C)c1ccc(Cn2c(C(N)=O)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000036007836 554131958 /nfs/dbraw/zinc/13/19/58/554131958.db2.gz DSXSVXDTPXXKKT-UHFFFAOYSA-N -1 1 517.695 6.184 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(Cl)cccc1Cl ZINC000100040546 554191980 /nfs/dbraw/zinc/19/19/80/554191980.db2.gz HNUMYKPPCPQTGT-UHFFFAOYSA-N -1 1 505.405 6.573 50 0 KKAAMM Cc1ccc(C(NC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100226423 554253535 /nfs/dbraw/zinc/25/35/35/554253535.db2.gz WDZDBCVDBMWMAM-PGUFJCEWSA-N -1 1 582.700 6.868 50 0 KKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484936 554287086 /nfs/dbraw/zinc/28/70/86/554287086.db2.gz GSMIDCYYHGAIAX-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484938 554287176 /nfs/dbraw/zinc/28/71/76/554287176.db2.gz GSMIDCYYHGAIAX-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM O=C([O-])Cc1ccccc1Sc1ccc(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045068847 554311404 /nfs/dbraw/zinc/31/14/04/554311404.db2.gz ZKQOJBXOJYNJHH-UHFFFAOYSA-N -1 1 511.087 5.705 50 0 KKAAMM CCc1sc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C)c2C)nc1-c1ccc(C)cc1 ZINC000049997748 554327535 /nfs/dbraw/zinc/32/75/35/554327535.db2.gz FEOJDUFOCVZIGU-YCNYHXFESA-N -1 1 509.631 7.234 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4cc(C)c(C)cc4C(C)=CC3(C)C)n2)cc1 ZINC000058823767 554365409 /nfs/dbraw/zinc/36/54/09/554365409.db2.gz DPDDGCLQOWASDZ-UHFFFAOYSA-N -1 1 505.709 6.721 50 0 KKAAMM CCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100425566 554386608 /nfs/dbraw/zinc/38/66/08/554386608.db2.gz KRGUHEFHVZDSHH-MUUNZHRXSA-N -1 1 506.599 6.141 50 0 KKAAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000100427107 554389565 /nfs/dbraw/zinc/38/95/65/554389565.db2.gz CDWGTSZSUYMQAZ-SLQAJWMNSA-N -1 1 516.619 6.480 50 0 KKAAMM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3)cc2)cc1 ZINC000059626471 554414766 /nfs/dbraw/zinc/41/47/66/554414766.db2.gz XTLQIJONZQXGLN-UHFFFAOYSA-N -1 1 579.700 5.190 50 0 KKAAMM CCN(CC)C(=O)c1sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c(C(=O)OC)c1C ZINC000059780144 554429326 /nfs/dbraw/zinc/42/93/26/554429326.db2.gz WYERDAWLHOJYEL-UHFFFAOYSA-N -1 1 595.168 5.588 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OCc1ccccc1 ZINC000100617275 554432973 /nfs/dbraw/zinc/43/29/73/554432973.db2.gz XMLGQIBYBSJVQA-UHFFFAOYSA-N -1 1 542.639 6.845 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289712 554707233 /nfs/dbraw/zinc/70/72/33/554707233.db2.gz YPOSZTJSFKBACK-DQEYMECFSA-N -1 1 567.042 5.674 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101290004 554707387 /nfs/dbraw/zinc/70/73/87/554707387.db2.gz FGMMZSYLQINCLQ-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101289998 554707473 /nfs/dbraw/zinc/70/74/73/554707473.db2.gz FGMMZSYLQINCLQ-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290362 554707799 /nfs/dbraw/zinc/70/77/99/554707799.db2.gz VPYJETUFFLWKMW-IZZNHLLZSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101290936 554708242 /nfs/dbraw/zinc/70/82/42/554708242.db2.gz DPYSVRWDOJSSRC-CLJLJLNGSA-N -1 1 546.624 5.411 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101290933 554708319 /nfs/dbraw/zinc/70/83/19/554708319.db2.gz DPYSVRWDOJSSRC-IZZNHLLZSA-N -1 1 546.624 5.411 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1F ZINC000101291670 554708626 /nfs/dbraw/zinc/70/86/26/554708626.db2.gz MIIOEIUEMQKQSP-ZEQRLZLVSA-N -1 1 539.007 6.105 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000101291367 554708708 /nfs/dbraw/zinc/70/87/08/554708708.db2.gz MLCTWEGZBQPZTD-UHFFFAOYSA-N -1 1 542.480 5.711 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293366 554709886 /nfs/dbraw/zinc/70/98/86/554709886.db2.gz LRWJQLXTKOEIOI-SHQCIBLASA-N -1 1 542.661 5.499 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000101293403 554710104 /nfs/dbraw/zinc/71/01/04/554710104.db2.gz AXYCOIVCORFPAX-DNQXCXABSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101294167 554710612 /nfs/dbraw/zinc/71/06/12/554710612.db2.gz YLHYPNWUGFATRM-RPWUZVMVSA-N -1 1 553.471 6.180 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101294253 554710822 /nfs/dbraw/zinc/71/08/22/554710822.db2.gz PHDUETBORYNFOJ-IZZNHLLZSA-N -1 1 563.079 5.925 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000101294713 554711504 /nfs/dbraw/zinc/71/15/04/554711504.db2.gz LTPDFAAPIOOMGI-UIOOFZCWSA-N -1 1 544.702 5.903 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(Cl)ccc3OC)s2)cc1 ZINC000101295338 554711925 /nfs/dbraw/zinc/71/19/25/554711925.db2.gz BOFCHTQOBUMHAD-AZGAKELHSA-N -1 1 547.080 6.089 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 ZINC000101295318 554711983 /nfs/dbraw/zinc/71/19/83/554711983.db2.gz GTGJCSJAAWYZBU-RSXGOPAZSA-N -1 1 547.080 6.089 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 ZINC000101295327 554712075 /nfs/dbraw/zinc/71/20/75/554712075.db2.gz GTGJCSJAAWYZBU-AOYPEHQESA-N -1 1 547.080 6.089 50 0 KKAAMM COc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000101424490 554767987 /nfs/dbraw/zinc/76/79/87/554767987.db2.gz SVYSWMFJFFEQIO-ADKRDUOOSA-N -1 1 546.576 5.720 50 0 KKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000101425679 554768479 /nfs/dbraw/zinc/76/84/79/554768479.db2.gz KSZWIPHVPFYBKI-UHFFFAOYSA-N -1 1 539.897 7.573 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1C ZINC000101616384 554806063 /nfs/dbraw/zinc/80/60/63/554806063.db2.gz MHHNDWGSDWVTOU-UHFFFAOYSA-N -1 1 600.675 6.802 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101969212 554854552 /nfs/dbraw/zinc/85/45/52/554854552.db2.gz UAIWNNGNGKIUEH-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969314 554854781 /nfs/dbraw/zinc/85/47/81/554854781.db2.gz JBEUIJZXIBZWPM-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969272 554854804 /nfs/dbraw/zinc/85/48/04/554854804.db2.gz KSXFNVUGUHMKDZ-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969454 554855013 /nfs/dbraw/zinc/85/50/13/554855013.db2.gz IMMPRSQPOFUWDA-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969800 554855928 /nfs/dbraw/zinc/85/59/28/554855928.db2.gz UEBNWDMAIORZJJ-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969930 554856257 /nfs/dbraw/zinc/85/62/57/554856257.db2.gz MKMMWOGSAGNWCA-KAYWLYCHSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101970027 554856441 /nfs/dbraw/zinc/85/64/41/554856441.db2.gz DQNIRWDQVVDXFW-RSXGOPAZSA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000101970213 554856885 /nfs/dbraw/zinc/85/68/85/554856885.db2.gz NXUWYGXUNGMXRS-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000101970207 554856891 /nfs/dbraw/zinc/85/68/91/554856891.db2.gz NXUWYGXUNGMXRS-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970381 554856905 /nfs/dbraw/zinc/85/69/05/554856905.db2.gz FBVZQYQROFJTOC-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1cccc(F)c1 ZINC000101970464 554857185 /nfs/dbraw/zinc/85/71/85/554857185.db2.gz JBBNWDOUANRZKM-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1cccc(F)c1 ZINC000101970466 554857288 /nfs/dbraw/zinc/85/72/88/554857288.db2.gz JBBNWDOUANRZKM-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970539 554857547 /nfs/dbraw/zinc/85/75/47/554857547.db2.gz PHKSWHKLTNTDDX-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970672 554857614 /nfs/dbraw/zinc/85/76/14/554857614.db2.gz VVIRWRCIEQOSDZ-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101970818 554858035 /nfs/dbraw/zinc/85/80/35/554858035.db2.gz WEHUZGZTLFZWDJ-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000101970867 554858201 /nfs/dbraw/zinc/85/82/01/554858201.db2.gz ZSOBBXBAIMVJPK-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970919 554858312 /nfs/dbraw/zinc/85/83/12/554858312.db2.gz JIGNNDKZQCLNME-RSXGOPAZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970944 554858340 /nfs/dbraw/zinc/85/83/40/554858340.db2.gz FNTNPYNXFVNEJR-AHKZPQOWSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970863 554858428 /nfs/dbraw/zinc/85/84/28/554858428.db2.gz VGUMZMJKPKWGDG-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101971110 554858475 /nfs/dbraw/zinc/85/84/75/554858475.db2.gz ZISBBZZCOXOFLP-AHKZPQOWSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3cccc(F)c3)C2)c1 ZINC000101971032 554858684 /nfs/dbraw/zinc/85/86/84/554858684.db2.gz IMNJQXNXSFMACN-AHWVRZQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000101970979 554858699 /nfs/dbraw/zinc/85/86/99/554858699.db2.gz RYSGOGRPSHTAMJ-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101971279 554858947 /nfs/dbraw/zinc/85/89/47/554858947.db2.gz NYDXUDWSHSCWBW-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101971192 554859006 /nfs/dbraw/zinc/85/90/06/554859006.db2.gz ZDBUKUZWTGWBBW-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101971292 554859307 /nfs/dbraw/zinc/85/93/07/554859307.db2.gz UHIDQCPXWCPHQP-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc(OC)c1 ZINC000101971386 554859324 /nfs/dbraw/zinc/85/93/24/554859324.db2.gz JHZLBCRCRULECL-IZZNHLLZSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971694 554859493 /nfs/dbraw/zinc/85/94/93/554859493.db2.gz SMOQTZODTDEYRZ-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972478 554860656 /nfs/dbraw/zinc/86/06/56/554860656.db2.gz GWNNUHUHDXVZIW-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101972723 554860935 /nfs/dbraw/zinc/86/09/35/554860935.db2.gz VUPNUZRKOARYND-SVBPBHIXSA-N -1 1 542.661 5.580 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972836 554861189 /nfs/dbraw/zinc/86/11/89/554861189.db2.gz JNJGVFDPNGCQAD-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972820 554861425 /nfs/dbraw/zinc/86/14/25/554861425.db2.gz JNJGVFDPNGCQAD-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(OC)c3)nc2[O-])c1 ZINC000101973186 554861990 /nfs/dbraw/zinc/86/19/90/554861990.db2.gz AYFQFXIAUFCWPR-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc5c(c4)OCO5)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101973473 554862350 /nfs/dbraw/zinc/86/23/50/554862350.db2.gz BDVDSHYZXIFYFN-RCZVLFRGSA-N -1 1 530.581 5.041 50 0 KKAAMM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000102091922 554877812 /nfs/dbraw/zinc/87/78/12/554877812.db2.gz BCPXJYNUWZJDKW-XTZNXHDOSA-N -1 1 528.310 6.949 50 0 KKAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000102404197 554920339 /nfs/dbraw/zinc/92/03/39/554920339.db2.gz CWVMYRUFKMBSPF-UHFFFAOYSA-N -1 1 574.699 5.308 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000102739069 555027604 /nfs/dbraw/zinc/02/76/04/555027604.db2.gz XCHPYQVONCRMQI-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000102739063 555027759 /nfs/dbraw/zinc/02/77/59/555027759.db2.gz XCHPYQVONCRMQI-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(NC(=O)CCC(=O)Nc4ccc(CC)cc4)n3)c(=O)oc2cc1[O-] ZINC000102742511 555031993 /nfs/dbraw/zinc/03/19/93/555031993.db2.gz WNGAWOZIMIPGNO-UHFFFAOYSA-N -1 1 547.677 6.665 50 0 KKAAMM O=C(NCCC1=CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000102771690 555060581 /nfs/dbraw/zinc/06/05/81/555060581.db2.gz OOTWDVYYVWPCIK-NOZRDPDXSA-N -1 1 607.176 5.547 50 0 KKAAMM COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1S(=O)(=O)c1ccccc1 ZINC000102779952 555065389 /nfs/dbraw/zinc/06/53/89/555065389.db2.gz UAMXFSFCGOBEPQ-HHHXNRCGSA-N -1 1 547.658 5.036 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810364 555074527 /nfs/dbraw/zinc/07/45/27/555074527.db2.gz BNVWSFZPBRAMKV-DNQXCXABSA-N -1 1 555.462 6.619 50 0 KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000102863336 555093242 /nfs/dbraw/zinc/09/32/42/555093242.db2.gz XTCNFCBEFBQSMD-QTYPKTMWSA-N -1 1 591.535 8.706 50 0 KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000102863329 555093308 /nfs/dbraw/zinc/09/33/08/555093308.db2.gz XTCNFCBEFBQSMD-CGKQSPDFSA-N -1 1 591.535 8.706 50 0 KKAAMM COc1cccc(CN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)c1OC ZINC000102867715 555097079 /nfs/dbraw/zinc/09/70/79/555097079.db2.gz LOEUUZYOQDIWCT-DEOSSOPVSA-N -1 1 559.450 6.481 50 0 KKAAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000102881236 555109846 /nfs/dbraw/zinc/10/98/46/555109846.db2.gz CHHCQTYTAZDVOS-JMQGSBJISA-N -1 1 502.592 6.172 50 0 KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccncc2)cc1 ZINC000102882329 555110675 /nfs/dbraw/zinc/11/06/75/555110675.db2.gz NPJQNJOFBIHDAY-JPZYQRIQSA-N -1 1 523.633 6.794 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1 ZINC000102885732 555115819 /nfs/dbraw/zinc/11/58/19/555115819.db2.gz BHFQQRSNVKKOGL-DEOSSOPVSA-N -1 1 559.450 6.481 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1OC ZINC000102885628 555115851 /nfs/dbraw/zinc/11/58/51/555115851.db2.gz NUBNIRPXKPYLDA-RUZDIDTESA-N -1 1 589.476 6.489 50 0 KKAAMM Nc1c(Cl)cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000102910373 555142732 /nfs/dbraw/zinc/14/27/32/555142732.db2.gz NNBDAMDQMXKOLS-UHFFFAOYSA-N -1 1 519.237 5.864 50 0 KKAAMM 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KKAAMM O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000102993488 555193633 /nfs/dbraw/zinc/19/36/33/555193633.db2.gz NYZNEUYQRVZTDI-UHFFFAOYSA-N -1 1 517.298 5.660 50 0 KKAAMM Cc1cc(C)cc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc2Cl)c1 ZINC000102999383 555199072 /nfs/dbraw/zinc/19/90/72/555199072.db2.gz AWOWRRNTTLJWSJ-UHFFFAOYSA-N -1 1 527.014 6.090 50 0 KKAAMM Cc1ccc(-c2cc3nc(SCc4cc(=O)oc5cc([O-])ccc45)n(Cc4ccccc4)c(=O)c3s2)cc1 ZINC000103080197 555259078 /nfs/dbraw/zinc/25/90/78/555259078.db2.gz GVAYJFBKLKKPNM-UHFFFAOYSA-N -1 1 538.650 6.586 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c1)C[C@H](C)CC2 ZINC000103114600 555287320 /nfs/dbraw/zinc/28/73/20/555287320.db2.gz YEOJXQJKCRLAOR-MSOLQXFVSA-N -1 1 600.715 5.043 50 0 KKAAMM COc1ncc(-c2ccc3nc(N)n(-c4ccccc4C(F)(F)F)c(=O)c3c2)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000103264410 555346967 /nfs/dbraw/zinc/34/69/67/555346967.db2.gz MSRFVAYVUUHQCN-UHFFFAOYSA-N -1 1 603.529 5.136 50 0 KKAAMM O=C1C(Nc2ccccc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000103389463 555375695 /nfs/dbraw/zinc/37/56/95/555375695.db2.gz LIQBHFULRSBWGO-UHFFFAOYSA-N -1 1 595.624 6.495 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000103396719 555382403 /nfs/dbraw/zinc/38/24/03/555382403.db2.gz XHDCCIUZXJUACT-UHFFFAOYSA-N -1 1 585.707 6.102 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC3=C(Nc4ccc(C)c(C)c4)C(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000103397199 555383168 /nfs/dbraw/zinc/38/31/68/555383168.db2.gz UDDGZKLOCBZCSI-UHFFFAOYSA-N -1 1 573.696 5.990 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C(=O)NCc4ccccc4)n3Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000103419667 555400289 /nfs/dbraw/zinc/40/02/89/555400289.db2.gz QXNXAUBZNLTGBF-UHFFFAOYSA-N -1 1 577.628 6.748 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103425931 555406598 /nfs/dbraw/zinc/40/65/98/555406598.db2.gz CCGZDXAPRCHMJU-UHFFFAOYSA-N 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COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCc3ccccn3)cc2)cc1OC ZINC000263585570 572119149 /nfs/dbraw/zinc/11/91/49/572119149.db2.gz KEADQWTZOMHHRW-JOCHJYFZSA-N -1 1 551.551 5.598 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCC(C)C)c(OC)c2)cc1OC ZINC000263585564 572119266 /nfs/dbraw/zinc/11/92/66/572119266.db2.gz KCCLHZXDYJOFDN-IBGZPJMESA-N -1 1 546.572 5.667 50 0 KKAAMM COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)c1 ZINC000263586610 572124241 /nfs/dbraw/zinc/12/42/41/572124241.db2.gz WDBMFVQERIDONC-HXUWFJFHSA-N -1 1 626.570 5.457 50 0 KKAAMM COc1ccc(-c2cc(=O)c3c([O-])cc(OC)c(-c4cc([C@@H]5CC(=O)c6c(O)cc(OC)cc6O5)ccc4O)c3o2)cc1 ZINC000238773237 572188138 /nfs/dbraw/zinc/18/81/38/572188138.db2.gz BZHLYSWNQTVRDR-MHZLTWQESA-N -1 1 582.561 5.976 50 0 KKAAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc2c1OCCO2 ZINC000253397895 572284324 /nfs/dbraw/zinc/28/43/24/572284324.db2.gz BQXCRGMFSCPDOG-MRXNPFEDSA-N -1 1 506.894 5.040 50 0 KKAAMM COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253408546 572287020 /nfs/dbraw/zinc/28/70/20/572287020.db2.gz KVLGIWVMRWRSNE-XMMPIXPASA-N -1 1 599.035 6.899 50 0 KKAAMM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)o2)cc1 ZINC000253411951 572287763 /nfs/dbraw/zinc/28/77/63/572287763.db2.gz PKJIZGIWADNKBC-SFHVURJKSA-N -1 1 528.900 6.218 50 0 KKAAMM COc1ccc2nc(N3CCOCC3)c([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253414059 572288654 /nfs/dbraw/zinc/28/86/54/572288654.db2.gz WIRSKEVYAYYJDP-NRFANRHFSA-N -1 1 585.012 5.653 50 0 KKAAMM C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000254843322 572303769 /nfs/dbraw/zinc/30/37/69/572303769.db2.gz LFQUEZXNGIVXPA-SBXFPEDDSA-N -1 1 665.042 9.130 50 0 KKAAMM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccccc6)coc5c43)cc2)cc1 ZINC000524729655 1069825162 /nfs/dbraw/zinc/82/51/62/1069825162.db2.gz CEGZGTMRGSNNEO-VWLOTQADSA-N -1 1 534.564 6.237 50 0 KKAAMM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccccc6)coc-5c43)cc2)cc1 ZINC000524729655 1069825185 /nfs/dbraw/zinc/82/51/85/1069825185.db2.gz CEGZGTMRGSNNEO-VWLOTQADSA-N -1 1 534.564 6.237 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 ZINC000107348437 1071078774 /nfs/dbraw/zinc/07/87/74/1071078774.db2.gz IKDLWQULZMJUTK-UHFFFAOYSA-N -1 1 619.809 7.136 50 0 KKAAMM O=C(NN=Cc1ccc(OC(F)F)cc1OC(F)F)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000263631565 1071155754 /nfs/dbraw/zinc/15/57/54/1071155754.db2.gz BDDWBVRUWIIAIE-UHFFFAOYSA-N -1 1 545.898 5.108 50 0 KKAAMM O=C1C[C@@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000604404306 1071269271 /nfs/dbraw/zinc/26/92/71/1071269271.db2.gz BXQKWGAEEQZOOD-DEOSSOPVSA-N -1 1 546.575 6.163 50 0 KKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000604404306 1071269275 /nfs/dbraw/zinc/26/92/75/1071269275.db2.gz BXQKWGAEEQZOOD-DEOSSOPVSA-N -1 1 546.575 6.163 50 0 KKAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)O4)cc1O ZINC000217914388 1071293966 /nfs/dbraw/zinc/29/39/66/1071293966.db2.gz AMLCPQUTXNHDEU-KRWDZBQOSA-N -1 1 518.518 5.117 50 0 biogenic KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NN=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c2)cc1 ZINC000254439310 1072855457 /nfs/dbraw/zinc/85/54/57/1072855457.db2.gz MJGOUSIZQPCHBT-UHFFFAOYSA-N -1 1 537.041 5.321 50 0 KKAAMM Cc1cc(C(=O)C(C#N)=NNc2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254514201 1072861171 /nfs/dbraw/zinc/86/11/71/1072861171.db2.gz MOIWPMFIAVIWAX-UHFFFAOYSA-N -1 1 656.168 5.829 50 0 KKAAMM Cc1nn(-c2ccc(F)cc2)c(Cl)c1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000254520713 1072862386 /nfs/dbraw/zinc/86/23/86/1072862386.db2.gz 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/nfs/dbraw/zinc/63/50/27/551635027.db2.gz QENICHVYFDCGBK-WYRIXSBYSA-N -1 1 580.321 6.297 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCC1=CCCCC1 ZINC000001287652 551636737 /nfs/dbraw/zinc/63/67/37/551636737.db2.gz AVFRNMDNTJSZPX-HSZRJFAPSA-N -1 1 584.561 7.885 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322812 551641979 /nfs/dbraw/zinc/64/19/79/551641979.db2.gz VKYYZPMKCOBDIH-WHLCRQNOSA-N -1 1 514.534 5.481 50 0 KKAAMM O=c1cc(CSc2ccc(Cl)cc2)nc(Sc2c(=O)[nH]c3cc(Cl)ccc3c2-c2ccccc2Cl)[n-]1 ZINC000001863631 551717535 /nfs/dbraw/zinc/71/75/35/551717535.db2.gz ORHUURZXWBULNP-UHFFFAOYSA-N -1 1 572.926 8.094 50 0 KKAAMM O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002193905 551791571 /nfs/dbraw/zinc/79/15/71/551791571.db2.gz LYULNIQAEJNRJT-UHFFFAOYSA-N -1 1 527.631 5.105 50 0 KKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])n1 ZINC000002449919 552122882 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600.516 5.327 50 0 KKAAMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000008384653 552989828 /nfs/dbraw/zinc/98/98/28/552989828.db2.gz MHWJCLNMTGWVEN-UHFFFAOYSA-N -1 1 642.597 6.085 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cc(Br)ccc1O ZINC000008442327 553043307 /nfs/dbraw/zinc/04/33/07/553043307.db2.gz JJEXBIHDXUVUGL-UHFFFAOYSA-N -1 1 531.410 5.734 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cc(OC)ccc3OC)ccc2N2CCCCC2)cc1 ZINC000008686754 553115847 /nfs/dbraw/zinc/11/58/47/553115847.db2.gz QQWGZCDMOFUAQE-FRKPEAEDSA-N -1 1 551.665 5.155 50 0 KKAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1c2ccccc2CCc2ccccc21 ZINC000008717055 553128813 /nfs/dbraw/zinc/12/88/13/553128813.db2.gz KSJBTVLLXPIOAA-UHFFFAOYSA-N -1 1 520.079 6.271 50 0 KKAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1Cl ZINC000008757014 553136439 /nfs/dbraw/zinc/13/64/39/553136439.db2.gz XEQMIJANJXPRBC-UHFFFAOYSA-N -1 1 506.049 5.005 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2N2CCCCC2)cc1 ZINC000008812810 553150415 /nfs/dbraw/zinc/15/04/15/553150415.db2.gz UTUMTIXXJHEZBM-UHFFFAOYSA-N -1 1 512.075 5.412 50 0 KKAAMM O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000008815808 553151644 /nfs/dbraw/zinc/15/16/44/553151644.db2.gz WGJLEJFDQFQOEX-UHFFFAOYSA-N -1 1 507.571 5.393 50 0 KKAAMM COCc1oc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)c1C(=O)OC ZINC000008871961 553171974 /nfs/dbraw/zinc/17/19/74/553171974.db2.gz CIVXULVISMAEEV-UHFFFAOYSA-N -1 1 504.358 5.082 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000008934209 553192596 /nfs/dbraw/zinc/19/25/96/553192596.db2.gz GIKHXEUTRYHSES-HSZRJFAPSA-N -1 1 513.425 6.506 50 0 KKAAMM COC(=O)CCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000009144982 553214009 /nfs/dbraw/zinc/21/40/09/553214009.db2.gz OHZQIDDAZNMKHZ-HXUWFJFHSA-N -1 1 509.390 5.217 50 0 KKAAMM 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Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000009432232 553261989 /nfs/dbraw/zinc/26/19/89/553261989.db2.gz NIGNENWNVWHACY-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432279 553262299 /nfs/dbraw/zinc/26/22/99/553262299.db2.gz CGDXLLWJNXKQLS-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1F ZINC000009432307 553262412 /nfs/dbraw/zinc/26/24/12/553262412.db2.gz GAUNNRZYPQPBMW-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009432289 553262433 /nfs/dbraw/zinc/26/24/33/553262433.db2.gz QEPKZKSSNHUSPH-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432304 553262457 /nfs/dbraw/zinc/26/24/57/553262457.db2.gz GQKRCCDFGBUSHB-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1F ZINC000009432305 553262482 /nfs/dbraw/zinc/26/24/82/553262482.db2.gz GAUNNRZYPQPBMW-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1C ZINC000009730539 553302128 /nfs/dbraw/zinc/30/21/28/553302128.db2.gz HFBXVDAMRNOTGI-GCUVURNUSA-N -1 1 517.610 7.517 50 0 KKAAMM COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000009779249 553307366 /nfs/dbraw/zinc/30/73/66/553307366.db2.gz OEMVHHYUJCVLMF-UHFFFAOYSA-N -1 1 517.006 7.162 50 0 KKAAMM CCc1nn(-c2ccccc2)c2nc(-c3cc(Br)ccc3[O-])c3cc(OC)c(OC)cc3c12 ZINC000010013945 553326209 /nfs/dbraw/zinc/32/62/09/553326209.db2.gz PZUFEVKZQKVTLH-UHFFFAOYSA-N -1 1 504.384 6.288 50 0 KKAAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c2cccc3c2c1NC3=O ZINC000011852751 553345699 /nfs/dbraw/zinc/34/56/99/553345699.db2.gz UUSYZGSDAVIDDL-UHFFFAOYSA-N -1 1 576.483 5.931 50 0 KKAAMM CC(=O)c1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252893 553355916 /nfs/dbraw/zinc/35/59/16/553355916.db2.gz IJOORXNNYBWTNF-UHFFFAOYSA-N -1 1 505.621 5.151 50 0 KKAAMM O=C(/C=C/c1cccs1)Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl ZINC000012311429 553357393 /nfs/dbraw/zinc/35/73/93/553357393.db2.gz FGPJQUDGRDCYRV-JXMROGBWSA-N -1 1 501.001 6.169 50 0 KKAAMM CCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000012463508 553367285 /nfs/dbraw/zinc/36/72/85/553367285.db2.gz RJRKUZASKJDNHQ-UHFFFAOYSA-N -1 1 522.649 6.835 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3F)ccc2N2CCCCC2)cc1 ZINC000012580321 553399054 /nfs/dbraw/zinc/39/90/54/553399054.db2.gz OLSRLLNMGZEBGA-UHFFFAOYSA-N -1 1 501.555 5.017 50 0 KKAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1ccc2ccccc2c1 ZINC000012623165 553404079 /nfs/dbraw/zinc/40/40/79/553404079.db2.gz DOFYHFZVJVPTHL-UHFFFAOYSA-N -1 1 512.012 5.126 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000013150151 553456477 /nfs/dbraw/zinc/45/64/77/553456477.db2.gz UAGIIGUPTQJKJI-UHFFFAOYSA-N -1 1 507.395 5.404 50 0 KKAAMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cc4ccccc4)cc(Cl)c3[O-])C2=O)cc1C ZINC000013945820 553497333 /nfs/dbraw/zinc/49/73/33/553497333.db2.gz OBSWVJRHVURDPL-OEAKJJBVSA-N -1 1 507.011 5.928 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000015910190 553540686 /nfs/dbraw/zinc/54/06/86/553540686.db2.gz CYYNHJZNOIJKHF-UHFFFAOYSA-N -1 1 529.684 5.325 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCc2cccc(C(F)(F)F)c2)s1 ZINC000016977049 553586099 /nfs/dbraw/zinc/58/60/99/553586099.db2.gz CDMPVBXBBFFAKE-UHFFFAOYSA-N -1 1 510.950 6.718 50 0 KKAAMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)C1 ZINC000017244558 553591325 /nfs/dbraw/zinc/59/13/25/553591325.db2.gz MFMVCMIRDQEBNH-HDICACEKSA-N -1 1 521.664 5.588 50 0 KKAAMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(Cc2ccccc2)CC1)c1cc(-c2cccs2)on1 ZINC000020464686 553656694 /nfs/dbraw/zinc/65/66/94/553656694.db2.gz RASVRTDWBOKQTB-UHFFFAOYSA-N -1 1 512.591 5.360 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490524 553660328 /nfs/dbraw/zinc/66/03/28/553660328.db2.gz JZXNGQCCHVHDFK-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490578 553660752 /nfs/dbraw/zinc/66/07/52/553660752.db2.gz AMQARNOOQLZPGV-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490584 553660799 /nfs/dbraw/zinc/66/07/99/553660799.db2.gz OSPOSOQUQVFKEM-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490765 553661942 /nfs/dbraw/zinc/66/19/42/553661942.db2.gz JPTWZPRSYHWESN-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000020490836 553662420 /nfs/dbraw/zinc/66/24/20/553662420.db2.gz DXXYOBFZJITUIW-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490825 553662505 /nfs/dbraw/zinc/66/25/05/553662505.db2.gz YBIRRHGVVMGIIA-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490789 553662531 /nfs/dbraw/zinc/66/25/31/553662531.db2.gz ADUMCNZFXDWZJV-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490899 553662794 /nfs/dbraw/zinc/66/27/94/553662794.db2.gz JMMMNCCXCNTVFD-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490968 553663175 /nfs/dbraw/zinc/66/31/75/553663175.db2.gz URGKPIKEVZIJCN-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490960 553663353 /nfs/dbraw/zinc/66/33/53/553663353.db2.gz QIWOJPPUVCUHNC-ILBGXUMGSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490978 553663550 /nfs/dbraw/zinc/66/35/50/553663550.db2.gz BDWDECTYOXTUTC-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020490986 553663637 /nfs/dbraw/zinc/66/36/37/553663637.db2.gz GCDUNJJSKSNRPQ-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020491041 553664086 /nfs/dbraw/zinc/66/40/86/553664086.db2.gz JHRMQBKGLBLMCH-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020491187 553664396 /nfs/dbraw/zinc/66/43/96/553664396.db2.gz FXLPAJXCOHUXBN-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491204 553664437 /nfs/dbraw/zinc/66/44/37/553664437.db2.gz DPEICHWLFIRBHE-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491260 553664692 /nfs/dbraw/zinc/66/46/92/553664692.db2.gz PSRFLZCKOQKCOR-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491234 553664808 /nfs/dbraw/zinc/66/48/08/553664808.db2.gz INLNTDZCGZSFMV-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491258 553664913 /nfs/dbraw/zinc/66/49/13/553664913.db2.gz PSRFLZCKOQKCOR-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491398 553665136 /nfs/dbraw/zinc/66/51/36/553665136.db2.gz CXVIXKPUQSBGAD-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491400 553665230 /nfs/dbraw/zinc/66/52/30/553665230.db2.gz CXVIXKPUQSBGAD-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491410 553665252 /nfs/dbraw/zinc/66/52/52/553665252.db2.gz PMYYDFJUWLWKIW-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cccc(C)c5)cc4c3c2)c1 ZINC000020032859 553666581 /nfs/dbraw/zinc/66/65/81/553666581.db2.gz WJHNOQXHKOWHEP-UHFFFAOYSA-N -1 1 506.605 5.804 50 0 KKAAMM Cc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4sc5ccccc5c4Cl)s3)CC2=O)cc1Cl ZINC000020582132 553676305 /nfs/dbraw/zinc/67/63/05/553676305.db2.gz QNOMARJDICPBOT-LBPRGKRZSA-N -1 1 503.436 6.141 50 0 KKAAMM O=C(c1ccc(NCc2ccc(F)cc2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCCC1 ZINC000020663461 553685900 /nfs/dbraw/zinc/68/59/00/553685900.db2.gz KSBKOPLIAFDGRL-UHFFFAOYSA-N -1 1 521.536 5.493 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000020850100 553699639 /nfs/dbraw/zinc/69/96/39/553699639.db2.gz FTHDGKJFTNYXTI-KAYWLYCHSA-N -1 1 510.663 6.044 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020903545 553701326 /nfs/dbraw/zinc/70/13/26/553701326.db2.gz DMPDWJBYQOLIJC-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903580 553701448 /nfs/dbraw/zinc/70/14/48/553701448.db2.gz JQJLCIYTJJYTDV-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020903573 553701493 /nfs/dbraw/zinc/70/14/93/553701493.db2.gz JBSIVDFEKBINSF-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903563 553701558 /nfs/dbraw/zinc/70/15/58/553701558.db2.gz FWBOECHMLJFCPK-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903666 553701906 /nfs/dbraw/zinc/70/19/06/553701906.db2.gz ODFYAKRZXCGTSE-GOTSBHOMSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020903633 553701947 /nfs/dbraw/zinc/70/19/47/553701947.db2.gz YPYGLDUMZZFPMD-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000020903700 553702303 /nfs/dbraw/zinc/70/23/03/553702303.db2.gz KSTJXKIXKSLFIP-FTJBHMTQSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020903726 553702331 /nfs/dbraw/zinc/70/23/31/553702331.db2.gz IWNYRWXEYKZBHA-LOSJGSFVSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903772 553702526 /nfs/dbraw/zinc/70/25/26/553702526.db2.gz PGTIRROQRYQBAT-SVBPBHIXSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000020903970 553703016 /nfs/dbraw/zinc/70/30/16/553703016.db2.gz MXBYVFRZOLVLRC-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020904004 553703231 /nfs/dbraw/zinc/70/32/31/553703231.db2.gz SIEFSQLMHKXBQS-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904032 553703286 /nfs/dbraw/zinc/70/32/86/553703286.db2.gz FJCHWJCMNXVEMS-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904020 553703371 /nfs/dbraw/zinc/70/33/71/553703371.db2.gz JNSYLBRMPKFHDG-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000020904056 553703553 /nfs/dbraw/zinc/70/35/53/553703553.db2.gz UCMAUUMULGYTCJ-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)c1 ZINC000020904085 553703595 /nfs/dbraw/zinc/70/35/95/553703595.db2.gz NIDZTYRXNHLWLQ-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM CCN(CC)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000096021928 553718351 /nfs/dbraw/zinc/71/83/51/553718351.db2.gz YKNMEALJKXIOBM-UHFFFAOYSA-N -1 1 586.519 5.212 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000096275148 553731923 /nfs/dbraw/zinc/73/19/23/553731923.db2.gz YNFYGSAPNKIINT-UHFFFAOYSA-N -1 1 524.086 6.146 50 0 KKAAMM COc1ccc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1 ZINC000097949730 553802765 /nfs/dbraw/zinc/80/27/65/553802765.db2.gz CRPZYUJCRWARDO-HSZRJFAPSA-N -1 1 529.424 6.472 50 0 KKAAMM Cc1ccc(C=C(c2nnn[n-]2)c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000027562573 553834954 /nfs/dbraw/zinc/83/49/54/553834954.db2.gz XBIUGSZJSKWPDO-PXLXIMEGSA-N -1 1 513.026 6.435 50 0 KKAAMM Cc1ccc(C=C(c2nn[n-]n2)c2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000027562573 553834956 /nfs/dbraw/zinc/83/49/56/553834956.db2.gz XBIUGSZJSKWPDO-PXLXIMEGSA-N -1 1 513.026 6.435 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)N2CCCc3ccccc32)s1 ZINC000097961451 553877923 /nfs/dbraw/zinc/87/79/23/553877923.db2.gz JUDSZXAAGVYJDW-UHFFFAOYSA-N -1 1 526.043 5.479 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2nc3ccccc3s2)s1 ZINC000097961447 553877937 /nfs/dbraw/zinc/87/79/37/553877937.db2.gz IVSDRMXXQRIMGK-UHFFFAOYSA-N -1 1 543.055 5.748 50 0 KKAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000032958515 553881695 /nfs/dbraw/zinc/88/16/95/553881695.db2.gz ZSYABLIHABCSNR-UHFFFAOYSA-N -1 1 507.685 5.995 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000097965192 553903635 /nfs/dbraw/zinc/90/36/35/553903635.db2.gz ZARXWDMTYZVJNC-CWJACEIZSA-N -1 1 618.105 7.856 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(F)cc6)CCC[C@H]5[C@@H]4c4ccc(F)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965232 553903926 /nfs/dbraw/zinc/90/39/26/553903926.db2.gz KBZNQVPRYMNITJ-UUVCOMJGSA-N -1 1 651.779 9.824 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(F)cc6)CCC[C@@H]5[C@H]4c4ccc(F)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965233 553903950 /nfs/dbraw/zinc/90/39/50/553903950.db2.gz KBZNQVPRYMNITJ-KBMZAOEJSA-N -1 1 651.779 9.824 50 0 KKAAMM Cc1ccccc1CSC1=N[C@H](c2cccc(Br)c2)[C@]2(C(=O)[N-]C(=O)NC2=O)[C@H](c2cccc(Br)c2)N1 ZINC000033357606 553949376 /nfs/dbraw/zinc/94/93/76/553949376.db2.gz ZGAYXYKGKIICMC-SZPZYZBQSA-N -1 1 642.373 6.388 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 ZINC000097971227 553961588 /nfs/dbraw/zinc/96/15/88/553961588.db2.gz YLFDOCFAUXVIDQ-UKAOISJMSA-N -1 1 562.047 6.764 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccccc6)CCC[C@H]5[C@@H]4c4ccccc4)s3)c(=O)oc2cc1[O-] ZINC000097971257 553962000 /nfs/dbraw/zinc/96/20/00/553962000.db2.gz HWZWENZDLZHAKM-YPMCOIBTSA-N -1 1 615.799 9.546 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ccc2N2CCOCC2)cc1 ZINC000097980431 553988729 /nfs/dbraw/zinc/98/87/29/553988729.db2.gz TYNDUTFCFKMKJS-GIJQJNRQSA-N -1 1 653.736 5.976 50 0 KKAAMM O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000097980586 553989859 /nfs/dbraw/zinc/98/98/59/553989859.db2.gz DXWYXHJQXAQDNR-WTDSWWLTSA-N -1 1 516.233 6.753 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1N1CCCCC1 ZINC000097981308 553992923 /nfs/dbraw/zinc/99/29/23/553992923.db2.gz OHEOBSYJOJOKHP-UHFFFAOYSA-N -1 1 593.174 7.732 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000097983920 554012723 /nfs/dbraw/zinc/01/27/23/554012723.db2.gz GGMDPSCZEQJNJL-YEFWOELRSA-N -1 1 615.677 7.943 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000097984426 554016838 /nfs/dbraw/zinc/01/68/38/554016838.db2.gz BQWHNOAIHYJWSK-CCDXSZQJSA-N -1 1 739.917 9.103 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)NCc2ccccc2Cl)s1 ZINC000097987881 554027786 /nfs/dbraw/zinc/02/77/86/554027786.db2.gz PWHHUZROOOIBFJ-UHFFFAOYSA-N -1 1 534.450 5.469 50 0 KKAAMM Cc1cccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000035910489 554094202 /nfs/dbraw/zinc/09/42/02/554094202.db2.gz MHWYSQDLAZAERY-QFIPXVFZSA-N -1 1 503.443 5.337 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C(=O)NCc4ccccc4)n3Cc3ccccc3F)c2)cc1 ZINC000098021267 554117735 /nfs/dbraw/zinc/11/77/35/554117735.db2.gz UZMGVMFAHLEBAJ-UHFFFAOYSA-N -1 1 569.702 6.857 50 0 KKAAMM COC(=O)CN([C@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000098023295 554120813 /nfs/dbraw/zinc/12/08/13/554120813.db2.gz SWNWVVBNCSGNBX-SSEXGKCCSA-N -1 1 657.608 5.820 50 0 KKAAMM COC(=O)CN([C@@H](c1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000098023296 554120904 /nfs/dbraw/zinc/12/09/04/554120904.db2.gz SWNWVVBNCSGNBX-PMERELPUSA-N -1 1 657.608 5.820 50 0 KKAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)N(Cc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000098043466 554127729 /nfs/dbraw/zinc/12/77/29/554127729.db2.gz OZCKGPUUXRDKHY-UHFFFAOYSA-N -1 1 586.742 7.965 50 0 KKAAMM O=C1c2cccc3cccc(c32)C(=O)N1CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000098048865 554162378 /nfs/dbraw/zinc/16/23/78/554162378.db2.gz AWAKAHDLGYTZGA-UHFFFAOYSA-N -1 1 524.520 5.498 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000040485261 554287139 /nfs/dbraw/zinc/28/71/39/554287139.db2.gz BAEYWRQTLUNWQN-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM CCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100425572 554387078 /nfs/dbraw/zinc/38/70/78/554387078.db2.gz KRGUHEFHVZDSHH-NDEPHWFRSA-N -1 1 506.599 6.141 50 0 KKAAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000100427104 554389454 /nfs/dbraw/zinc/38/94/54/554389454.db2.gz CDWGTSZSUYMQAZ-ADXZGYQBSA-N -1 1 516.619 6.480 50 0 KKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 ZINC000059647117 554417771 /nfs/dbraw/zinc/41/77/71/554417771.db2.gz LGOGJSDOIUZADP-UHFFFAOYSA-N -1 1 576.911 5.161 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)c1 ZINC000059651228 554418250 /nfs/dbraw/zinc/41/82/50/554418250.db2.gz LFJZVNNWAGOXCH-SSEXGKCCSA-N -1 1 557.697 5.822 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1Br ZINC000059651343 554418306 /nfs/dbraw/zinc/41/83/06/554418306.db2.gz MNXKFGAAOQMWFX-UHFFFAOYSA-N -1 1 545.864 5.021 50 0 KKAAMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c2ccc(C)c(C)c2)cc1 ZINC000059651561 554418802 /nfs/dbraw/zinc/41/88/02/554418802.db2.gz FRPZDQDEANFSNQ-UHFFFAOYSA-N -1 1 591.755 5.864 50 0 KKAAMM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(=C1[O-])C(C(=O)c1ccccc1)=NN2c1ccc(Br)cc1 ZINC000100893607 554513254 /nfs/dbraw/zinc/51/32/54/554513254.db2.gz YNWQZIVVYMLXNM-RBBKRZOGSA-N -1 1 522.786 5.028 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(OC)c5OC)no4)c(C)c3c2)cc1 ZINC000064775174 554515443 /nfs/dbraw/zinc/51/54/43/554515443.db2.gz RYRTUJSDXWBWHR-UHFFFAOYSA-N -1 1 521.551 5.285 50 0 KKAAMM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cc4ccccc4Cl)cc(Cl)c3[O-])C2=O)cc1C ZINC000101094846 554584242 /nfs/dbraw/zinc/58/42/42/554584242.db2.gz SKWTWSMEHCVRKD-YDZHTSKRSA-N -1 1 541.456 6.582 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290215 554707723 /nfs/dbraw/zinc/70/77/23/554707723.db2.gz IWVXXYRKBVWSRK-SXOMAYOGSA-N -1 1 542.661 5.580 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290205 554707733 /nfs/dbraw/zinc/70/77/33/554707733.db2.gz CMUFZOYIKSPTBS-FTJBHMTQSA-N -1 1 547.080 6.225 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c(C)c1 ZINC000101291659 554708560 /nfs/dbraw/zinc/70/85/60/554708560.db2.gz UGIDRQUESZCQGS-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)CSc1[n-]c(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000101291246 554708659 /nfs/dbraw/zinc/70/86/59/554708659.db2.gz LNQHWXGALOEKJC-UHFFFAOYSA-N -1 1 528.055 5.611 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292514 554709105 /nfs/dbraw/zinc/70/91/05/554709105.db2.gz IXWXAZAVYZPXAB-JWQCQUIFSA-N -1 1 551.043 5.974 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4cccc(Br)c4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101292594 554709399 /nfs/dbraw/zinc/70/93/99/554709399.db2.gz CIGXNPFGBQBYGI-ZEQRLZLVSA-N -1 1 565.468 6.075 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292852 554709427 /nfs/dbraw/zinc/70/94/27/554709427.db2.gz FZGXEXVSKDRDTN-DNQXCXABSA-N -1 1 555.006 5.805 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292839 554709440 /nfs/dbraw/zinc/70/94/40/554709440.db2.gz MDYWGJUUYREVGN-XZOQPEGZSA-N -1 1 542.970 5.935 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292887 554709660 /nfs/dbraw/zinc/70/96/60/554709660.db2.gz WACZCPCIOXGTFU-GOTSBHOMSA-N -1 1 587.421 6.044 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293434 554710051 /nfs/dbraw/zinc/71/00/51/554710051.db2.gz NIIOBXFOWNUIQE-LOSJGSFVSA-N -1 1 550.587 5.160 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 ZINC000101294248 554710951 /nfs/dbraw/zinc/71/09/51/554710951.db2.gz RUFIAPQFHROTRI-CLJLJLNGSA-N -1 1 579.078 5.544 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(SC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101294705 554711540 /nfs/dbraw/zinc/71/15/40/554711540.db2.gz LDTOQJNNKGDOSB-LOSJGSFVSA-N -1 1 530.675 5.595 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101294821 554711559 /nfs/dbraw/zinc/71/15/59/554711559.db2.gz BZTQOTYLQTYJFR-SHQCIBLASA-N -1 1 558.660 5.199 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(Cl)c3)s2)cc1 ZINC000101295315 554711962 /nfs/dbraw/zinc/71/19/62/554711962.db2.gz GTGJCSJAAWYZBU-AHWVRZQESA-N -1 1 547.080 6.089 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000101295458 554711966 /nfs/dbraw/zinc/71/19/66/554711966.db2.gz YGZSWJJNARQUML-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(Cl)ccc3OC)s2)cc1 ZINC000101295331 554712061 /nfs/dbraw/zinc/71/20/61/554712061.db2.gz BOFCHTQOBUMHAD-AHWVRZQESA-N -1 1 547.080 6.089 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000101295408 554712094 /nfs/dbraw/zinc/71/20/94/554712094.db2.gz VQUOJSBYKPCSNN-RSXGOPAZSA-N -1 1 528.634 5.190 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000101616381 554806220 /nfs/dbraw/zinc/80/62/20/554806220.db2.gz LPWAOQUUUZGVOO-UHFFFAOYSA-N -1 1 570.649 6.794 50 0 KKAAMM CC(C)CN1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000101840760 554842777 /nfs/dbraw/zinc/84/27/77/554842777.db2.gz SFEWJEIVVBDFEA-UHFFFAOYSA-N -1 1 620.978 6.344 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101969221 554854637 /nfs/dbraw/zinc/85/46/37/554854637.db2.gz UAIWNNGNGKIUEH-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969969 554856147 /nfs/dbraw/zinc/85/61/47/554856147.db2.gz QBGLZXXJHZKNJE-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969921 554856220 /nfs/dbraw/zinc/85/62/20/554856220.db2.gz MKMMWOGSAGNWCA-RRPNLBNLSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969967 554856249 /nfs/dbraw/zinc/85/62/49/554856249.db2.gz QBGLZXXJHZKNJE-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101970067 554856562 /nfs/dbraw/zinc/85/65/62/554856562.db2.gz UXXVIPYFAAZONH-IZZNHLLZSA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101970313 554856995 /nfs/dbraw/zinc/85/69/95/554856995.db2.gz OBYPRLXECXKBTO-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1C ZINC000101970414 554857256 /nfs/dbraw/zinc/85/72/56/554857256.db2.gz MHEGWZIVQWGGHK-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101970456 554857325 /nfs/dbraw/zinc/85/73/25/554857325.db2.gz WNZUHSUPILMKCA-VWNXMTODSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101970833 554857875 /nfs/dbraw/zinc/85/78/75/554857875.db2.gz YGXHXMDXLNXAFO-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970782 554857928 /nfs/dbraw/zinc/85/79/28/554857928.db2.gz FVHJDBCQMOOJIU-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000101970891 554858217 /nfs/dbraw/zinc/85/82/17/554858217.db2.gz MJJOVMOOBUGYJL-BJKOFHAPSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000101970840 554858320 /nfs/dbraw/zinc/85/83/20/554858320.db2.gz PYDRHTYKOOMQJW-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000101970848 554858378 /nfs/dbraw/zinc/85/83/78/554858378.db2.gz PYDRHTYKOOMQJW-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000101970888 554858416 /nfs/dbraw/zinc/85/84/16/554858416.db2.gz MJJOVMOOBUGYJL-RPWUZVMVSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970953 554858434 /nfs/dbraw/zinc/85/84/34/554858434.db2.gz SUMRMHUYBBBBGY-AHWVRZQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101971099 554858492 /nfs/dbraw/zinc/85/84/92/554858492.db2.gz ZISBBZZCOXOFLP-BDYUSTAISA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)c1 ZINC000101971064 554858550 /nfs/dbraw/zinc/85/85/50/554858550.db2.gz SYPNORSLCICOSW-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000101970992 554858582 /nfs/dbraw/zinc/85/85/82/554858582.db2.gz AONUDCBAFBPMDW-NOZRDPDXSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101971282 554858897 /nfs/dbraw/zinc/85/88/97/554858897.db2.gz NYDXUDWSHSCWBW-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101971479 554859174 /nfs/dbraw/zinc/85/91/74/554859174.db2.gz SJHNQVJVEUYNMI-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101971416 554859285 /nfs/dbraw/zinc/85/92/85/554859285.db2.gz NKJJVHHGTYEZFD-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101971555 554859499 /nfs/dbraw/zinc/85/94/99/554859499.db2.gz ZXZONAMRQRSPIY-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972282 554860036 /nfs/dbraw/zinc/86/00/36/554860036.db2.gz OXVVRSQYHCBNEG-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101972250 554860053 /nfs/dbraw/zinc/86/00/53/554860053.db2.gz ZMLAWWTYZRTLGN-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972845 554861271 /nfs/dbraw/zinc/86/12/71/554861271.db2.gz COEUBSGLPNJJLL-RPWUZVMVSA-N -1 1 539.007 6.105 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972852 554861391 /nfs/dbraw/zinc/86/13/91/554861391.db2.gz COEUBSGLPNJJLL-DNQXCXABSA-N -1 1 539.007 6.105 50 0 KKAAMM Cc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973306 554862003 /nfs/dbraw/zinc/86/20/03/554862003.db2.gz XEELEVNGLPCRFK-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000101973318 554862300 /nfs/dbraw/zinc/86/23/00/554862300.db2.gz YXMOOYHEBCYXTQ-IZZNHLLZSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101973565 554862668 /nfs/dbraw/zinc/86/26/68/554862668.db2.gz VCYODCHUTWZXRL-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000101977314 554863127 /nfs/dbraw/zinc/86/31/27/554863127.db2.gz FPRXLCRMUVOOGO-UHFFFAOYSA-N -1 1 573.696 6.189 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101977319 554863154 /nfs/dbraw/zinc/86/31/54/554863154.db2.gz QVLKTAHXUJKXEL-UHFFFAOYSA-N -1 1 587.698 6.739 50 0 KKAAMM CC(C)CN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1=O ZINC000101977430 554863157 /nfs/dbraw/zinc/86/31/57/554863157.db2.gz BLOYKCGEYAOTKE-UHFFFAOYSA-N -1 1 549.718 6.051 50 0 KKAAMM CC(C)CN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1=O ZINC000101977487 554863179 /nfs/dbraw/zinc/86/31/79/554863179.db2.gz QVUYOABGAATCLF-UHFFFAOYSA-N -1 1 567.708 6.191 50 0 KKAAMM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000102091909 554877904 /nfs/dbraw/zinc/87/79/04/554877904.db2.gz BCPXJYNUWZJDKW-MGNBDDOMSA-N -1 1 528.310 6.949 50 0 KKAAMM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)c(Cl)c5)cc4)cn3)n2)cc1 ZINC000102278300 554906347 /nfs/dbraw/zinc/90/63/47/554906347.db2.gz ZYHDDHGTRZIUEL-UHFFFAOYSA-N -1 1 539.976 5.250 50 0 KKAAMM O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000102574792 554971229 /nfs/dbraw/zinc/97/12/29/554971229.db2.gz KFDDCKRXKGLNDA-HHHXNRCGSA-N -1 1 607.615 5.890 50 0 KKAAMM O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000102574792 554971231 /nfs/dbraw/zinc/97/12/31/554971231.db2.gz KFDDCKRXKGLNDA-HHHXNRCGSA-N -1 1 607.615 5.890 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000102574796 554971283 /nfs/dbraw/zinc/97/12/83/554971283.db2.gz QAPPBXVZZYSKOT-QFIPXVFZSA-N -1 1 559.571 5.098 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000102574796 554971285 /nfs/dbraw/zinc/97/12/85/554971285.db2.gz QAPPBXVZZYSKOT-QFIPXVFZSA-N -1 1 559.571 5.098 50 0 KKAAMM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000102694645 555009493 /nfs/dbraw/zinc/00/94/93/555009493.db2.gz BDWOKAQBXOQMAD-KPLVRAHFSA-N -1 1 529.298 5.366 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2NCc2ccccc2OC)c1 ZINC000102729433 555023258 /nfs/dbraw/zinc/02/32/58/555023258.db2.gz OIJHULFEWHVAON-UHFFFAOYSA-N -1 1 604.704 5.218 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000102733225 555024334 /nfs/dbraw/zinc/02/43/34/555024334.db2.gz XPBSDSALLIJZFU-UHFFFAOYSA-N -1 1 625.069 5.686 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3Cl)nc2[O-])c1 ZINC000102810581 555074681 /nfs/dbraw/zinc/07/46/81/555074681.db2.gz DMIKSPDQMOBWHC-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000102810947 555074730 /nfs/dbraw/zinc/07/47/30/555074730.db2.gz FFPFTWNYRGBWPC-CLJLJLNGSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc(OC)c1 ZINC000102810989 555074735 /nfs/dbraw/zinc/07/47/35/555074735.db2.gz ZRLNGDSPGUQMEA-CLJLJLNGSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810746 555074849 /nfs/dbraw/zinc/07/48/49/555074849.db2.gz LFVFZLGGRORNQB-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000102881241 555109790 /nfs/dbraw/zinc/10/97/90/555109790.db2.gz CHHCQTYTAZDVOS-XDBZFTIUSA-N -1 1 502.592 6.172 50 0 KKAAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000102881239 555109851 /nfs/dbraw/zinc/10/98/51/555109851.db2.gz CHHCQTYTAZDVOS-WRHNGFHOSA-N -1 1 502.592 6.172 50 0 KKAAMM CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000102928489 555154014 /nfs/dbraw/zinc/15/40/14/555154014.db2.gz AFABQNWLBXVFAS-UHFFFAOYSA-N -1 1 591.553 5.232 50 0 KKAAMM CCOP(=O)(OCC)[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1ccccc1 ZINC000102934654 555161791 /nfs/dbraw/zinc/16/17/91/555161791.db2.gz DMNIBGHATDPPHF-XMMPIXPASA-N -1 1 584.603 6.497 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000102974573 555184001 /nfs/dbraw/zinc/18/40/01/555184001.db2.gz OEYQQJWWJBGSQO-UHFFFAOYSA-N -1 1 562.623 6.665 50 0 KKAAMM COc1cc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)cc(OC)c1 ZINC000102975708 555186002 /nfs/dbraw/zinc/18/60/02/555186002.db2.gz QEANAIVTDVPDFK-CQSZACIVSA-N -1 1 586.972 5.361 50 0 KKAAMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000102999094 555198576 /nfs/dbraw/zinc/19/85/76/555198576.db2.gz CRLIRYHZSKNKIK-UHFFFAOYSA-N -1 1 625.741 5.628 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000103002086 555201675 /nfs/dbraw/zinc/20/16/75/555201675.db2.gz QYSISZZDMDSGBQ-UHFFFAOYSA-N -1 1 614.089 6.707 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3S(=O)(=O)[N-]c3ccccc3)C2=O)cc1C ZINC000103004586 555202830 /nfs/dbraw/zinc/20/28/30/555202830.db2.gz SBSDUTOADHPQQF-XHPQRKPJSA-N -1 1 523.614 5.744 50 0 KKAAMM CCOc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)C2=O)cc1 ZINC000103004964 555203312 /nfs/dbraw/zinc/20/33/12/555203312.db2.gz DBQNJKMYPIVQSS-USHMODERSA-N -1 1 574.058 6.180 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C[C@@H](C)CC2 ZINC000103098478 555275681 /nfs/dbraw/zinc/27/56/81/555275681.db2.gz VKYRIPNKPRTPEP-JKSUJKDBSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C1C(Nc2ccccc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1Cc1ccco1 ZINC000103411109 555396909 /nfs/dbraw/zinc/39/69/09/555396909.db2.gz MJOBGDRNHKRSDX-UHFFFAOYSA-N -1 1 531.615 5.065 50 0 KKAAMM COc1ccc(C)cc1NC1=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000103418852 555398796 /nfs/dbraw/zinc/39/87/96/555398796.db2.gz CUMSNWKGLDEHRX-UHFFFAOYSA-N -1 1 599.734 6.410 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3cccc([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1 ZINC000103428142 555410320 /nfs/dbraw/zinc/41/03/20/555410320.db2.gz GQILGAMCFLWILY-UHFFFAOYSA-N -1 1 610.088 6.278 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC3=C(Nc4ccc(Br)cc4)C(=O)N(C(C)C)C3=O)cc2)cc1 ZINC000103439464 555419503 /nfs/dbraw/zinc/41/95/03/555419503.db2.gz GQHTVFMSZPGHDH-UHFFFAOYSA-N -1 1 586.533 5.751 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(SC3=C(Nc4ccc(C(C)C)cc4)C(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000103439686 555419807 /nfs/dbraw/zinc/41/98/07/555419807.db2.gz MMRRQQBPDAKATG-UHFFFAOYSA-N -1 1 587.723 6.497 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C1=O ZINC000105484644 571405119 /nfs/dbraw/zinc/40/51/19/571405119.db2.gz KGBZMLRABYPDCL-UHFFFAOYSA-N -1 1 600.162 6.085 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3scc(-c4ccccc4)c3C(=O)OCC)c2)cc1 ZINC000150389989 571472277 /nfs/dbraw/zinc/47/22/77/571472277.db2.gz OEXLEFIVCMRKKC-QFIPXVFZSA-N -1 1 634.776 6.919 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc(OC)c1OC ZINC000150401222 571478253 /nfs/dbraw/zinc/47/82/53/571478253.db2.gz IXEFOXKOKWNKSX-RUZDIDTESA-N -1 1 656.580 7.220 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000150407928 571480416 /nfs/dbraw/zinc/48/04/16/571480416.db2.gz LQYBCNSBTUEZNY-UHFFFAOYSA-N -1 1 634.780 5.346 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000150407908 571480479 /nfs/dbraw/zinc/48/04/79/571480479.db2.gz KLVUTDCYNMLVON-UHFFFAOYSA-N -1 1 660.800 7.304 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000150408198 571480604 /nfs/dbraw/zinc/48/06/04/571480604.db2.gz IVFKLHLSSWNDPU-UHFFFAOYSA-N -1 1 669.870 5.369 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000150447733 571501533 /nfs/dbraw/zinc/50/15/33/571501533.db2.gz ZFQQPHVVYAQLHS-UHFFFAOYSA-N -1 1 734.178 6.035 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)ccc1Cl ZINC000150448381 571501567 /nfs/dbraw/zinc/50/15/67/571501567.db2.gz GGQXAZCRTKVQRG-UHFFFAOYSA-N -1 1 685.224 6.201 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000150451114 571502690 /nfs/dbraw/zinc/50/26/90/571502690.db2.gz HMKZKNBAANJIMX-UHFFFAOYSA-N -1 1 645.134 5.170 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4C)c3)ccc2N2CCCCC2)cc1 ZINC000150451449 571503030 /nfs/dbraw/zinc/50/30/30/571503030.db2.gz LVXROSTZNXYLIK-UHFFFAOYSA-N -1 1 648.807 6.156 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000150454702 571504174 /nfs/dbraw/zinc/50/41/74/571504174.db2.gz BMJPRRVCZXSVKZ-UHFFFAOYSA-N -1 1 636.730 6.351 50 0 KKAAMM O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1NC(=O)COc1ccc(Br)cc1 ZINC000150458398 571505468 /nfs/dbraw/zinc/50/54/68/571505468.db2.gz DZABETDWSHSFFN-UHFFFAOYSA-N -1 1 757.379 7.066 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC3CCC(NC(=O)c4cccc(S(=O)(=O)Nc5ccc(C)cc5)c4)CC3)c2)cc1 ZINC000150465209 571507831 /nfs/dbraw/zinc/50/78/31/571507831.db2.gz GFXILTMOPVSYIH-UHFFFAOYSA-N -1 1 661.802 5.803 50 0 KKAAMM O=C(CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1-c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000150465941 571507943 /nfs/dbraw/zinc/50/79/43/571507943.db2.gz CBRKEIDNVIHVBY-UHFFFAOYSA-N -1 1 647.075 7.521 50 0 KKAAMM O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1Cl ZINC000150472172 571509758 /nfs/dbraw/zinc/50/97/58/571509758.db2.gz SLFFLEMUJQSZQG-MUUNZHRXSA-N -1 1 641.071 6.621 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000150482900 571513691 /nfs/dbraw/zinc/51/36/91/571513691.db2.gz CMQYJKNWPXQANZ-UHFFFAOYSA-N -1 1 646.570 5.808 50 0 KKAAMM COC(=O)CN[C@H](c1cccc(Cl)c1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000170612422 571561787 /nfs/dbraw/zinc/56/17/87/571561787.db2.gz YBDXUALXKKBIKL-HSZRJFAPSA-N -1 1 537.863 5.064 50 0 KKAAMM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000170626723 571563140 /nfs/dbraw/zinc/56/31/40/571563140.db2.gz XISNTCKUGHOXHS-GFCCVEGCSA-N -1 1 550.316 7.220 50 0 KKAAMM CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000225927032 572084087 /nfs/dbraw/zinc/08/40/87/572084087.db2.gz MSAZXDIFZLFFSS-OZZMDNJMSA-N -1 1 598.696 7.296 50 0 biogenic KKAAMM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245240191 572213808 /nfs/dbraw/zinc/21/38/08/572213808.db2.gz MWMJSFKBKYSSKJ-BYBRNZAOSA-N -1 1 520.972 5.789 50 0 KKAAMM Cc1cccc(N2CCN(C(=O)c3ccc(N4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)c([N-]S(=O)(=O)c4ccc(Br)cc4)c3)C[C@@H]2C)c1 ZINC000245343675 572239788 /nfs/dbraw/zinc/23/97/88/572239788.db2.gz VWKSNIJCBMOBPP-REUBFRLUSA-N -1 1 716.702 5.695 50 0 KKAAMM COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413047 572288356 /nfs/dbraw/zinc/28/83/56/572288356.db2.gz SVYZBSPULHNCLQ-MRXNPFEDSA-N -1 1 508.910 5.286 50 0 KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccccc6)coc5c43)cc2)cc1 ZINC000524729654 1069825460 /nfs/dbraw/zinc/82/54/60/1069825460.db2.gz CEGZGTMRGSNNEO-RUZDIDTESA-N -1 1 534.564 6.237 50 0 KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccccc6)coc-5c43)cc2)cc1 ZINC000524729654 1069825484 /nfs/dbraw/zinc/82/54/84/1069825484.db2.gz CEGZGTMRGSNNEO-RUZDIDTESA-N -1 1 534.564 6.237 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000102943858 1070981066 /nfs/dbraw/zinc/98/10/66/1070981066.db2.gz GGMDPSCZEQJNJL-DETKDWLASA-N -1 1 615.677 7.943 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@@H]3[C@@H]2c2ccc(OC)cc2)n1 ZINC000112309567 1071341292 /nfs/dbraw/zinc/34/12/92/1071341292.db2.gz KWXPAEFDRPNJAI-HCYRMRKESA-N -1 1 558.704 5.655 50 0 KKAAMM O=[N+]([O-])c1ccc(N=NCc2c3ccccc3[nH]c2-c2ccccc2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000254520030 1072861872 /nfs/dbraw/zinc/86/18/72/1072861872.db2.gz REUGVRDICIFBLS-UHFFFAOYSA-N -1 1 546.008 6.643 50 0 KKAAMM Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000254555707 1072863238 /nfs/dbraw/zinc/86/32/38/1072863238.db2.gz GQAIBJMGWNVXGQ-UHFFFAOYSA-N -1 1 572.872 5.161 50 0 KKAAMM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000001517358 1072890906 /nfs/dbraw/zinc/89/09/06/1072890906.db2.gz HNIWHAKACZOGJS-UHFFFAOYSA-N -1 1 503.356 5.216 50 0 KKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 ZINC000000651586 551512750 /nfs/dbraw/zinc/51/27/50/551512750.db2.gz FWHWSRRKVQZLDI-UHFFFAOYSA-N -1 1 531.417 6.527 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C(=O)c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000718850 551535551 /nfs/dbraw/zinc/53/55/51/551535551.db2.gz ZRNAWEGIOBZVLJ-UHFFFAOYSA-N -1 1 588.629 6.159 50 0 KKAAMM O=C(Oc1c(Br)cc([N-]S(=O)(=O)c2ccccc2)cc1Br)c1ccccc1 ZINC000000822143 551544121 /nfs/dbraw/zinc/54/41/21/551544121.db2.gz CRJCCLSWSCMXAB-UHFFFAOYSA-N -1 1 511.191 5.232 50 0 KKAAMM CC1(C)Cc2c(c3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc3n2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 ZINC000000834400 551546630 /nfs/dbraw/zinc/54/66/30/551546630.db2.gz OBWWROLBLRGVQP-UHFFFAOYSA-N -1 1 577.511 6.141 50 0 KKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1)c1ccccc1 ZINC000000859480 551550700 /nfs/dbraw/zinc/55/07/00/551550700.db2.gz CWLPMDGOMQQKEN-UHFFFAOYSA-N -1 1 505.983 5.645 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCC1=CCCCC1 ZINC000001055072 551600089 /nfs/dbraw/zinc/60/00/89/551600089.db2.gz SLXXLXHBBBSJMR-HSZRJFAPSA-N -1 1 517.457 7.154 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001245088 551631562 /nfs/dbraw/zinc/63/15/62/551631562.db2.gz YLGAAINXBDTYSZ-YKGWIAGDSA-N -1 1 524.573 5.888 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1CCC1=CCCCC1 ZINC000001287653 551636762 /nfs/dbraw/zinc/63/67/62/551636762.db2.gz AVFRNMDNTJSZPX-QHCPKHFHSA-N -1 1 584.561 7.885 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001409032 551663714 /nfs/dbraw/zinc/66/37/14/551663714.db2.gz OFIJUARJFSFIDT-GTYOFVGBSA-N -1 1 538.600 6.197 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001408969 551663757 /nfs/dbraw/zinc/66/37/57/551663757.db2.gz FNWADMKLGSWNIG-UKPGIYTDSA-N -1 1 526.589 6.119 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(SC)cc3)c2cc1OC ZINC000001440104 551672807 /nfs/dbraw/zinc/67/28/07/551672807.db2.gz HCQJHMHLDSREGQ-UHFFFAOYSA-N -1 1 540.663 5.383 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000001464493 551679671 /nfs/dbraw/zinc/67/96/71/551679671.db2.gz XRTRWZAHKQTWPE-UEXGIBASSA-N -1 1 533.717 6.011 50 0 KKAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001758717 551694146 /nfs/dbraw/zinc/69/41/46/551694146.db2.gz OKTLKPXCFDXRRS-UHFFFAOYSA-N -1 1 558.537 7.291 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3C)c3cccc4c3c2SC4=O)c1C ZINC000001795825 551702666 /nfs/dbraw/zinc/70/26/66/551702666.db2.gz IVZHHNZEUSKJDH-UHFFFAOYSA-N -1 1 552.699 5.921 50 0 KKAAMM CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000001900894 551730912 /nfs/dbraw/zinc/73/09/12/551730912.db2.gz UTCYUDYBHIVTMJ-SLQPCKNISA-N -1 1 577.519 6.801 50 0 KKAAMM O=C(N[C@H](Cc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000002139087 551774349 /nfs/dbraw/zinc/77/43/49/551774349.db2.gz HQDHYCCBOCBBIP-RUZDIDTESA-N -1 1 535.552 5.609 50 0 KKAAMM O=C(N[C@H](Cc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000002139087 551774352 /nfs/dbraw/zinc/77/43/52/551774352.db2.gz HQDHYCCBOCBBIP-RUZDIDTESA-N -1 1 535.552 5.609 50 0 KKAAMM Nc1nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c(-c2ccccc2)c(C(F)(F)F)n1 ZINC000002201296 551792694 /nfs/dbraw/zinc/79/26/94/551792694.db2.gz BRWKHRCAURQRGO-UHFFFAOYSA-N -1 1 516.317 6.459 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])nc(N)nc1C(F)(F)F ZINC000002202822 551792886 /nfs/dbraw/zinc/79/28/86/551792886.db2.gz DKNBZRZXNVVVSJ-UHFFFAOYSA-N -1 1 536.337 7.012 50 0 KKAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1c2ccccc2Sc2ccccc21 ZINC000002313433 552091862 /nfs/dbraw/zinc/09/18/62/552091862.db2.gz CKKMXTCSFMEPJL-UHFFFAOYSA-N -1 1 524.092 6.637 50 0 biogenic KKAAMM COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])cc1OC ZINC000002351320 552099934 /nfs/dbraw/zinc/09/99/34/552099934.db2.gz KVUSZDXSGBVRLF-UHFFFAOYSA-N -1 1 512.393 6.310 50 0 KKAAMM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc12 ZINC000002649189 552145931 /nfs/dbraw/zinc/14/59/31/552145931.db2.gz VCIGURAACIVKGO-UHFFFAOYSA-N -1 1 524.574 5.727 50 0 KKAAMM Cc1ccc2oc(-c3cc(NC(=O)c4cc(I)ccc4Cl)ccc3[O-])nc2c1 ZINC000002936485 552227200 /nfs/dbraw/zinc/22/72/00/552227200.db2.gz LZSNOYYVBDQVJE-UHFFFAOYSA-N -1 1 504.711 6.019 50 0 KKAAMM COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(Cl)c(C)c3)c(=O)[n-]2)c1 ZINC000003034366 552269259 /nfs/dbraw/zinc/26/92/59/552269259.db2.gz OPLLBOFLHLUCOB-UHFFFAOYSA-N -1 1 505.046 5.206 50 0 KKAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003242135 552319162 /nfs/dbraw/zinc/31/91/62/552319162.db2.gz LSIXNAZYWBIGPP-UHFFFAOYSA-N -1 1 515.497 5.015 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)NC(c3ccccc3)c3ccccc3)c2)c1 ZINC000003253930 552323703 /nfs/dbraw/zinc/32/37/03/552323703.db2.gz JSIVJYLMIZVZQI-UHFFFAOYSA-N -1 1 528.630 5.167 50 0 KKAAMM O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003305360 552348577 /nfs/dbraw/zinc/34/85/77/552348577.db2.gz MWNYKKBODNXJLL-UHFFFAOYSA-N -1 1 525.508 5.409 50 0 KKAAMM O=C(Nc1nc(COc2ccccc2)cs1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003359320 552370275 /nfs/dbraw/zinc/37/02/75/552370275.db2.gz HJWZQPKZYWYIQJ-UHFFFAOYSA-N -1 1 534.446 6.082 50 0 KKAAMM Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3)cc2)cc1C ZINC000003366313 552373629 /nfs/dbraw/zinc/37/36/29/552373629.db2.gz CXYYTDRHTOAIJS-UHFFFAOYSA-N -1 1 523.079 7.161 50 0 KKAAMM COC(=O)CN1C(=O)N(c2cccc3ccccc32)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000003876644 552421780 /nfs/dbraw/zinc/42/17/80/552421780.db2.gz XYZXOLGWUYQZOG-AREMUKBSSA-N -1 1 512.566 5.436 50 0 KKAAMM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(Nc2[n-]n(-c3ccccc3)c(=O)c2Sc2ccccc2)c1 ZINC000004043661 552430363 /nfs/dbraw/zinc/43/03/63/552430363.db2.gz GKMKRMLAUVZORF-GIWKVKTRSA-N -1 1 676.927 9.791 50 0 KKAAMM O=C(COc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000005942019 552514480 /nfs/dbraw/zinc/51/44/80/552514480.db2.gz QAASHIHDBWDNGN-UHFFFAOYSA-N -1 1 529.334 5.286 50 0 KKAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000006140409 552542946 /nfs/dbraw/zinc/54/29/46/552542946.db2.gz MODPSUXYPDWCSI-LBPRGKRZSA-N -1 1 529.348 5.256 50 0 KKAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006144571 552547010 /nfs/dbraw/zinc/54/70/10/552547010.db2.gz VXWQRBBFGXLLFX-IBGZPJMESA-N -1 1 566.582 5.529 50 0 KKAAMM C[C@@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000006144701 552547070 /nfs/dbraw/zinc/54/70/70/552547070.db2.gz MMSVTUJTJGURDF-HUUCEWRRSA-N -1 1 591.633 5.847 50 0 KKAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(NC(C)=O)cc5)cc4c3c2)cc1 ZINC000006191782 552564884 /nfs/dbraw/zinc/56/48/84/552564884.db2.gz PUHPWGMHAMZOGO-UHFFFAOYSA-N -1 1 592.655 5.104 50 0 KKAAMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000008384521 552989710 /nfs/dbraw/zinc/98/97/10/552989710.db2.gz MYHFAHDBDFUARO-UHFFFAOYSA-N -1 1 690.663 6.205 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3N=C(c4c(=O)[nH]c5ccc(Br)cc5c4-c4ccccc4)C[C@@H]3c3ccc(Br)cc3)cc2)cc1 ZINC000008398805 552999836 /nfs/dbraw/zinc/99/98/36/552999836.db2.gz BMORADAXIPZKFE-UUWRZZSWSA-N -1 1 796.541 8.821 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2ccc(Br)cc2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000008439463 553035799 /nfs/dbraw/zinc/03/57/99/553035799.db2.gz RMYVKKVJJARJOX-UHFFFAOYSA-N -1 1 581.470 7.289 50 0 KKAAMM O=S(=O)([N-]c1cc(Cc2cc(NS(=O)(=O)c3ccccc3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1ccccc1 ZINC000008616703 553102767 /nfs/dbraw/zinc/10/27/67/553102767.db2.gz YCFBFERETPOGBP-UHFFFAOYSA-N -1 1 614.589 6.917 50 0 KKAAMM COc1cc(CN2C(=O)N(c3ccccc3)[C@H](N([O-])C(=O)Nc3ccccc3)C2(C)C)cc(OC)c1OC ZINC000008926396 553191232 /nfs/dbraw/zinc/19/12/32/553191232.db2.gz IUKICRIIIIJUNI-RUZDIDTESA-N -1 1 520.586 5.183 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc(Cl)c2)[C@@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000008934564 553192887 /nfs/dbraw/zinc/19/28/87/553192887.db2.gz DQXIYZJYSKKPGU-LJQANCHMSA-N -1 1 516.048 5.891 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)cc2)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000008951484 553193815 /nfs/dbraw/zinc/19/38/15/553193815.db2.gz LACCZZQFCFXGGI-IBGZPJMESA-N -1 1 516.048 5.891 50 0 KKAAMM CC(C)CCN1C(=O)N(c2cccc3ccccc32)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)C1(C)C ZINC000009144829 553213811 /nfs/dbraw/zinc/21/38/11/553213811.db2.gz NUOFAWYGFFPGKV-NDEPHWFRSA-N -1 1 510.638 7.309 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000009432173 553261358 /nfs/dbraw/zinc/26/13/58/553261358.db2.gz BSSDRFNMFZSUTC-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009432163 553261402 /nfs/dbraw/zinc/26/14/02/553261402.db2.gz VELHCAJHHHCWLD-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432187 553261572 /nfs/dbraw/zinc/26/15/72/553261572.db2.gz MBRKDKZRVJJSIC-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009432193 553261575 /nfs/dbraw/zinc/26/15/75/553261575.db2.gz QFHWJXCLJSDMIK-RRPNLBNLSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432186 553261641 /nfs/dbraw/zinc/26/16/41/553261641.db2.gz BPCMKJATVPZIDI-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000009432220 553261944 /nfs/dbraw/zinc/26/19/44/553261944.db2.gz CKUJVHJRCRENBT-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)c1 ZINC000009432236 553261977 /nfs/dbraw/zinc/26/19/77/553261977.db2.gz ACJGLYFWHOCXCI-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000009432228 553261992 /nfs/dbraw/zinc/26/19/92/553261992.db2.gz JBSIVDFEKBINSF-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009432265 553262198 /nfs/dbraw/zinc/26/21/98/553262198.db2.gz OMWATHXHDDRULR-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000009432269 553262291 /nfs/dbraw/zinc/26/22/91/553262291.db2.gz CEABVFOEOKXODR-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(F)cc1 ZINC000009597256 553283508 /nfs/dbraw/zinc/28/35/08/553283508.db2.gz VJAPDTLSTWSHGJ-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000009597261 553283516 /nfs/dbraw/zinc/28/35/16/553283516.db2.gz IYXVJHFBFHFPAF-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000009597363 553283728 /nfs/dbraw/zinc/28/37/28/553283728.db2.gz NKDZKOJRVYSLCJ-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000009597362 553283739 /nfs/dbraw/zinc/28/37/39/553283739.db2.gz NKDZKOJRVYSLCJ-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009597271 553283791 /nfs/dbraw/zinc/28/37/91/553283791.db2.gz FLCLEAFVYWEHHM-SXOMAYOGSA-N -1 1 526.662 5.880 50 0 KKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011851828 553343892 /nfs/dbraw/zinc/34/38/92/553343892.db2.gz YKTQNNUJMHXNLW-UHFFFAOYSA-N -1 1 502.514 6.430 50 0 KKAAMM COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Br)cc3)cc2[O-])cc1OC ZINC000011866295 553346716 /nfs/dbraw/zinc/34/67/16/553346716.db2.gz BQHXZIOKPDKHDH-UHFFFAOYSA-N -1 1 508.372 5.457 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4C)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000011866371 553346726 /nfs/dbraw/zinc/34/67/26/553346726.db2.gz PIJBDFRMDCYYET-UHFFFAOYSA-N -1 1 511.500 6.022 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000011866377 553346820 /nfs/dbraw/zinc/34/68/20/553346820.db2.gz LDYIQJQGZYEDTN-UHFFFAOYSA-N -1 1 515.463 5.853 50 0 KKAAMM CCOc1ccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252423 553355627 /nfs/dbraw/zinc/35/56/27/553355627.db2.gz SPWAWALDPVCSDS-UHFFFAOYSA-N -1 1 507.637 5.347 50 0 KKAAMM CC(=O)c1ccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012252181 553355676 /nfs/dbraw/zinc/35/56/76/553355676.db2.gz QTFOLKXIDBMJHV-UHFFFAOYSA-N -1 1 505.621 5.151 50 0 KKAAMM CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc2Cl)CC1 ZINC000012563140 553395532 /nfs/dbraw/zinc/39/55/32/553395532.db2.gz AVWJLPKITYBOGU-UHFFFAOYSA-N -1 1 528.074 5.119 50 0 KKAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000012600314 553401442 /nfs/dbraw/zinc/40/14/42/553401442.db2.gz OMPWLEUKXBEKBQ-UHFFFAOYSA-N -1 1 514.553 6.897 50 0 KKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013759232 553488564 /nfs/dbraw/zinc/48/85/64/553488564.db2.gz ZNEGYHPAXNBYEZ-SMIHKQSGSA-N -1 1 502.368 5.290 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1 ZINC000013937419 553496002 /nfs/dbraw/zinc/49/60/02/553496002.db2.gz ASKGXWVJYZILRP-UHFFFAOYSA-N -1 1 500.860 5.934 50 0 KKAAMM CCOC(=O)C1=C(NC(=O)c2oc3ccccc3c2COc2ccccc2)[N-]c2ccccc2N=C1CC ZINC000014359527 553513453 /nfs/dbraw/zinc/51/34/53/553513453.db2.gz KPQLNKHGSZFAAP-UHFFFAOYSA-N -1 1 509.562 6.125 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000020135558 553593432 /nfs/dbraw/zinc/59/34/32/553593432.db2.gz OSGHVCHTVZHCBR-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000020135309 553593465 /nfs/dbraw/zinc/59/34/65/553593465.db2.gz ZYTGUKVOUUUWPS-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000017576577 553598030 /nfs/dbraw/zinc/59/80/30/553598030.db2.gz NVLBPIJEPQJVLO-UHFFFAOYSA-N -1 1 527.838 6.620 50 0 KKAAMM CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000020459694 553654576 /nfs/dbraw/zinc/65/45/76/553654576.db2.gz BTIBDICHDZYSER-INIZCTEOSA-N -1 1 507.439 6.324 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490586 553660739 /nfs/dbraw/zinc/66/07/39/553660739.db2.gz OSPOSOQUQVFKEM-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490568 553660759 /nfs/dbraw/zinc/66/07/59/553660759.db2.gz XMPLHIXGFUECHQ-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1 ZINC000020490654 553661088 /nfs/dbraw/zinc/66/10/88/553661088.db2.gz YUAPJFXHQIUYKS-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490608 553661203 /nfs/dbraw/zinc/66/12/03/553661203.db2.gz NVCGDBMRMCIVKL-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020490672 553661643 /nfs/dbraw/zinc/66/16/43/553661643.db2.gz GMSBZAXTEGUXJC-GOTSBHOMSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020490698 553661697 /nfs/dbraw/zinc/66/16/97/553661697.db2.gz QFHNDUXDOSABRO-LOSJGSFVSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490773 553662014 /nfs/dbraw/zinc/66/20/14/553662014.db2.gz UEPYKASWMPPSOD-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000020490728 553662027 /nfs/dbraw/zinc/66/20/27/553662027.db2.gz HSJWZLIWPHMEET-GOTSBHOMSA-N -1 1 508.525 5.282 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1 ZINC000020490749 553662046 /nfs/dbraw/zinc/66/20/46/553662046.db2.gz JAFWQXFPRRPQSM-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000020490757 553662061 /nfs/dbraw/zinc/66/20/61/553662061.db2.gz BAWMNCLPBFPZRQ-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000020490840 553662349 /nfs/dbraw/zinc/66/23/49/553662349.db2.gz DXXYOBFZJITUIW-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000020490847 553662384 /nfs/dbraw/zinc/66/23/84/553662384.db2.gz DYHSCVCSYNGMJZ-AOYPEHQESA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490887 553662760 /nfs/dbraw/zinc/66/27/60/553662760.db2.gz PMGOROWVTCHDKS-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490934 553663208 /nfs/dbraw/zinc/66/32/08/553663208.db2.gz DHDYUENTGHLPTM-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490930 553663221 /nfs/dbraw/zinc/66/32/21/553663221.db2.gz YKMMZLAVIHGLEM-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490950 553663390 /nfs/dbraw/zinc/66/33/90/553663390.db2.gz SLMAMSLHSSUSTE-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490974 553663717 /nfs/dbraw/zinc/66/37/17/553663717.db2.gz BDWDECTYOXTUTC-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020491118 553664093 /nfs/dbraw/zinc/66/40/93/553664093.db2.gz ZUJCNGGHVVHLTL-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491202 553664294 /nfs/dbraw/zinc/66/42/94/553664294.db2.gz DPEICHWLFIRBHE-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000020491179 553664422 /nfs/dbraw/zinc/66/44/22/553664422.db2.gz YMDKYNSIBWCEDO-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020491181 553664487 /nfs/dbraw/zinc/66/44/87/553664487.db2.gz FXLPAJXCOHUXBN-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183230 553666327 /nfs/dbraw/zinc/66/63/27/553666327.db2.gz TVGNSDOGCLLGGR-JITOJYLYSA-N -1 1 694.953 10.888 50 0 biogenic KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183230 553666331 /nfs/dbraw/zinc/66/63/31/553666331.db2.gz TVGNSDOGCLLGGR-JITOJYLYSA-N -1 1 694.953 10.888 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000085877512 553689418 /nfs/dbraw/zinc/68/94/18/553689418.db2.gz ICHRHVSPYKSFKO-FQEVSTJZSA-N -1 1 516.546 5.659 50 0 biogenic KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000020850106 553699721 /nfs/dbraw/zinc/69/97/21/553699721.db2.gz FTHDGKJFTNYXTI-SXOMAYOGSA-N -1 1 510.663 6.044 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020903543 553701310 /nfs/dbraw/zinc/70/13/10/553701310.db2.gz DMPDWJBYQOLIJC-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903559 553701533 /nfs/dbraw/zinc/70/15/33/553701533.db2.gz ADNYJDXIDPZVNO-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903641 553701880 /nfs/dbraw/zinc/70/18/80/553701880.db2.gz CNRBTTQPSPNVQX-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000020903743 553702218 /nfs/dbraw/zinc/70/22/18/553702218.db2.gz ZBFFXJTUQSIJNZ-AZGAKELHSA-N -1 1 512.635 5.436 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020903805 553702615 /nfs/dbraw/zinc/70/26/15/553702615.db2.gz FGWWFKDRHWCBSO-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903774 553702635 /nfs/dbraw/zinc/70/26/35/553702635.db2.gz PGTIRROQRYQBAT-SXOMAYOGSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903956 553702886 /nfs/dbraw/zinc/70/28/86/553702886.db2.gz MNKXAFWYIFSSDZ-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903991 553703258 /nfs/dbraw/zinc/70/32/58/553703258.db2.gz MGEBLRLXNNWZFO-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903997 553703280 /nfs/dbraw/zinc/70/32/80/553703280.db2.gz BYOWRYZAYRGSKB-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904022 553703312 /nfs/dbraw/zinc/70/33/12/553703312.db2.gz JNSYLBRMPKFHDG-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904042 553703355 /nfs/dbraw/zinc/70/33/55/553703355.db2.gz XLLBTVBWQGMWMW-RPBOFIJWSA-N -1 1 517.054 6.080 50 0 KKAAMM CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc21 ZINC000096275206 553732285 /nfs/dbraw/zinc/73/22/85/553732285.db2.gz UXZAAENPLUBZNT-UHFFFAOYSA-N -1 1 501.530 6.042 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1 ZINC000097949490 553802045 /nfs/dbraw/zinc/80/20/45/553802045.db2.gz OLPYVILIJIUHLC-DEOSSOPVSA-N -1 1 543.451 6.515 50 0 KKAAMM COc1ccccc1CN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949738 553802800 /nfs/dbraw/zinc/80/28/00/553802800.db2.gz MTLSUMDZYZCPHD-QHCPKHFHSA-N -1 1 529.424 6.472 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/c3ccccc3)oc2cc1[O-] ZINC000027520853 553827037 /nfs/dbraw/zinc/82/70/37/553827037.db2.gz YAYXSWPCCDIMOC-OVXWJCGASA-N -1 1 515.078 8.938 50 0 KKAAMM Cc1sc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2cccc(C)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000097958744 553857337 /nfs/dbraw/zinc/85/73/37/553857337.db2.gz YMBGVIFFUYFLQK-YJKCNMNRSA-N -1 1 543.648 8.030 50 0 KKAAMM COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097961911 553881655 /nfs/dbraw/zinc/88/16/55/553881655.db2.gz WLEJTKZYOOAAHB-YXDQGSNCSA-N -1 1 671.354 5.400 50 0 KKAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cccc(Cl)c5)cc4)cn3)n2)c1 ZINC000032974770 553883691 /nfs/dbraw/zinc/88/36/91/553883691.db2.gz VTORPELGNUNYAW-UHFFFAOYSA-N -1 1 505.987 5.411 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(F)cc6)CCC[C@@H]5[C@@H]4c4ccc(F)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965234 553903913 /nfs/dbraw/zinc/90/39/13/553903913.db2.gz KBZNQVPRYMNITJ-SQNPOWCLSA-N -1 1 651.779 9.824 50 0 KKAAMM O=C(NCc1cccs1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000033358124 553953138 /nfs/dbraw/zinc/95/31/38/553953138.db2.gz HSBQTYHPDUKREY-CTNGQTDRSA-N -1 1 639.597 5.027 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 ZINC000097971188 553961348 /nfs/dbraw/zinc/96/13/48/553961348.db2.gz XOZIXFYDUVYLAZ-RCXXAJSPSA-N -1 1 582.125 7.578 50 0 KKAAMM CC1(C)[C@H](C(=O)[N-][C@H](Nc2cc(C(F)(F)F)ccc2Cl)C(Cl)(Cl)Cl)[C@H]1C=C(Cl)Cl ZINC000097977002 553973670 /nfs/dbraw/zinc/97/36/70/553973670.db2.gz BLUIZLPURCWKDQ-XOZVTBISSA-N -1 1 533.032 7.174 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(Br)o3)ccc2N2CCCC2)cc1 ZINC000097980132 553985574 /nfs/dbraw/zinc/98/55/74/553985574.db2.gz FJUWXIQYXFQNCK-JLHYYAGUSA-N -1 1 546.443 5.104 50 0 KKAAMM O=C1N(Cc2cccc(C(F)(F)F)c2)CCCN1c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000034737658 553998494 /nfs/dbraw/zinc/99/84/94/553998494.db2.gz RDTNSOXUIYDCJW-UHFFFAOYSA-N -1 1 507.509 5.478 50 0 KKAAMM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982892 554006233 /nfs/dbraw/zinc/00/62/33/554006233.db2.gz PFKLSBADLAVVCU-UHFFFAOYSA-N -1 1 594.473 5.986 50 0 KKAAMM O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000097983907 554012739 /nfs/dbraw/zinc/01/27/39/554012739.db2.gz SOJAJBBXHRKXOW-PAIGMYNKSA-N -1 1 541.028 5.537 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc(Br)cc3)CCC[C@@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097984427 554016849 /nfs/dbraw/zinc/01/68/49/554016849.db2.gz BQWHNOAIHYJWSK-YNXMOZLXSA-N -1 1 739.917 9.103 50 0 KKAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035886889 554088429 /nfs/dbraw/zinc/08/84/29/554088429.db2.gz WEIMUGMVTCTQRD-FTJBHMTQSA-N -1 1 508.615 5.512 50 0 KKAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035886888 554088554 /nfs/dbraw/zinc/08/85/54/554088554.db2.gz WEIMUGMVTCTQRD-CLJLJLNGSA-N -1 1 508.615 5.512 50 0 KKAAMM O=C1CS[C@H](c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)N1c1ccc(F)cc1 ZINC000035910263 554094147 /nfs/dbraw/zinc/09/41/47/554094147.db2.gz MQOSNIZBAWXITC-OAQYLSRUSA-N -1 1 507.406 5.168 50 0 KKAAMM COc1cccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000098022871 554119658 /nfs/dbraw/zinc/11/96/58/554119658.db2.gz UWBBJGBAPFUJDN-JOCHJYFZSA-N -1 1 519.442 5.037 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000098046400 554138628 /nfs/dbraw/zinc/13/86/28/554138628.db2.gz JFOFSQDNWQSTIE-OPYAIIAOSA-N -1 1 543.723 5.466 50 0 KKAAMM CN1CCN(C(=O)c2ccc(NCCc3ccc(Cl)cc3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000098049719 554168502 /nfs/dbraw/zinc/16/85/02/554168502.db2.gz GBAQYMMMTJBNKG-UHFFFAOYSA-N -1 1 581.060 5.202 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000040484967 554287168 /nfs/dbraw/zinc/28/71/68/554287168.db2.gz KCKXPHAUOKMGQA-IZZNHLLZSA-N -1 1 514.626 5.874 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000040484977 554287150 /nfs/dbraw/zinc/28/71/50/554287150.db2.gz KCKXPHAUOKMGQA-FTJBHMTQSA-N -1 1 514.626 5.874 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100426128 554387722 /nfs/dbraw/zinc/38/77/22/554387722.db2.gz UCYDEMADQPKPAG-OHWKKVTOSA-N -1 1 582.697 7.416 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100427206 554389821 /nfs/dbraw/zinc/38/98/21/554389821.db2.gz ONNWDLRHHCJWMK-JPZYQRIQSA-N -1 1 510.590 6.419 50 0 KKAAMM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1cccc(O)c1 ZINC000100547424 554414404 /nfs/dbraw/zinc/41/44/04/554414404.db2.gz RTZRBGIMGZBUQT-VSGBNLITSA-N -1 1 508.622 5.787 50 0 KKAAMM Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c2ccccc2F)cc1 ZINC000059641308 554416822 /nfs/dbraw/zinc/41/68/22/554416822.db2.gz JCHRCDQQRAKHLF-UHFFFAOYSA-N -1 1 603.697 5.922 50 0 KKAAMM COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2ccccc2)cc1 ZINC000059652587 554420188 /nfs/dbraw/zinc/42/01/88/554420188.db2.gz HEGJBAQICQSHTB-OVVQPSECSA-N -1 1 552.574 6.694 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000100617278 554432901 /nfs/dbraw/zinc/43/29/01/554432901.db2.gz KFHYDSBFNDKCLH-UHFFFAOYSA-N -1 1 577.084 7.499 50 0 KKAAMM O=C(COc1ccc(Cl)cc1Cl)[N-][C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000100724104 554456335 /nfs/dbraw/zinc/45/63/35/554456335.db2.gz BFTLHXFQRXLAPQ-HNNXBMFYSA-N -1 1 544.999 6.969 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5cc(OC)cc(OC)c5)no4)c(C)c3c2)cc1 ZINC000064775172 554515478 /nfs/dbraw/zinc/51/54/78/554515478.db2.gz BQFARQHZDPENSE-UHFFFAOYSA-N -1 1 521.551 5.285 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101160434 554659587 /nfs/dbraw/zinc/65/95/87/554659587.db2.gz ZHNFUFCFIZKELK-FCEKVYKBSA-N -1 1 500.595 5.488 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101171152 554661751 /nfs/dbraw/zinc/66/17/51/554661751.db2.gz KXJMVBKSEQZRNO-FCEKVYKBSA-N -1 1 500.595 5.624 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101252402 554694244 /nfs/dbraw/zinc/69/42/44/554694244.db2.gz PFQZZQCRQNQZAQ-NLDZOOGBSA-N -1 1 514.622 5.932 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289723 554707124 /nfs/dbraw/zinc/70/71/24/554707124.db2.gz YPOSZTJSFKBACK-JWQCQUIFSA-N -1 1 567.042 5.674 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289767 554707191 /nfs/dbraw/zinc/70/71/91/554707191.db2.gz PRYQXODTZYFFOR-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1OC ZINC000101289549 554707239 /nfs/dbraw/zinc/70/72/39/554707239.db2.gz FIQXLMRBKZELMK-OZXSUGGESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000101289873 554707370 /nfs/dbraw/zinc/70/73/70/554707370.db2.gz NCAFUCPLMYBKIO-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101289901 554707441 /nfs/dbraw/zinc/70/74/41/554707441.db2.gz IMDRRPBWIPIFPL-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101289896 554707527 /nfs/dbraw/zinc/70/75/27/554707527.db2.gz IMDRRPBWIPIFPL-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101290183 554707703 /nfs/dbraw/zinc/70/77/03/554707703.db2.gz HEPKBOKQFUFVDX-LOSJGSFVSA-N -1 1 533.053 5.917 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290366 554707713 /nfs/dbraw/zinc/70/77/13/554707713.db2.gz VPYJETUFFLWKMW-UIOOFZCWSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101290748 554707988 /nfs/dbraw/zinc/70/79/88/554707988.db2.gz LOOSGHXXNYMLLR-IZZNHLLZSA-N -1 1 530.625 5.711 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c(C)c1 ZINC000101291650 554708579 /nfs/dbraw/zinc/70/85/79/554708579.db2.gz UGIDRQUESZCQGS-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(C)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101292917 554709575 /nfs/dbraw/zinc/70/95/75/554709575.db2.gz KCQBCZGLFKXDPE-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293371 554709846 /nfs/dbraw/zinc/70/98/46/554709846.db2.gz ZQNKCGCKJSIUQJ-JYFHCDHNSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1OC ZINC000101293137 554709897 /nfs/dbraw/zinc/70/98/97/554709897.db2.gz IPXIODQXOAPILR-ZEQKJWHPSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(OC)cc(OC)c3)s2)cc1 ZINC000101294244 554710954 /nfs/dbraw/zinc/71/09/54/554710954.db2.gz RUFIAPQFHROTRI-IZZNHLLZSA-N -1 1 579.078 5.544 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101295347 554712085 /nfs/dbraw/zinc/71/20/85/554712085.db2.gz HALYCKBYTJHWQT-IGKIAQTJSA-N -1 1 542.661 5.444 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101397523 554758658 /nfs/dbraw/zinc/75/86/58/554758658.db2.gz KDPSBXQDVQVWFS-JPZYQRIQSA-N -1 1 554.599 5.897 50 0 KKAAMM COc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000101424480 554768060 /nfs/dbraw/zinc/76/80/60/554768060.db2.gz SVYSWMFJFFEQIO-CQGGRAHPSA-N -1 1 546.576 5.720 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101427236 554768891 /nfs/dbraw/zinc/76/88/91/554768891.db2.gz BKMCWUOLOMYKAQ-URAOTHONSA-N -1 1 542.563 6.027 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101427233 554768954 /nfs/dbraw/zinc/76/89/54/554768954.db2.gz BKMCWUOLOMYKAQ-IIMAJNMQSA-N -1 1 542.563 6.027 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101429041 554769612 /nfs/dbraw/zinc/76/96/12/554769612.db2.gz GVJOJFVBRJNPHD-GJBXTBEHSA-N -1 1 580.681 7.186 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000101510545 554792313 /nfs/dbraw/zinc/79/23/13/554792313.db2.gz UQGWCWIAHCNDSC-DEOSSOPVSA-N -1 1 617.651 6.521 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000101510545 554792315 /nfs/dbraw/zinc/79/23/15/554792315.db2.gz UQGWCWIAHCNDSC-DEOSSOPVSA-N -1 1 617.651 6.521 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969239 554854597 /nfs/dbraw/zinc/85/45/97/554854597.db2.gz XLGYOYIMKQPLNJ-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101969209 554854617 /nfs/dbraw/zinc/85/46/17/554854617.db2.gz UAIWNNGNGKIUEH-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969327 554854698 /nfs/dbraw/zinc/85/46/98/554854698.db2.gz JBEUIJZXIBZWPM-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969336 554854891 /nfs/dbraw/zinc/85/48/91/554854891.db2.gz BFSGBVDMLFPSNZ-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969450 554855005 /nfs/dbraw/zinc/85/50/05/554855005.db2.gz IMMPRSQPOFUWDA-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969489 554855052 /nfs/dbraw/zinc/85/50/52/554855052.db2.gz MCCMHWJIUNUHHY-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101969647 554855307 /nfs/dbraw/zinc/85/53/07/554855307.db2.gz KQVXJPIFWLDAKN-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969630 554855355 /nfs/dbraw/zinc/85/53/55/554855355.db2.gz DYZFYUWULPZQHX-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969718 554855617 /nfs/dbraw/zinc/85/56/17/554855617.db2.gz UREJJXNRGWLPDH-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969676 554855679 /nfs/dbraw/zinc/85/56/79/554855679.db2.gz LRHVMSMWDIBOJA-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969723 554855685 /nfs/dbraw/zinc/85/56/85/554855685.db2.gz QIPYTPWFLKIGJO-ZCYQVOJMSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969813 554855820 /nfs/dbraw/zinc/85/58/20/554855820.db2.gz GPQQKHLBLRXODM-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969817 554855944 /nfs/dbraw/zinc/85/59/44/554855944.db2.gz GPQQKHLBLRXODM-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969809 554855980 /nfs/dbraw/zinc/85/59/80/554855980.db2.gz GPQQKHLBLRXODM-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969997 554856125 /nfs/dbraw/zinc/85/61/25/554856125.db2.gz YRFHBVJHWHRHLB-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101970004 554856201 /nfs/dbraw/zinc/85/62/01/554856201.db2.gz YRFHBVJHWHRHLB-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101970001 554856294 /nfs/dbraw/zinc/85/62/94/554856294.db2.gz YRFHBVJHWHRHLB-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969946 554856313 /nfs/dbraw/zinc/85/63/13/554856313.db2.gz FEFXKZVJFBJRDL-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000101970159 554856590 /nfs/dbraw/zinc/85/65/90/554856590.db2.gz GQGMJNONMWRHDS-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101970394 554856855 /nfs/dbraw/zinc/85/68/55/554856855.db2.gz SBYVOZUQPMQWGV-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000101970358 554856923 /nfs/dbraw/zinc/85/69/23/554856923.db2.gz REYGPDAXXHNKNK-ZEQRLZLVSA-N -1 1 539.007 6.105 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1F ZINC000101970251 554857023 /nfs/dbraw/zinc/85/70/23/554857023.db2.gz FYKNQZIKFAMLOG-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101970451 554857212 /nfs/dbraw/zinc/85/72/12/554857212.db2.gz WNZUHSUPILMKCA-UPVQGACJSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970561 554857538 /nfs/dbraw/zinc/85/75/38/554857538.db2.gz HTGBTXCGPOYUGU-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000101970757 554857852 /nfs/dbraw/zinc/85/78/52/554857852.db2.gz HMLHMQVCMHXYKQ-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101970824 554857882 /nfs/dbraw/zinc/85/78/82/554857882.db2.gz YGXHXMDXLNXAFO-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970923 554858191 /nfs/dbraw/zinc/85/81/91/554858191.db2.gz JIGNNDKZQCLNME-AZGAKELHSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000101970845 554858209 /nfs/dbraw/zinc/85/82/09/554858209.db2.gz PYDRHTYKOOMQJW-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101971114 554858484 /nfs/dbraw/zinc/85/84/84/554858484.db2.gz ZISBBZZCOXOFLP-XNMGPUDCSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101971242 554858969 /nfs/dbraw/zinc/85/89/69/554858969.db2.gz GCVJHGHIPVSJPA-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101971240 554858976 /nfs/dbraw/zinc/85/89/76/554858976.db2.gz GCVJHGHIPVSJPA-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101971204 554858982 /nfs/dbraw/zinc/85/89/82/554858982.db2.gz ZDBUKUZWTGWBBW-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971724 554859824 /nfs/dbraw/zinc/85/98/24/554859824.db2.gz QDXMUTAPWUSBME-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972312 554860119 /nfs/dbraw/zinc/86/01/19/554860119.db2.gz XDPSRVAQCZFMPU-FTJBHMTQSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972438 554860277 /nfs/dbraw/zinc/86/02/77/554860277.db2.gz CNCLWJWPIKNDLC-DNQXCXABSA-N -1 1 538.551 5.290 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101972374 554860383 /nfs/dbraw/zinc/86/03/83/554860383.db2.gz SDWDXGUDNWHUPA-RPBOFIJWSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972443 554860620 /nfs/dbraw/zinc/86/06/20/554860620.db2.gz UFWDDRBVNKJMGK-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972801 554861211 /nfs/dbraw/zinc/86/12/11/554861211.db2.gz ZVXCKPAFIDYZPR-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972782 554861263 /nfs/dbraw/zinc/86/12/63/554861263.db2.gz CBZNJFSLALCPLU-RPWUZVMVSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972897 554861282 /nfs/dbraw/zinc/86/12/82/554861282.db2.gz IPVZHIXAACNXML-ZEQRLZLVSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972906 554861291 /nfs/dbraw/zinc/86/12/91/554861291.db2.gz IPVZHIXAACNXML-BJKOFHAPSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1F ZINC000101972968 554861602 /nfs/dbraw/zinc/86/16/02/554861602.db2.gz ROTJNFVJCYNRCG-ZEQRLZLVSA-N -1 1 539.007 6.105 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101972995 554861720 /nfs/dbraw/zinc/86/17/20/554861720.db2.gz DXUOVWNBCLQVNN-DHIUTWEWSA-N -1 1 542.970 5.935 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)c1 ZINC000101973201 554861956 /nfs/dbraw/zinc/86/19/56/554861956.db2.gz BQVAQLXYBQXKFE-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2c(Br)cc(Br)c([O-])c2Br)N3)C1 ZINC000102095770 554879210 /nfs/dbraw/zinc/87/92/10/554879210.db2.gz SASUUZDMJOKUPT-MRXNPFEDSA-N -1 1 580.140 5.937 50 0 KKAAMM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)cc12 ZINC000102252907 554903965 /nfs/dbraw/zinc/90/39/65/554903965.db2.gz JUGVWYSWHILXED-UHFFFAOYSA-N -1 1 556.591 6.467 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)N(c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000102413945 554924423 /nfs/dbraw/zinc/92/44/23/554924423.db2.gz JSJWKXGETMLMLV-QHCPKHFHSA-N -1 1 610.511 6.923 50 0 KKAAMM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c(Br)c(Br)c1[O-] ZINC000102594967 554975918 /nfs/dbraw/zinc/97/59/18/554975918.db2.gz QZZFVYZGISEXOH-DGIBIBHMSA-N -1 1 558.336 6.383 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102757705 555050255 /nfs/dbraw/zinc/05/02/55/555050255.db2.gz KXJMVBKSEQZRNO-JCYYIGJDSA-N -1 1 500.595 5.624 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@@H](C)O3)cc1F ZINC000102774592 555062371 /nfs/dbraw/zinc/06/23/71/555062371.db2.gz AXZDKLZRKLPWFH-MRXNPFEDSA-N -1 1 522.520 5.263 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810749 555074753 /nfs/dbraw/zinc/07/47/53/555074753.db2.gz LFVFZLGGRORNQB-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810653 555074812 /nfs/dbraw/zinc/07/48/12/555074812.db2.gz LVZRSAVRIUJDJA-RPBOFIJWSA-N -1 1 551.043 5.974 50 0 KKAAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccncc2)cc1 ZINC000102882328 555110688 /nfs/dbraw/zinc/11/06/88/555110688.db2.gz NPJQNJOFBIHDAY-WKRVVKTRSA-N -1 1 523.633 6.794 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1OC ZINC000102885625 555115697 /nfs/dbraw/zinc/11/56/97/555115697.db2.gz NUBNIRPXKPYLDA-VWLOTQADSA-N -1 1 589.476 6.489 50 0 KKAAMM O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-] ZINC000102938223 555166463 /nfs/dbraw/zinc/16/64/63/555166463.db2.gz QAANUCIXUPUXHS-UHFFFAOYSA-N -1 1 569.930 5.867 50 0 KKAAMM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Cl)c1=O)c1ccc(-c2ccccc2)cc1 ZINC000102948758 555172202 /nfs/dbraw/zinc/17/22/02/555172202.db2.gz TYAKEQNLWYJFGW-UHFFFAOYSA-N -1 1 581.503 8.240 50 0 KKAAMM COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3C)c3ccccc3n2)cc1 ZINC000102955824 555173662 /nfs/dbraw/zinc/17/36/62/555173662.db2.gz VDZFQMPWEPWYPI-UHFFFAOYSA-N -1 1 558.059 6.925 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 ZINC000102955561 555173696 /nfs/dbraw/zinc/17/36/96/555173696.db2.gz AVXKEJIBJAMXJL-UHFFFAOYSA-N -1 1 558.409 5.775 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2N2CCOCC2)cc1 ZINC000102965990 555180252 /nfs/dbraw/zinc/18/02/52/555180252.db2.gz OKDXCYYWPFLQOQ-UHFFFAOYSA-N -1 1 571.699 5.493 50 0 KKAAMM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000102975612 555186025 /nfs/dbraw/zinc/18/60/25/555186025.db2.gz PJQWDQWOMRBEJV-KRWDZBQOSA-N -1 1 614.648 5.855 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000102976400 555186306 /nfs/dbraw/zinc/18/63/06/555186306.db2.gz HKIVOGXYUNBNJW-UHFFFAOYSA-N -1 1 608.720 6.109 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)COc1ccc(Cl)cc1C ZINC000102994388 555194506 /nfs/dbraw/zinc/19/45/06/555194506.db2.gz LQPOWTZWKVXSEH-UHFFFAOYSA-N -1 1 539.835 5.238 50 0 KKAAMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]c1nc2ccccc2nc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102994946 555195014 /nfs/dbraw/zinc/19/50/14/555195014.db2.gz CZPJIEAASOEVSO-UHFFFAOYSA-N -1 1 583.636 6.468 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc(Br)ccc1Cl ZINC000103000518 555200245 /nfs/dbraw/zinc/20/02/45/555200245.db2.gz WDYYVQLPVQSUAA-UHFFFAOYSA-N -1 1 533.753 6.174 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OCc3ccc(F)cc3)ccc2N2CCOCC2)cc1 ZINC000103011916 555206767 /nfs/dbraw/zinc/20/67/67/555206767.db2.gz FMRNRXJZIHCFMX-UHFFFAOYSA-N -1 1 591.661 5.303 50 0 KKAAMM COc1ccc(OC)c2c1[C@H]1CCCC[C@H]1O[C@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000103032367 555219911 /nfs/dbraw/zinc/21/99/11/555219911.db2.gz JVQKSUQLLRSLAI-KERYWQKISA-N -1 1 537.634 5.422 50 0 KKAAMM COc1ccc(-c2csc(NC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1 ZINC000103033913 555221683 /nfs/dbraw/zinc/22/16/83/555221683.db2.gz YVETWUPMTLKISO-GOSISDBHSA-N -1 1 528.483 5.457 50 0 KKAAMM CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc2Cl)c1C ZINC000103085542 555264262 /nfs/dbraw/zinc/26/42/62/555264262.db2.gz FMPWPBHJALSZRF-HNNXBMFYSA-N -1 1 611.898 5.453 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(I)cc3)c2)cc1 ZINC000103092369 555271403 /nfs/dbraw/zinc/27/14/03/555271403.db2.gz GJMYTEKOBDVICG-UHFFFAOYSA-N -1 1 592.455 5.230 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c1)C[C@@H](C)CC2 ZINC000103114607 555287337 /nfs/dbraw/zinc/28/73/37/555287337.db2.gz YEOJXQJKCRLAOR-ROUUACIJSA-N -1 1 600.715 5.043 50 0 KKAAMM COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(Br)c(Br)c1[O-] ZINC000103128033 555295968 /nfs/dbraw/zinc/29/59/68/555295968.db2.gz DXQHPQPGWPRJEE-SPLOXXLWSA-N -1 1 536.245 6.230 50 0 KKAAMM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)/C(=C\c2ccccc2)C1 ZINC000103135579 555305242 /nfs/dbraw/zinc/30/52/42/555305242.db2.gz FZGNSUXAMWYJNF-WDUNQMNWSA-N -1 1 556.565 6.073 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103163241 555321921 /nfs/dbraw/zinc/32/19/21/555321921.db2.gz JFOFSQDNWQSTIE-WAOWUJCRSA-N -1 1 543.723 5.466 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(=O)N1c1ccccc1 ZINC000103410212 555396374 /nfs/dbraw/zinc/39/63/74/555396374.db2.gz CLKXCPLBBRGJHB-UHFFFAOYSA-N -1 1 545.617 5.616 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103426049 555407055 /nfs/dbraw/zinc/40/70/55/555407055.db2.gz BNAJUDBHAXKHKL-UHFFFAOYSA-N -1 1 557.653 5.485 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C(=O)N1c1ccc(F)cc1 ZINC000103439418 555419436 /nfs/dbraw/zinc/41/94/36/555419436.db2.gz XFVSPSJXLFXXOX-UHFFFAOYSA-N -1 1 581.597 5.894 50 0 KKAAMM COc1ccc(C2=C([O-])C(=O)N(c3nc4ccc(Br)cc4s3)C2=C(O)c2ccccc2)cc1 ZINC000108800803 571426617 /nfs/dbraw/zinc/42/66/17/571426617.db2.gz FLIWBLNZYJLMOU-OAQYLSRUSA-N -1 1 521.392 5.635 50 0 KKAAMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000150380228 571466757 /nfs/dbraw/zinc/46/67/57/571466757.db2.gz MMKVYSBEDUGTPI-UHFFFAOYSA-N -1 1 648.590 6.254 50 0 KKAAMM CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(Nc2[n-]n(-c3ccccc3)c(=O)c2Sc2ccccc2)c1 ZINC000150392580 571474555 /nfs/dbraw/zinc/47/45/55/571474555.db2.gz GKMKRMLAUVZORF-PUDHBBIYSA-N -1 1 676.927 9.791 50 0 KKAAMM CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000150401112 571478132 /nfs/dbraw/zinc/47/81/32/571478132.db2.gz SHPIGDPVWONVNK-DJRZPZLQSA-N -1 1 665.186 9.041 50 0 KKAAMM COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150404863 571479091 /nfs/dbraw/zinc/47/90/91/571479091.db2.gz NIYVXCCQJANJJW-ASPBEGMCSA-N -1 1 646.693 6.153 50 0 KKAAMM COc1c(Br)cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c([O-])c1Br ZINC000150404474 571479139 /nfs/dbraw/zinc/47/91/39/571479139.db2.gz JHQMXJJDDOVTQM-UHFFFAOYSA-N -1 1 668.386 5.702 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000150407631 571480301 /nfs/dbraw/zinc/48/03/01/571480301.db2.gz ZRALQXNONDIQTM-UHFFFAOYSA-N -1 1 673.135 5.033 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000150407856 571480426 /nfs/dbraw/zinc/48/04/26/571480426.db2.gz SWGAVOHNZSTCGH-UHFFFAOYSA-N -1 1 648.757 5.269 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OC(=O)c1ccc(Br)cc1 ZINC000150409145 571481344 /nfs/dbraw/zinc/48/13/44/571481344.db2.gz XVMGHSKLQSAGLO-UHFFFAOYSA-N -1 1 635.518 7.248 50 0 KKAAMM Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c2ccccc2)cc1 ZINC000150409431 571481678 /nfs/dbraw/zinc/48/16/78/571481678.db2.gz ATKJVEMEUDDKEV-UHFFFAOYSA-N -1 1 667.253 6.664 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000150409444 571481774 /nfs/dbraw/zinc/48/17/74/571481774.db2.gz GSYRQIKZOZXEJS-UHFFFAOYSA-N -1 1 688.316 6.404 50 0 KKAAMM O=C1C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C(=O)N1Cc1ccco1 ZINC000150412622 571484352 /nfs/dbraw/zinc/48/43/52/571484352.db2.gz GHIUSXZXWHUYPC-UHFFFAOYSA-N -1 1 628.501 5.967 50 0 KKAAMM Cc1c(NC(=O)c2cccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000150423863 571488840 /nfs/dbraw/zinc/48/88/40/571488840.db2.gz UDMZSIKEAKUYPW-UHFFFAOYSA-N -1 1 634.089 5.582 50 0 KKAAMM O=C(NCCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000150448340 571501575 /nfs/dbraw/zinc/50/15/75/571501575.db2.gz RGUDTPPJUSZSDA-VWNXMTODSA-N -1 1 637.589 5.552 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)ccc1N1CCOCC1 ZINC000150449540 571501972 /nfs/dbraw/zinc/50/19/72/571501972.db2.gz NRSDHICUWYIPEK-UHFFFAOYSA-N -1 1 691.615 5.693 50 0 KKAAMM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1Cl ZINC000150472170 571509860 /nfs/dbraw/zinc/50/98/60/571509860.db2.gz SLFFLEMUJQSZQG-NDEPHWFRSA-N -1 1 641.071 6.621 50 0 KKAAMM COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)cc1 ZINC000263585944 572121111 /nfs/dbraw/zinc/12/11/11/572121111.db2.gz OBWJXZXWGFDGIU-IBGZPJMESA-N -1 1 568.534 5.670 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cccc(OC)c2OCCc2ccccc2)cc1OC ZINC000263586160 572122193 /nfs/dbraw/zinc/12/21/93/572122193.db2.gz QTGDWWJFEXBDQH-QHCPKHFHSA-N -1 1 594.616 6.254 50 0 KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(OC)c(OC)c6)coc5c43)cc2)cc1 ZINC000263586353 572122899 /nfs/dbraw/zinc/12/28/99/572122899.db2.gz SWUCJQLVWJVAAZ-RUZDIDTESA-N -1 1 594.616 6.254 50 0 KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2)cc1 ZINC000263586353 572122904 /nfs/dbraw/zinc/12/29/04/572122904.db2.gz SWUCJQLVWJVAAZ-RUZDIDTESA-N -1 1 594.616 6.254 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226828343 572142558 /nfs/dbraw/zinc/14/25/58/572142558.db2.gz KXJMVBKSEQZRNO-UPRLRBBYSA-N -1 1 500.595 5.624 50 0 KKAAMM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311335 572229463 /nfs/dbraw/zinc/22/94/63/572229463.db2.gz NSEJNWAPSCOJBY-WPQKMFINSA-N -1 1 534.999 6.098 50 0 KKAAMM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312096 572229885 /nfs/dbraw/zinc/22/98/85/572229885.db2.gz SGSXNADEYJDAMK-NBJHOTSESA-N -1 1 530.580 5.534 50 0 KKAAMM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)o2)cc1 ZINC000253411950 572287683 /nfs/dbraw/zinc/28/76/83/572287683.db2.gz PKJIZGIWADNKBC-GOSISDBHSA-N -1 1 528.900 6.218 50 0 KKAAMM COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000253412231 572287916 /nfs/dbraw/zinc/28/79/16/572287916.db2.gz QHGWHGIVPAPRJT-DEOSSOPVSA-N -1 1 611.046 6.825 50 0 KKAAMM COc1ccc2cc3c(nc2c1)Oc1cc(=O)c2c([O-])cc(-c4ccccc4)oc-2c1[C@H]3CC(=O)N1CCCCC1 ZINC000253412891 572288271 /nfs/dbraw/zinc/28/82/71/572288271.db2.gz SJWNYAFXXWPCDV-QFIPXVFZSA-N -1 1 548.595 6.363 50 0 KKAAMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253497355 572291985 /nfs/dbraw/zinc/29/19/85/572291985.db2.gz WXIZXILJEQMMHV-LYSFYLNXSA-N -1 1 680.926 10.498 50 0 KKAAMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253497355 572291988 /nfs/dbraw/zinc/29/19/88/572291988.db2.gz WXIZXILJEQMMHV-LYSFYLNXSA-N -1 1 680.926 10.498 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3ccccc3OC)ccc2N2CCCCC2)cc1 ZINC000033626630 1071200732 /nfs/dbraw/zinc/20/07/32/1071200732.db2.gz LPANNNJOSORAJU-YVLHZVERSA-N -1 1 521.639 5.147 50 0 KKAAMM COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(-c3cccc(C(=O)[O-])c3)o2)CC(=O)O4)cc1O ZINC000217792112 1071292901 /nfs/dbraw/zinc/29/29/01/1071292901.db2.gz CFZZBVACXHHQSM-QGZVFWFLSA-N -1 1 540.480 5.279 50 0 biogenic KKAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(OCCc3ccc5c(c3)CCO5)c2)CC(=O)O4)cc1O ZINC000217851617 1071293027 /nfs/dbraw/zinc/29/30/27/1071293027.db2.gz YKOOFYDNPNITPB-XMMPIXPASA-N -1 1 592.600 5.877 50 0 biogenic KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)ccc2N2CCCCC2)cc1 ZINC000158406726 1072828950 /nfs/dbraw/zinc/82/89/50/1072828950.db2.gz DEGOBDMAWSXNPR-ZDLGFXPLSA-N -1 1 668.838 5.321 50 0 KKAAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N=NCc1ccccc1Br ZINC000254381785 1072850409 /nfs/dbraw/zinc/85/04/09/1072850409.db2.gz NMNLDQHRSRRMHE-UHFFFAOYSA-N -1 1 509.769 5.258 50 0 KKAAMM O=[N+]([O-])c1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])ccc1Cl ZINC000254441515 1072855853 /nfs/dbraw/zinc/85/58/53/1072855853.db2.gz UFBAUGYDCHRIFF-UHFFFAOYSA-N -1 1 510.315 5.057 50 0 KKAAMM N=C1N=C(c2ccc(Cl)cc2)C(=NNc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)S1 ZINC000254491149 1072858221 /nfs/dbraw/zinc/85/82/21/1072858221.db2.gz MCOPXCSGIVJKPB-UHFFFAOYSA-N -1 1 537.976 6.056 50 0 KKAAMM CCCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c(OCCC)c1 ZINC000254840717 1072883690 /nfs/dbraw/zinc/88/36/90/1072883690.db2.gz MZRLPLRQKHVTGB-UHFFFAOYSA-N -1 1 547.033 6.073 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C\c1ccco1 ZINC000150500000 1072905673 /nfs/dbraw/zinc/90/56/73/1072905673.db2.gz FFZAFMKZMMHENM-WTFLMWPGSA-N -1 1 628.300 6.314 50 0 KKAAMM O=C1c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc21 ZINC000000637637 551506340 /nfs/dbraw/zinc/50/63/40/551506340.db2.gz JOKVGBKWEMSCMP-UHFFFAOYSA-N -1 1 559.452 5.806 50 0 KKAAMM CC(=O)c1c(C)n(S(=O)(=O)c2ccc3ccccc3c2)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc21 ZINC000000822120 551544132 /nfs/dbraw/zinc/54/41/32/551544132.db2.gz QKDNKKJEXJWGJX-UHFFFAOYSA-N -1 1 568.676 6.497 50 0 biogenic KKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(CC)cc3)CC(C)(C)CC2=O)cc1 ZINC000000834388 551546572 /nfs/dbraw/zinc/54/65/72/551546572.db2.gz MQDGRTQOBPHANH-UHFFFAOYSA-N -1 1 564.729 5.959 50 0 KKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2C)c1 ZINC000001064791 551601559 /nfs/dbraw/zinc/60/15/59/551601559.db2.gz VHZLHMNAQFLDJL-UHFFFAOYSA-N -1 1 517.607 5.188 50 0 KKAAMM COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001322470 551641969 /nfs/dbraw/zinc/64/19/69/551641969.db2.gz XNFZURLQAHSJKJ-PKHCJMHPSA-N -1 1 556.615 6.127 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322682 551642004 /nfs/dbraw/zinc/64/20/04/551642004.db2.gz MTMQDVRIZDKYER-APYJYERMSA-N -1 1 584.625 5.905 50 0 biogenic KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322685 551642128 /nfs/dbraw/zinc/64/21/28/551642128.db2.gz MTMQDVRIZDKYER-ICACTRECSA-N -1 1 584.625 5.905 50 0 biogenic KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccnc2)cc1 ZINC000001408919 551663692 /nfs/dbraw/zinc/66/36/92/551663692.db2.gz NSBOXQMCRJMXMZ-JPZYQRIQSA-N -1 1 523.633 6.794 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4ccccc4[C@](C)(c4ccccc4)CC3(C)C)n2)cc1 ZINC000001875008 551721579 /nfs/dbraw/zinc/72/15/79/551721579.db2.gz FMLVTWXWTNPIEZ-YTTGMZPUSA-N -1 1 555.769 6.984 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4Cl)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000002328428 552095669 /nfs/dbraw/zinc/09/56/69/552095669.db2.gz GRIJPIMQJQIUIL-UHFFFAOYSA-N -1 1 501.892 6.358 50 0 KKAAMM COC(=O)[C@@]([N-]c1nc2c(ccc(Cl)c2C)s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002348791 552099406 /nfs/dbraw/zinc/09/94/06/552099406.db2.gz PPWIGKGDDWSYKO-SFHVURJKSA-N -1 1 526.751 5.838 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1cccc(Cl)c1Cl ZINC000002747829 552174902 /nfs/dbraw/zinc/17/49/02/552174902.db2.gz NRAWYYSLDZUGSR-UHFFFAOYSA-N -1 1 571.482 6.943 50 0 KKAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1OC ZINC000002857791 552202724 /nfs/dbraw/zinc/20/27/24/552202724.db2.gz INZUZDZXUVTYHD-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM COc1ccc(-c2c3c(N)c(C(=O)[N-]c4nsc(-c5ccccc5)n4)sc3nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000002890636 552211171 /nfs/dbraw/zinc/21/11/71/552211171.db2.gz NNSCHIDEGFXSEO-UHFFFAOYSA-N -1 1 555.685 6.480 50 0 KKAAMM COc1ccc(Oc2c(C)oc3cc(OC(=O)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cc([O-])c3c2=O)cc1 ZINC000003193259 552302657 /nfs/dbraw/zinc/30/26/57/552302657.db2.gz PVKNODMUWFWAPH-QHCPKHFHSA-N -1 1 561.587 5.649 50 0 biogenic KKAAMM CCn1c2ccccc2c2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)ccc3Cl)ccc21 ZINC000003216501 552307787 /nfs/dbraw/zinc/30/77/87/552307787.db2.gz GUSWAAUFOCZBOY-UHFFFAOYSA-N -1 1 572.008 7.540 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000003217871 552308410 /nfs/dbraw/zinc/30/84/10/552308410.db2.gz WQYDBKQIZIBRER-UHFFFAOYSA-N -1 1 591.961 6.141 50 0 KKAAMM O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003226639 552313092 /nfs/dbraw/zinc/31/30/92/552313092.db2.gz RGTOTHGEDPSZAE-UHFFFAOYSA-N -1 1 503.527 5.882 50 0 KKAAMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000003236314 552317100 /nfs/dbraw/zinc/31/71/00/552317100.db2.gz BSIFYMOYUIJWKX-UHFFFAOYSA-N -1 1 512.937 5.956 50 0 KKAAMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 ZINC000003245058 552320170 /nfs/dbraw/zinc/32/01/70/552320170.db2.gz YQDYSROOSXTALV-UHFFFAOYSA-N -1 1 525.026 7.031 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccc(Br)c(C)c3)c2)cc1 ZINC000003287725 552338455 /nfs/dbraw/zinc/33/84/55/552338455.db2.gz OIMOJXJMFJFJBN-UHFFFAOYSA-N -1 1 559.482 5.696 50 0 KKAAMM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC000003321977 552355804 /nfs/dbraw/zinc/35/58/04/552355804.db2.gz LAWHHNFTWBIILF-UHFFFAOYSA-N -1 1 571.902 6.011 50 0 KKAAMM Cn1c2ccccc2c(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1-c1ccccc1 ZINC000003340154 552362717 /nfs/dbraw/zinc/36/27/17/552362717.db2.gz BSYAUDDULXTBJJ-UHFFFAOYSA-N -1 1 524.598 5.686 50 0 KKAAMM O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003353435 552367890 /nfs/dbraw/zinc/36/78/90/552367890.db2.gz BHCAPEMJGKGQIL-UHFFFAOYSA-N -1 1 550.583 5.151 50 0 KKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2c1C(=O)OCc1ccccc1 ZINC000003368376 552374263 /nfs/dbraw/zinc/37/42/63/552374263.db2.gz BPNCZZBFXRDKRV-UHFFFAOYSA-N -1 1 500.370 5.662 50 0 KKAAMM Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000003372719 552375576 /nfs/dbraw/zinc/37/55/76/552375576.db2.gz JWGWHUCLEYAFQU-UHFFFAOYSA-N -1 1 561.365 5.917 50 0 KKAAMM Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)O[C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000003380233 552377871 /nfs/dbraw/zinc/37/78/71/552377871.db2.gz LDYQZBPUZIUJLG-QGZVFWFLSA-N -1 1 563.632 5.818 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C(C)(C)C)cc3)CCCC2=O)cc1 ZINC000006075463 552527474 /nfs/dbraw/zinc/52/74/74/552527474.db2.gz YZPXENRWZCNUJF-UHFFFAOYSA-N -1 1 592.783 6.793 50 0 KKAAMM CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1C ZINC000006154241 552552161 /nfs/dbraw/zinc/55/21/61/552552161.db2.gz YVYVYZLKRFREBX-HXUWFJFHSA-N -1 1 568.692 5.643 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2)cc1C ZINC000006181561 552562629 /nfs/dbraw/zinc/56/26/29/552562629.db2.gz RDOBUPTXAWNWLU-UHFFFAOYSA-N -1 1 531.037 6.553 50 0 aggregator KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(C2N=NC(=S)N2c2cccc(C(F)(F)F)c2)c1 ZINC000006189225 552562972 /nfs/dbraw/zinc/56/29/72/552562972.db2.gz IRJIYSRMINUYPZ-UHFFFAOYSA-N -1 1 510.950 5.696 50 0 KKAAMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)cc2)S(C)(=O)=O)cc1C ZINC000008384689 552989781 /nfs/dbraw/zinc/98/97/81/552989781.db2.gz LVMONQBCWKREOL-UHFFFAOYSA-N -1 1 612.173 6.285 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008385581 552991137 /nfs/dbraw/zinc/99/11/37/552991137.db2.gz PUOQIGNMAKRKRV-UHFFFAOYSA-N -1 1 606.704 6.342 50 0 KKAAMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000008395848 552993988 /nfs/dbraw/zinc/99/39/88/552993988.db2.gz MOFVBJGOSGPUQY-UHFFFAOYSA-N -1 1 660.239 6.404 50 0 KKAAMM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[n-]c(N4CCCCC4)c(-c4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000008442434 553043639 /nfs/dbraw/zinc/04/36/39/553043639.db2.gz SMUSPZCDKONHRC-PSXMRANNSA-N -1 1 704.920 7.765 50 0 KKAAMM O=C(Nc1ccc(-c2nc3ccccc3o2)c([O-])c1)c1cc(I)ccc1I ZINC000008448820 553056530 /nfs/dbraw/zinc/05/65/30/553056530.db2.gz XLVNNCVVXHXRHA-UHFFFAOYSA-N -1 1 582.135 5.662 50 0 KKAAMM O=C(Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1cc(I)ccc1I ZINC000008448821 553056547 /nfs/dbraw/zinc/05/65/47/553056547.db2.gz RPMUSBAZCDSONH-UHFFFAOYSA-N -1 1 582.135 5.662 50 0 KKAAMM O=C(/C=C/c1ccc(Br)o1)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000008693915 553118778 /nfs/dbraw/zinc/11/87/78/553118778.db2.gz QEFUHWGZELGJMJ-UXBLZVDNSA-N -1 1 516.200 5.802 50 0 KKAAMM CCN(CC)c1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000008837872 553164426 /nfs/dbraw/zinc/16/44/26/553164426.db2.gz ZYECAJKQZMZMFY-UHFFFAOYSA-N -1 1 507.638 6.112 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000008951482 553193785 /nfs/dbraw/zinc/19/37/85/553193785.db2.gz KYKPYMZDXHYRSH-QHCPKHFHSA-N -1 1 513.425 6.506 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(Br)c1 ZINC000008989916 553196860 /nfs/dbraw/zinc/19/68/60/553196860.db2.gz NKLAEJZULWOZKF-UHFFFAOYSA-N -1 1 515.411 6.029 50 0 KKAAMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1)c1cc(-c2cccs2)on1 ZINC000009251203 553227641 /nfs/dbraw/zinc/22/76/41/553227641.db2.gz NTJJSZFEQCVAHD-UHFFFAOYSA-N -1 1 516.554 5.503 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 ZINC000009272469 553231791 /nfs/dbraw/zinc/23/17/91/553231791.db2.gz KAKSWWGCWNWGCG-UHFFFAOYSA-N -1 1 503.674 6.705 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)N2CCc3ccccc32)s1 ZINC000009369171 553250132 /nfs/dbraw/zinc/25/01/32/553250132.db2.gz DXCZUHORNARPKI-UHFFFAOYSA-N -1 1 512.016 5.089 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000009432159 553261284 /nfs/dbraw/zinc/26/12/84/553261284.db2.gz TURBAZZNERXBTP-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000009432174 553261309 /nfs/dbraw/zinc/26/13/09/553261309.db2.gz BSSDRFNMFZSUTC-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000009432158 553261330 /nfs/dbraw/zinc/26/13/30/553261330.db2.gz TURBAZZNERXBTP-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000009432152 553261384 /nfs/dbraw/zinc/26/13/84/553261384.db2.gz XLHUGCIKYZNQDF-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009432162 553261395 /nfs/dbraw/zinc/26/13/95/553261395.db2.gz VELHCAJHHHCWLD-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432179 553261578 /nfs/dbraw/zinc/26/15/78/553261578.db2.gz PBQZUEMBZMLVIP-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000009432182 553261587 /nfs/dbraw/zinc/26/15/87/553261587.db2.gz NDDVSRLUCJHLGS-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000009432207 553261661 /nfs/dbraw/zinc/26/16/61/553261661.db2.gz VGCWLYRJLYVDIN-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432213 553261959 /nfs/dbraw/zinc/26/19/59/553261959.db2.gz ZWHPNWDDSDDYRV-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000009432227 553261971 /nfs/dbraw/zinc/26/19/71/553261971.db2.gz JBSIVDFEKBINSF-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000009432270 553262126 /nfs/dbraw/zinc/26/21/26/553262126.db2.gz CEABVFOEOKXODR-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432254 553262152 /nfs/dbraw/zinc/26/21/52/553262152.db2.gz INMHOLSOUSTYBB-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432295 553262361 /nfs/dbraw/zinc/26/23/61/553262361.db2.gz LVWKWKAJSMWLEI-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)c1 ZINC000009432309 553262420 /nfs/dbraw/zinc/26/24/20/553262420.db2.gz XPCHFEWGWAJSTF-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)cc1 ZINC000009597257 553283565 /nfs/dbraw/zinc/28/35/65/553283565.db2.gz VJAPDTLSTWSHGJ-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc2ccccc2c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000009925871 553316919 /nfs/dbraw/zinc/31/69/19/553316919.db2.gz PYSNBJQOQBBIOH-UHFFFAOYSA-N -1 1 516.601 6.428 50 0 KKAAMM O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000012009235 553349928 /nfs/dbraw/zinc/34/99/28/553349928.db2.gz XDNXPDGKLJUXQD-UHFFFAOYSA-N -1 1 522.348 5.207 50 0 KKAAMM O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012570476 553398282 /nfs/dbraw/zinc/39/82/82/553398282.db2.gz DLUPBFPZPIVFDI-UHFFFAOYSA-N -1 1 502.999 5.914 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)[C@]3(c4ccccc4Cl)CCCCC3=O)ccc2C)c1 ZINC000012600401 553401368 /nfs/dbraw/zinc/40/13/68/553401368.db2.gz YCPHNNBJHNMZEW-NDEPHWFRSA-N -1 1 525.070 5.868 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCc4nnc(-c5cccs5)o4)nc3c2)cc1 ZINC000013128747 553450032 /nfs/dbraw/zinc/45/00/32/553450032.db2.gz GXULVICJJCLHJP-UHFFFAOYSA-N -1 1 500.583 5.041 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 ZINC000013147611 553455446 /nfs/dbraw/zinc/45/54/46/553455446.db2.gz UVVLYJZNTGTEJY-UHFFFAOYSA-N -1 1 511.383 5.072 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013936185 553495965 /nfs/dbraw/zinc/49/59/65/553495965.db2.gz QTPGAFCYZKBSDN-UHFFFAOYSA-N -1 1 502.448 6.756 50 0 KKAAMM CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000017085971 553587814 /nfs/dbraw/zinc/58/78/14/553587814.db2.gz WDDQICMSCYFJLC-HUTHGQBESA-N -1 1 514.283 5.984 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000020134992 553593198 /nfs/dbraw/zinc/59/31/98/553593198.db2.gz SHJASDJNRCZYIE-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000017576589 553597941 /nfs/dbraw/zinc/59/79/41/553597941.db2.gz XGIODUFWIZKLHP-OAQYLSRUSA-N -1 1 530.433 5.869 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018156617 553606645 /nfs/dbraw/zinc/60/66/45/553606645.db2.gz QQLFJLVMQCIPOZ-FCEKVYKBSA-N -1 1 500.595 5.542 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4c(F)cccc4Cl)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000071386404 553635675 /nfs/dbraw/zinc/63/56/75/553635675.db2.gz IHMPJMNIUUDPPY-UHFFFAOYSA-N -1 1 549.908 6.506 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490504 553660352 /nfs/dbraw/zinc/66/03/52/553660352.db2.gz DIARCSKNTKSRMF-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490518 553660406 /nfs/dbraw/zinc/66/04/06/553660406.db2.gz JZXNGQCCHVHDFK-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490546 553660640 /nfs/dbraw/zinc/66/06/40/553660640.db2.gz SEPNIRJRMNYOTF-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490536 553660782 /nfs/dbraw/zinc/66/07/82/553660782.db2.gz NXLSZPDVDTUEMK-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490592 553661128 /nfs/dbraw/zinc/66/11/28/553661128.db2.gz SFROHCJSYFUVCY-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020490668 553661464 /nfs/dbraw/zinc/66/14/64/553661464.db2.gz GMSBZAXTEGUXJC-PKTZIBPZSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020490692 553661607 /nfs/dbraw/zinc/66/16/07/553661607.db2.gz QFHNDUXDOSABRO-RPBOFIJWSA-N -1 1 518.589 5.760 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490688 553661730 /nfs/dbraw/zinc/66/17/30/553661730.db2.gz JPCYLEYOLHUXDK-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490777 553661968 /nfs/dbraw/zinc/66/19/68/553661968.db2.gz UEPYKASWMPPSOD-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020490743 553662006 /nfs/dbraw/zinc/66/20/06/553662006.db2.gz YQRQUBLMJMPKLT-GOTSBHOMSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490889 553662858 /nfs/dbraw/zinc/66/28/58/553662858.db2.gz PMGOROWVTCHDKS-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490905 553663239 /nfs/dbraw/zinc/66/32/39/553663239.db2.gz QNNTUXFSZAQWNF-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490942 553663289 /nfs/dbraw/zinc/66/32/89/553663289.db2.gz BQZYKZSAQAERAD-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491006 553663699 /nfs/dbraw/zinc/66/36/99/553663699.db2.gz YBFNYKWBWBMTPN-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000020491175 553664338 /nfs/dbraw/zinc/66/43/38/553664338.db2.gz YMDKYNSIBWCEDO-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491270 553664698 /nfs/dbraw/zinc/66/46/98/553664698.db2.gz AIOLWGDDVBJHAS-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491274 553664718 /nfs/dbraw/zinc/66/47/18/553664718.db2.gz AIOLWGDDVBJHAS-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491268 553664842 /nfs/dbraw/zinc/66/48/42/553664842.db2.gz LDPVOHJZQGZXCF-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491408 553665264 /nfs/dbraw/zinc/66/52/64/553665264.db2.gz PMYYDFJUWLWKIW-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4sc5ccccc5c4Cl)s3)CC2=O)cc1Cl ZINC000020582137 553676377 /nfs/dbraw/zinc/67/63/77/553676377.db2.gz QNOMARJDICPBOT-GFCCVEGCSA-N -1 1 503.436 6.141 50 0 KKAAMM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(OC)cc6)coc5c43)cc2)cc1 ZINC000085876474 553688932 /nfs/dbraw/zinc/68/89/32/553688932.db2.gz XUFSMLRMXFILAW-SANMLTNESA-N -1 1 564.590 6.245 50 0 biogenic KKAAMM COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)cc6)coc-5c43)cc2)cc1 ZINC000085876474 553688935 /nfs/dbraw/zinc/68/89/35/553688935.db2.gz XUFSMLRMXFILAW-SANMLTNESA-N -1 1 564.590 6.245 50 0 biogenic KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020849976 553699409 /nfs/dbraw/zinc/69/94/09/553699409.db2.gz VPUNHHDTKNXPIA-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903606 553701553 /nfs/dbraw/zinc/70/15/53/553701553.db2.gz ZPYLKQAXITUTBB-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903610 553701581 /nfs/dbraw/zinc/70/15/81/553701581.db2.gz ZPYLKQAXITUTBB-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c(C)c1 ZINC000020903651 553701831 /nfs/dbraw/zinc/70/18/31/553701831.db2.gz BUROTVNHWWEMOV-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903662 553701857 /nfs/dbraw/zinc/70/18/57/553701857.db2.gz ODFYAKRZXCGTSE-XZOQPEGZSA-N -1 1 508.525 5.282 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000020903748 553702294 /nfs/dbraw/zinc/70/22/94/553702294.db2.gz ZBFFXJTUQSIJNZ-AHWVRZQESA-N -1 1 512.635 5.436 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903817 553702590 /nfs/dbraw/zinc/70/25/90/553702590.db2.gz OAGSRGVJQKZFMG-DQEYMECFSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000020903807 553702645 /nfs/dbraw/zinc/70/26/45/553702645.db2.gz SGEPEDFJPZLHSC-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903778 553702692 /nfs/dbraw/zinc/70/26/92/553702692.db2.gz SHEDTCSKSZTLTC-JWQCQUIFSA-N -1 1 500.599 5.566 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000020903937 553702911 /nfs/dbraw/zinc/70/29/11/553702911.db2.gz AHJCWDQZPSDSKE-RBBKRZOGSA-N -1 1 509.056 5.888 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903962 553702991 /nfs/dbraw/zinc/70/29/91/553702991.db2.gz MNKXAFWYIFSSDZ-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000020903966 553702998 /nfs/dbraw/zinc/70/29/98/553702998.db2.gz MXBYVFRZOLVLRC-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903995 553703185 /nfs/dbraw/zinc/70/31/85/553703185.db2.gz BYOWRYZAYRGSKB-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904038 553703215 /nfs/dbraw/zinc/70/32/15/553703215.db2.gz HQDPVZJFJHJVEA-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904048 553703741 /nfs/dbraw/zinc/70/37/41/553703741.db2.gz XLLBTVBWQGMWMW-LOSJGSFVSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)NCC(C)C)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000096276681 553733488 /nfs/dbraw/zinc/73/34/88/553733488.db2.gz RFTFKGFVYIZNAV-UHFFFAOYSA-N -1 1 510.059 5.838 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCC1 ZINC000097949476 553801957 /nfs/dbraw/zinc/80/19/57/553801957.db2.gz SVMBTOKLJSACBR-FQEVSTJZSA-N -1 1 546.282 7.513 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc3ccccc32)N(c2cccc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000097949446 553801975 /nfs/dbraw/zinc/80/19/75/553801975.db2.gz GFQATZYDWXKFGC-WJOKGBTCSA-N -1 1 544.655 7.506 50 0 KKAAMM COc1ccccc1CN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949739 553802757 /nfs/dbraw/zinc/80/27/57/553802757.db2.gz MTLSUMDZYZCPHD-HSZRJFAPSA-N -1 1 529.424 6.472 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000029748849 553850183 /nfs/dbraw/zinc/85/01/83/553850183.db2.gz GFPVMFNJPNGMHA-VXKWHMMOSA-N -1 1 581.735 5.286 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCN(c2ccccc2C)CC1 ZINC000097960004 553867679 /nfs/dbraw/zinc/86/76/79/553867679.db2.gz IQZYXXFIRGIQBJ-UHFFFAOYSA-N -1 1 554.529 6.422 50 0 biogenic KKAAMM CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000097960028 553867689 /nfs/dbraw/zinc/86/76/89/553867689.db2.gz KMPIOKVVLFGBFT-UHFFFAOYSA-N -1 1 524.451 5.780 50 0 KKAAMM CCOc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3c(C)onc3-c3ccccc3Cl)s2)cc1 ZINC000097961456 553878169 /nfs/dbraw/zinc/87/81/69/553878169.db2.gz DENYLCQNLUFAOG-UHFFFAOYSA-N -1 1 530.031 5.537 50 0 KKAAMM O=C(CSc1nnc([N-]C(=O)c2ccc(Br)o2)s1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000097961693 553880048 /nfs/dbraw/zinc/88/00/48/553880048.db2.gz HMYOZXFQNBCAKF-UHFFFAOYSA-N -1 1 541.758 5.549 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 ZINC000097965110 553902769 /nfs/dbraw/zinc/90/27/69/553902769.db2.gz GEMINHBMZQMDAU-LSURQMDQSA-N -1 1 594.183 7.701 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000097965191 553903625 /nfs/dbraw/zinc/90/36/25/553903625.db2.gz ZARXWDMTYZVJNC-AVQUNYNYSA-N -1 1 618.105 7.856 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357630 553949778 /nfs/dbraw/zinc/94/97/78/553949778.db2.gz PEKCLHBZMYJWHX-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000033357635 553949787 /nfs/dbraw/zinc/94/97/87/553949787.db2.gz RVTUWLRLFOIAMS-RPWUZVMVSA-N -1 1 563.477 5.636 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(CC)cc3)nc2[O-])cc1 ZINC000033357693 553950404 /nfs/dbraw/zinc/95/04/04/553950404.db2.gz RXLTZJWIMYHFFZ-SVBPBHIXSA-N -1 1 554.672 5.604 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2NCc2ccccc2Cl)c1 ZINC000033358180 553953316 /nfs/dbraw/zinc/95/33/16/553953316.db2.gz ZVPCHSXSRBVXTF-UHFFFAOYSA-N -1 1 591.133 5.724 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000033410836 553959224 /nfs/dbraw/zinc/95/92/24/553959224.db2.gz LSYHVQWEJLKCSG-UHFFFAOYSA-N -1 1 503.451 6.553 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccccc6)CCC[C@@H]5[C@@H]4c4ccccc4)s3)c(=O)oc2cc1[O-] ZINC000097971259 553962034 /nfs/dbraw/zinc/96/20/34/553962034.db2.gz HWZWENZDLZHAKM-HPGWIMHESA-N -1 1 615.799 9.546 50 0 KKAAMM COc1cc(/C=C/C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000097980583 553989978 /nfs/dbraw/zinc/98/99/78/553989978.db2.gz YAGJLEKPVWDHQW-MHWRWJLKSA-N -1 1 627.140 6.186 50 0 KKAAMM CSc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2Cl)cc1 ZINC000097980626 553990378 /nfs/dbraw/zinc/99/03/78/553990378.db2.gz ZUEWXAJOMHPYIA-YIXHJXPBSA-N -1 1 584.888 6.119 50 0 KKAAMM O=C1[C@H]2[C@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000097983905 554012766 /nfs/dbraw/zinc/01/27/66/554012766.db2.gz SOJAJBBXHRKXOW-XQOSCOKLSA-N -1 1 541.028 5.537 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc4c(c3)OCO4)CCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097984237 554015021 /nfs/dbraw/zinc/01/50/21/554015021.db2.gz FEIUURSBSRXRLE-VXDAUADKSA-N -1 1 670.143 7.035 50 0 KKAAMM Cc1nc(-c2coc3cc(OCc4nc5ccc(Cl)cn5c4Br)cc([O-])c3c2=O)cs1 ZINC000097987853 554027565 /nfs/dbraw/zinc/02/75/65/554027565.db2.gz ZWBSTGXGCCJSIP-UHFFFAOYSA-N -1 1 518.776 5.573 50 0 KKAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035886893 554088461 /nfs/dbraw/zinc/08/84/61/554088461.db2.gz WEIMUGMVTCTQRD-UIOOFZCWSA-N -1 1 508.615 5.512 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1C ZINC000035910952 554094485 /nfs/dbraw/zinc/09/44/85/554094485.db2.gz JCXDOHOETOIOEU-HSZRJFAPSA-N -1 1 517.470 5.645 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035912473 554095937 /nfs/dbraw/zinc/09/59/37/554095937.db2.gz SHDMABHLVWRRIR-SANMLTNESA-N -1 1 510.681 5.962 50 0 KKAAMM COc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000098022870 554119679 /nfs/dbraw/zinc/11/96/79/554119679.db2.gz UWBBJGBAPFUJDN-QFIPXVFZSA-N -1 1 519.442 5.037 50 0 KKAAMM COc1ccc(CNc2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000098049732 554168558 /nfs/dbraw/zinc/16/85/58/554168558.db2.gz FCVRIFLVBXISKN-NHCUHLMSSA-N -1 1 537.682 5.235 50 0 KKAAMM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100233635 554257841 /nfs/dbraw/zinc/25/78/41/554257841.db2.gz SUDPKNWTNWZJPY-UMSFTDKQSA-N -1 1 568.673 6.560 50 0 KKAAMM COc1cc2c3c(Cc4ccccc4)nn(-c4ccccc4)c3nc(-c3cc(Br)ccc3[O-])c2cc1OC ZINC000049763243 554325387 /nfs/dbraw/zinc/32/53/87/554325387.db2.gz CLNHLHIBIQRBBQ-UHFFFAOYSA-N -1 1 566.455 7.317 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000049917797 554327085 /nfs/dbraw/zinc/32/70/85/554327085.db2.gz HAEIGYNTBRUCEE-HSZRJFAPSA-N -1 1 582.315 7.813 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100426119 554387635 /nfs/dbraw/zinc/38/76/35/554387635.db2.gz UCYDEMADQPKPAG-HUBRWUETSA-N -1 1 582.697 7.416 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100426124 554387693 /nfs/dbraw/zinc/38/76/93/554387693.db2.gz UCYDEMADQPKPAG-NHOCJEJCSA-N -1 1 582.697 7.416 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)c1 ZINC000059651233 554418347 /nfs/dbraw/zinc/41/83/47/554418347.db2.gz LFJZVNNWAGOXCH-PMERELPUSA-N -1 1 557.697 5.822 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C(F)(F)F)cc1 ZINC000100617213 554432936 /nfs/dbraw/zinc/43/29/36/554432936.db2.gz FHAFVQWFDMMZLM-UHFFFAOYSA-N -1 1 504.512 6.285 50 0 KKAAMM O=C(C[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100617578 554433003 /nfs/dbraw/zinc/43/30/03/554433003.db2.gz WSIODVLCEUGFMJ-UMSFTDKQSA-N -1 1 596.683 6.477 50 0 KKAAMM O=c1c2c(-c3ccc(Br)cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1Cl ZINC000100894208 554513449 /nfs/dbraw/zinc/51/34/49/554513449.db2.gz QHONSMPLHQZFEO-CTNGQTDRSA-N -1 1 515.194 5.538 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5ccc(SC)cc5)no4)c(C)c3c2)cc1 ZINC000064775170 554515440 /nfs/dbraw/zinc/51/54/40/554515440.db2.gz OLQAZAWXCQMBGE-UHFFFAOYSA-N -1 1 507.593 5.990 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101166592 554661054 /nfs/dbraw/zinc/66/10/54/554661054.db2.gz WSGXYDUGBGMQTN-FCEKVYKBSA-N -1 1 500.595 5.624 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1OC ZINC000101289570 554707158 /nfs/dbraw/zinc/70/71/58/554707158.db2.gz FIQXLMRBKZELMK-ZEQKJWHPSA-N -1 1 528.634 5.190 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290200 554707740 /nfs/dbraw/zinc/70/77/40/554707740.db2.gz CMUFZOYIKSPTBS-UIOOFZCWSA-N -1 1 547.080 6.225 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101290758 554708074 /nfs/dbraw/zinc/70/80/74/554708074.db2.gz LOOSGHXXNYMLLR-CLJLJLNGSA-N -1 1 530.625 5.711 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101290951 554708293 /nfs/dbraw/zinc/70/82/93/554708293.db2.gz MFDPVEJGEFMURZ-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1F ZINC000101291680 554708666 /nfs/dbraw/zinc/70/86/66/554708666.db2.gz MIIOEIUEMQKQSP-RPWUZVMVSA-N -1 1 539.007 6.105 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101291720 554708795 /nfs/dbraw/zinc/70/87/95/554708795.db2.gz VQVIDJQLNDFBRO-RPBOFIJWSA-N -1 1 551.043 6.056 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292505 554709111 /nfs/dbraw/zinc/70/91/11/554709111.db2.gz IXWXAZAVYZPXAB-LOSJGSFVSA-N -1 1 551.043 5.974 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1OC ZINC000101292922 554709565 /nfs/dbraw/zinc/70/95/65/554709565.db2.gz VQSAHIXOYIKBJM-IGKIAQTJSA-N -1 1 560.651 5.638 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293354 554709880 /nfs/dbraw/zinc/70/98/80/554709880.db2.gz LRWJQLXTKOEIOI-IGKIAQTJSA-N -1 1 542.661 5.499 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000101293387 554710158 /nfs/dbraw/zinc/71/01/58/554710158.db2.gz AXYCOIVCORFPAX-ZEQRLZLVSA-N -1 1 547.478 5.935 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101294260 554711120 /nfs/dbraw/zinc/71/11/20/554711120.db2.gz PHDUETBORYNFOJ-CLJLJLNGSA-N -1 1 563.079 5.925 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2cccc(C)c2)cc1 ZINC000101443693 554773778 /nfs/dbraw/zinc/77/37/78/554773778.db2.gz BBJSHFSWPBBLPZ-UHFFFAOYSA-N -1 1 556.666 7.154 50 0 KKAAMM COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)c1 ZINC000101497762 554786959 /nfs/dbraw/zinc/78/69/59/554786959.db2.gz NFRXHJDTUCCWFK-KEEVHDRGSA-N -1 1 514.553 6.249 50 0 KKAAMM COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000101917375 554850598 /nfs/dbraw/zinc/85/05/98/554850598.db2.gz RRNJJUHGIXCBAP-UHFFFAOYSA-N -1 1 540.551 5.450 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969342 554854794 /nfs/dbraw/zinc/85/47/94/554854794.db2.gz BFSGBVDMLFPSNZ-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969294 554854814 /nfs/dbraw/zinc/85/48/14/554854814.db2.gz GIXXUUBSDCOMCP-AOYPEHQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969433 554855048 /nfs/dbraw/zinc/85/50/48/554855048.db2.gz PDHYTTLTUYPLOP-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969608 554855315 /nfs/dbraw/zinc/85/53/15/554855315.db2.gz RQFARRUFUCJHBJ-ILBGXUMGSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101969515 554855399 /nfs/dbraw/zinc/85/53/99/554855399.db2.gz DYJCJNKNADSXFE-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969735 554855595 /nfs/dbraw/zinc/85/55/95/554855595.db2.gz QIPYTPWFLKIGJO-ILBGXUMGSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969683 554855640 /nfs/dbraw/zinc/85/56/40/554855640.db2.gz LRHVMSMWDIBOJA-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969792 554855676 /nfs/dbraw/zinc/85/56/76/554855676.db2.gz UFFRIQSKMCZCFW-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969876 554855963 /nfs/dbraw/zinc/85/59/63/554855963.db2.gz LENJIMNNGGNCAF-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969934 554856234 /nfs/dbraw/zinc/85/62/34/554856234.db2.gz MKMMWOGSAGNWCA-SXOMAYOGSA-N -1 1 542.661 5.499 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000101970169 554856480 /nfs/dbraw/zinc/85/64/80/554856480.db2.gz GQGMJNONMWRHDS-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101970030 554856501 /nfs/dbraw/zinc/85/65/01/554856501.db2.gz DQNIRWDQVVDXFW-AZGAKELHSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101970402 554856866 /nfs/dbraw/zinc/85/68/66/554856866.db2.gz SBYVOZUQPMQWGV-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1F ZINC000101970262 554856931 /nfs/dbraw/zinc/85/69/31/554856931.db2.gz FYKNQZIKFAMLOG-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970378 554856942 /nfs/dbraw/zinc/85/69/42/554856942.db2.gz FBVZQYQROFJTOC-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1C ZINC000101970418 554857131 /nfs/dbraw/zinc/85/71/31/554857131.db2.gz MHEGWZIVQWGGHK-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1cccc(F)c1 ZINC000101970469 554857267 /nfs/dbraw/zinc/85/72/67/554857267.db2.gz JBBNWDOUANRZKM-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101970448 554857336 /nfs/dbraw/zinc/85/73/36/554857336.db2.gz WNZUHSUPILMKCA-LADGPHEKSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970478 554857364 /nfs/dbraw/zinc/85/73/64/554857364.db2.gz VQZJXGYKSJXBQI-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101970698 554857740 /nfs/dbraw/zinc/85/77/40/554857740.db2.gz DETMRDDZLJAFTE-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000101970883 554858247 /nfs/dbraw/zinc/85/82/47/554858247.db2.gz MJJOVMOOBUGYJL-ZEQRLZLVSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970906 554858351 /nfs/dbraw/zinc/85/83/51/554858351.db2.gz VBSIOQWTDPIAIE-AZGAKELHSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000101970838 554858384 /nfs/dbraw/zinc/85/83/84/554858384.db2.gz PYDRHTYKOOMQJW-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101971462 554859274 /nfs/dbraw/zinc/85/92/74/554859274.db2.gz SJHNQVJVEUYNMI-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101971407 554859319 /nfs/dbraw/zinc/85/93/19/554859319.db2.gz NKJJVHHGTYEZFD-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101971661 554859552 /nfs/dbraw/zinc/85/95/52/554859552.db2.gz PJNQTXWOWDZIQB-AHWVRZQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101971650 554859597 /nfs/dbraw/zinc/85/95/97/554859597.db2.gz IVUCVDPPGUASIB-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971713 554859772 /nfs/dbraw/zinc/85/97/72/554859772.db2.gz GRHTXGKVZHIUPM-UIOOFZCWSA-N -1 1 528.634 5.272 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971708 554859814 /nfs/dbraw/zinc/85/98/14/554859814.db2.gz GRHTXGKVZHIUPM-IZZNHLLZSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101972261 554860071 /nfs/dbraw/zinc/86/00/71/554860071.db2.gz ZMLAWWTYZRTLGN-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972289 554860124 /nfs/dbraw/zinc/86/01/24/554860124.db2.gz UGQZBGRTUUDXMX-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972414 554860304 /nfs/dbraw/zinc/86/03/04/554860304.db2.gz KQJYWWKMNQCTHH-JWQCQUIFSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972401 554860372 /nfs/dbraw/zinc/86/03/72/554860372.db2.gz KQJYWWKMNQCTHH-LOSJGSFVSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972452 554860554 /nfs/dbraw/zinc/86/05/54/554860554.db2.gz UFWDDRBVNKJMGK-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972464 554860602 /nfs/dbraw/zinc/86/06/02/554860602.db2.gz GWNNUHUHDXVZIW-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101972652 554861044 /nfs/dbraw/zinc/86/10/44/554861044.db2.gz MAJOGCJQXBKICW-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972777 554861221 /nfs/dbraw/zinc/86/12/21/554861221.db2.gz CBZNJFSLALCPLU-ZEQRLZLVSA-N -1 1 522.552 5.590 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973229 554861916 /nfs/dbraw/zinc/86/19/16/554861916.db2.gz IETPDRQVNPKEQU-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973222 554861964 /nfs/dbraw/zinc/86/19/64/554861964.db2.gz IETPDRQVNPKEQU-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101973349 554862337 /nfs/dbraw/zinc/86/23/37/554862337.db2.gz ZPWNBXUPACDXMT-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101973569 554862586 /nfs/dbraw/zinc/86/25/86/554862586.db2.gz VCYODCHUTWZXRL-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000102091914 554877879 /nfs/dbraw/zinc/87/78/79/554877879.db2.gz BCPXJYNUWZJDKW-YPMLDQLKSA-N -1 1 528.310 6.949 50 0 KKAAMM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000102091919 554877889 /nfs/dbraw/zinc/87/78/89/554877889.db2.gz BCPXJYNUWZJDKW-MLCYQJTMSA-N -1 1 528.310 6.949 50 0 KKAAMM CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2c(Br)cc(Br)c([O-])c2Br)N3)C1 ZINC000102095766 554879221 /nfs/dbraw/zinc/87/92/21/554879221.db2.gz SASUUZDMJOKUPT-INIZCTEOSA-N -1 1 580.140 5.937 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1ccc(Cl)cc1 ZINC000102278593 554906607 /nfs/dbraw/zinc/90/66/07/554906607.db2.gz MZHIJXNIELRJDZ-UHFFFAOYSA-N -1 1 526.405 5.756 50 0 KKAAMM COc1ccccc1CCN1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)C1(C)C ZINC000102413857 554924332 /nfs/dbraw/zinc/92/43/32/554924332.db2.gz ANMRYVCVEQSFKU-XMMPIXPASA-N -1 1 610.555 7.246 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000102546992 554959613 /nfs/dbraw/zinc/95/96/13/554959613.db2.gz YXBONIGPADEYHY-UHFFFAOYSA-N -1 1 611.529 8.152 50 0 KKAAMM Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1[C@H](c1[n-]n(-c2ccccc2)c(=O)c1C)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000102694694 555009780 /nfs/dbraw/zinc/00/97/80/555009780.db2.gz BMSUETPYNCWBPY-MGBGTMOVSA-N -1 1 608.702 7.553 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccc(OC)cc3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000102730302 555023486 /nfs/dbraw/zinc/02/34/86/555023486.db2.gz ZOAWORPPACVVCQ-UHFFFAOYSA-N -1 1 620.650 5.041 50 0 KKAAMM COc1ccc(CNc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000102730590 555023558 /nfs/dbraw/zinc/02/35/58/555023558.db2.gz FQVPISRCMMBMID-UHFFFAOYSA-N -1 1 600.741 5.075 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102755671 555047811 /nfs/dbraw/zinc/04/78/11/555047811.db2.gz ZHNFUFCFIZKELK-JCYYIGJDSA-N -1 1 500.595 5.488 50 0 KKAAMM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1S(=O)(=O)c1ccccc1 ZINC000102780264 555065809 /nfs/dbraw/zinc/06/58/09/555065809.db2.gz YDHXNZAXIYVZEB-NDEPHWFRSA-N -1 1 531.659 5.336 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000102810949 555074691 /nfs/dbraw/zinc/07/46/91/555074691.db2.gz FFPFTWNYRGBWPC-FTJBHMTQSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc(OC)c1 ZINC000102810983 555074744 /nfs/dbraw/zinc/07/47/44/555074744.db2.gz ZRLNGDSPGUQMEA-UIOOFZCWSA-N -1 1 563.079 5.844 50 0 KKAAMM O=C(NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc21 ZINC000102928534 555154009 /nfs/dbraw/zinc/15/40/09/555154009.db2.gz JUEVIQJMKQQVRI-UHFFFAOYSA-N -1 1 546.605 5.562 50 0 KKAAMM Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2Cl)c1=O)c1ccc(C(C)C)cc1 ZINC000102948760 555172222 /nfs/dbraw/zinc/17/22/22/555172222.db2.gz 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/nfs/dbraw/zinc/19/34/52/555193452.db2.gz UBBFDOBFFIPKAI-UHFFFAOYSA-N -1 1 566.035 5.663 50 0 KKAAMM O=C(CCC(=O)c1ccc(Cl)s1)Nc1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000102993668 555193627 /nfs/dbraw/zinc/19/36/27/555193627.db2.gz LTTNWUFHHOHUBK-UHFFFAOYSA-N -1 1 574.849 5.409 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000102999487 555199269 /nfs/dbraw/zinc/19/92/69/555199269.db2.gz WVMVRLWOMCYXQI-UHFFFAOYSA-N -1 1 566.076 5.015 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3sc4cc(F)ccc4c3Cl)ccc2N2CCOCC2)cc1 ZINC000103011931 555206758 /nfs/dbraw/zinc/20/67/58/555206758.db2.gz IVOPPTLXSJVSBL-UHFFFAOYSA-N -1 1 576.071 5.592 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccc(Br)cc3)ccc2N2CCCCC2)cc1 ZINC000103050115 555232452 /nfs/dbraw/zinc/23/24/52/555232452.db2.gz OLUYATDXAQFUTJ-UHFFFAOYSA-N -1 1 574.497 5.266 50 0 KKAAMM COc1ccc(C)cc1NC1=C(Sc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C(=O)N(c2ccccc2)C1=O ZINC000103396682 555382538 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ZINC000002223771 552081723 /nfs/dbraw/zinc/08/17/23/552081723.db2.gz TYLIZGPQFXHXDB-UHFFFAOYSA-N -1 1 540.756 7.656 50 0 KKAAMM COC(=O)[C@]([N-]c1nc2c(ccc(Cl)c2C)s1)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002348792 552099386 /nfs/dbraw/zinc/09/93/86/552099386.db2.gz PPWIGKGDDWSYKO-GOSISDBHSA-N -1 1 526.751 5.838 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2NCc2ccccc2Cl)c1 ZINC000003015063 552260857 /nfs/dbraw/zinc/26/08/57/552260857.db2.gz ASYIPZCNNKLUAD-UHFFFAOYSA-N -1 1 514.047 5.388 50 0 KKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3c(F)cccc3Cl)[n-]c(=O)c2sc1=S ZINC000003034170 552268863 /nfs/dbraw/zinc/26/88/63/552268863.db2.gz ISMJQJGEFVTSKI-UHFFFAOYSA-N -1 1 500.429 6.252 50 0 KKAAMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1 ZINC000003104275 552288487 /nfs/dbraw/zinc/28/84/87/552288487.db2.gz YVCYJEIZTPXNPB-UHFFFAOYSA-N -1 1 599.384 6.553 50 0 KKAAMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3cccc4ccccc43)ccc1-2 ZINC000003139117 552294185 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/nfs/dbraw/zinc/34/85/93/552348593.db2.gz XHSNCVAZJSRLJJ-UHFFFAOYSA-N -1 1 504.589 5.765 50 0 KKAAMM CCCc1cc(=O)[n-]c(S[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003311584 552352207 /nfs/dbraw/zinc/35/22/07/552352207.db2.gz UJQGKBVZXUVASG-RPWUZVMVSA-N -1 1 512.056 5.396 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(C(=O)OC)c3)c2)cc1 ZINC000003357926 552369832 /nfs/dbraw/zinc/36/98/32/552369832.db2.gz NOWSLXBGBUHBJR-UHFFFAOYSA-N -1 1 501.004 5.522 50 0 KKAAMM CCCCCn1nc(C(=O)OCc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)c2ccccc2c1=O ZINC000003362516 552371875 /nfs/dbraw/zinc/37/18/75/552371875.db2.gz QTFWUSMKODNFGQ-UHFFFAOYSA-N -1 1 535.025 5.562 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)ccc2oc1-c1ccccc1 ZINC000003368498 552374279 /nfs/dbraw/zinc/37/42/79/552374279.db2.gz CZBNOXFXPSWRBP-UHFFFAOYSA-N -1 1 512.543 5.796 50 0 KKAAMM CCCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc21 ZINC000003368522 552374317 /nfs/dbraw/zinc/37/43/17/552374317.db2.gz PJMHHVLXGJPIQG-UHFFFAOYSA-N -1 1 530.440 6.805 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)ccc21 ZINC000003448933 552388503 /nfs/dbraw/zinc/38/85/03/552388503.db2.gz JYEZOQTWRCQLTG-LJQANCHMSA-N -1 1 576.074 6.453 50 0 KKAAMM COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000004020299 552430114 /nfs/dbraw/zinc/43/01/14/552430114.db2.gz OUWRTVWCTUZYMO-UHFFFAOYSA-N -1 1 508.530 5.926 50 0 KKAAMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1-c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1OC ZINC000004109602 552437915 /nfs/dbraw/zinc/43/79/15/552437915.db2.gz BTOOIYFXURQFTJ-UHFFFAOYSA-N -1 1 584.628 7.593 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccccc3Cl)c2)cc1Br ZINC000005941137 552513644 /nfs/dbraw/zinc/51/36/44/552513644.db2.gz WGSSFSKFLFUFMF-UHFFFAOYSA-N -1 1 530.227 5.818 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3[C@@H](C)CCCC(C)C)c2)cc1 ZINC000005941980 552514437 /nfs/dbraw/zinc/51/44/37/552514437.db2.gz LOPUWWDKCRKRSB-VWLOTQADSA-N -1 1 635.856 7.489 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3)c2)c1 ZINC000006132085 552535297 /nfs/dbraw/zinc/53/52/97/552535297.db2.gz IINMGUPNUKIVQP-MHZLTWQESA-N -1 1 582.600 6.660 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1 ZINC000006141952 552542970 /nfs/dbraw/zinc/54/29/70/552542970.db2.gz ZFHWHBFRIFIWTC-INIZCTEOSA-N -1 1 521.422 5.595 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 ZINC000006143010 552544584 /nfs/dbraw/zinc/54/45/84/552544584.db2.gz SKMHECXJWYIZED-KRWDZBQOSA-N -1 1 549.476 6.321 50 0 KKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(S(=O)(=O)Nc3cc(C)ccc3C)c3cccc4c3c2SC4=O)c1 ZINC000006142954 552544611 /nfs/dbraw/zinc/54/46/11/552544611.db2.gz UVTWIECWYFKPFP-UHFFFAOYSA-N -1 1 552.699 5.921 50 0 KKAAMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000008384589 552989627 /nfs/dbraw/zinc/98/96/27/552989627.db2.gz SRAKEUNKJRJZAT-UHFFFAOYSA-N -1 1 748.585 6.673 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000008385765 552991380 /nfs/dbraw/zinc/99/13/80/552991380.db2.gz JZAKXZNDNYNSCF-UHFFFAOYSA-N -1 1 567.755 8.102 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000008431473 553023239 /nfs/dbraw/zinc/02/32/39/553023239.db2.gz MECHFKHYBRFWIU-UHFFFAOYSA-N -1 1 560.629 6.984 50 0 KKAAMM COc1ccc(C(=O)Oc2ccc(C(c3c(C)[n-]n(-c4ccccc4)c3=O)c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)cc1 ZINC000008431470 553023246 /nfs/dbraw/zinc/02/32/46/553023246.db2.gz PYWGPCRSGZJBJR-UHFFFAOYSA-N -1 1 586.648 6.494 50 0 KKAAMM Cc1c(C(=O)OC(C)C)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2n1S(=O)(=O)c1ccc(C)cc1 ZINC000008589894 553081471 /nfs/dbraw/zinc/08/14/71/553081471.db2.gz QYXZQKVANFTBAV-UHFFFAOYSA-N -1 1 540.663 5.170 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(C(=O)OCc4ccccc4)c(C)oc3c3ccccc23)cc1 ZINC000008606726 553098443 /nfs/dbraw/zinc/09/84/43/553098443.db2.gz AJYGEBPONNCWAW-UHFFFAOYSA-N -1 1 515.587 6.451 50 0 KKAAMM Cc1nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)[n-]c(=O)c1Cc1ccccc1 ZINC000008694485 553119987 /nfs/dbraw/zinc/11/99/87/553119987.db2.gz WSEOUXQKPUVORY-UHFFFAOYSA-N -1 1 520.441 7.048 50 0 KKAAMM Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)c1C(=O)OC(C)C ZINC000008871915 553171722 /nfs/dbraw/zinc/17/17/22/553171722.db2.gz KQQQNFXXKYAGJK-UHFFFAOYSA-N -1 1 502.386 6.023 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000008934208 553192659 /nfs/dbraw/zinc/19/26/59/553192659.db2.gz GIKHXEUTRYHSES-QHCPKHFHSA-N -1 1 513.425 6.506 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000009432175 553261274 /nfs/dbraw/zinc/26/12/74/553261274.db2.gz BSSDRFNMFZSUTC-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432214 553261888 /nfs/dbraw/zinc/26/18/88/553261888.db2.gz ZWHPNWDDSDDYRV-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000009432229 553261941 /nfs/dbraw/zinc/26/19/41/553261941.db2.gz NIGNENWNVWHACY-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000009432237 553261953 /nfs/dbraw/zinc/26/19/53/553261953.db2.gz NLEBESCCERWJSL-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432286 553262355 /nfs/dbraw/zinc/26/23/55/553262355.db2.gz UVROHKZUUBWYOY-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000009432299 553262531 /nfs/dbraw/zinc/26/25/31/553262531.db2.gz MTJVMNJNJOEMJG-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(NC(=O)CCC(=O)NC4CCCC4)n3)c(=O)oc2cc1[O-] ZINC000009590272 553282845 /nfs/dbraw/zinc/28/28/45/553282845.db2.gz CFKCOJAWBDNMSB-UHFFFAOYSA-N -1 1 511.644 5.522 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000009597259 553283570 /nfs/dbraw/zinc/28/35/70/553283570.db2.gz IYXVJHFBFHFPAF-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2Cl)s1 ZINC000009597253 553283587 /nfs/dbraw/zinc/28/35/87/553283587.db2.gz VGLAOZZZHNBDEF-ISKFKSNPSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)NCc2ccccc2Cl)cc1 ZINC000012252507 553355618 /nfs/dbraw/zinc/35/56/18/553355618.db2.gz SIBHFXWNCIYEHA-UHFFFAOYSA-N -1 1 512.056 5.280 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012546653 553391861 /nfs/dbraw/zinc/39/18/61/553391861.db2.gz DTDQASUIHREZOL-UHFFFAOYSA-N -1 1 515.838 5.013 50 0 KKAAMM CCOc1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc(Cl)c1[O-] ZINC000013095990 553446287 /nfs/dbraw/zinc/44/62/87/553446287.db2.gz QODHOVNLCFOPSP-UHFFFAOYSA-N -1 1 511.383 5.159 50 0 KKAAMM Cc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000013936178 553495948 /nfs/dbraw/zinc/49/59/48/553495948.db2.gz CQZRYAXESJLXBV-UHFFFAOYSA-N -1 1 500.860 6.565 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2cccc3ccccc32)cc1 ZINC000013937399 553496008 /nfs/dbraw/zinc/49/60/08/553496008.db2.gz BKWKIMOJBFNLGX-UHFFFAOYSA-N -1 1 502.448 6.756 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2N2CCCCC2)cc1 ZINC000015981985 553549001 /nfs/dbraw/zinc/54/90/01/553549001.db2.gz IFSKBZKERFGEBB-UHFFFAOYSA-N -1 1 505.596 5.485 50 0 KKAAMM O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000070664535 553594705 /nfs/dbraw/zinc/59/47/05/553594705.db2.gz KFDDCKRXKGLNDA-MHZLTWQESA-N -1 1 607.615 5.890 50 0 biogenic KKAAMM O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000070664535 553594710 /nfs/dbraw/zinc/59/47/10/553594710.db2.gz KFDDCKRXKGLNDA-MHZLTWQESA-N -1 1 607.615 5.890 50 0 biogenic KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018101660 553604463 /nfs/dbraw/zinc/60/44/63/553604463.db2.gz KXJMVBKSEQZRNO-IARZGTGTSA-N -1 1 500.595 5.624 50 0 KKAAMM Cc1nc(N)nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c1Oc1ccccc1Br ZINC000071386341 553635800 /nfs/dbraw/zinc/63/58/00/553635800.db2.gz HJKILOCPWBXZOS-UHFFFAOYSA-N -1 1 557.242 6.636 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490552 553660619 /nfs/dbraw/zinc/66/06/19/553660619.db2.gz VOKGPVXZAKAKLS-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490556 553660705 /nfs/dbraw/zinc/66/07/05/553660705.db2.gz VOKGPVXZAKAKLS-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490708 553661488 /nfs/dbraw/zinc/66/14/88/553661488.db2.gz SENQOYBAHGIOGU-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000020490674 553661568 /nfs/dbraw/zinc/66/15/68/553661568.db2.gz GMSBZAXTEGUXJC-XZOQPEGZSA-N -1 1 508.525 5.282 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000020490761 553661932 /nfs/dbraw/zinc/66/19/32/553661932.db2.gz NDDVSRLUCJHLGS-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000020490759 553661977 /nfs/dbraw/zinc/66/19/77/553661977.db2.gz BAWMNCLPBFPZRQ-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490763 553662034 /nfs/dbraw/zinc/66/20/34/553662034.db2.gz JPTWZPRSYHWESN-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490731 553662064 /nfs/dbraw/zinc/66/20/64/553662064.db2.gz LSHIPAVOHBIASB-RPBOFIJWSA-N -1 1 518.589 5.760 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000020490786 553662469 /nfs/dbraw/zinc/66/24/69/553662469.db2.gz NHCCOGMQPXENIB-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490853 553662737 /nfs/dbraw/zinc/66/27/37/553662737.db2.gz WGDFYHIRPMGLPK-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490875 553662878 /nfs/dbraw/zinc/66/28/78/553662878.db2.gz VULILGZLUPSZMA-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490881 553662927 /nfs/dbraw/zinc/66/29/27/553662927.db2.gz VRFQNEOTZLZMDN-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490903 553662939 /nfs/dbraw/zinc/66/29/39/553662939.db2.gz QNNTUXFSZAQWNF-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490863 553662946 /nfs/dbraw/zinc/66/29/46/553662946.db2.gz APFGQZCEVKLPJB-KAYWLYCHSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490879 553662981 /nfs/dbraw/zinc/66/29/81/553662981.db2.gz VRFQNEOTZLZMDN-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020490988 553663645 /nfs/dbraw/zinc/66/36/45/553663645.db2.gz GCDUNJJSKSNRPQ-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000020491023 553663726 /nfs/dbraw/zinc/66/37/26/553663726.db2.gz OMRYGNUCDAPTRY-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020491092 553664011 /nfs/dbraw/zinc/66/40/11/553664011.db2.gz NRTDNCXOJQFSDS-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020491090 553664046 /nfs/dbraw/zinc/66/40/46/553664046.db2.gz NRTDNCXOJQFSDS-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491200 553664476 /nfs/dbraw/zinc/66/44/76/553664476.db2.gz DPEICHWLFIRBHE-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491248 553664753 /nfs/dbraw/zinc/66/47/53/553664753.db2.gz IEPMELQJCISHDB-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491250 553664823 /nfs/dbraw/zinc/66/48/23/553664823.db2.gz IEPMELQJCISHDB-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491278 553664879 /nfs/dbraw/zinc/66/48/79/553664879.db2.gz WDTBQIKFJOOCLC-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491222 553664928 /nfs/dbraw/zinc/66/49/28/553664928.db2.gz JIZFZYKRQPOILX-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491342 553665247 /nfs/dbraw/zinc/66/52/47/553665247.db2.gz FMRYOJNSRJFZRC-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020849982 553699424 /nfs/dbraw/zinc/69/94/24/553699424.db2.gz VPUNHHDTKNXPIA-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020849986 553699650 /nfs/dbraw/zinc/69/96/50/553699650.db2.gz VPUNHHDTKNXPIA-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000020903684 553701807 /nfs/dbraw/zinc/70/18/07/553701807.db2.gz GAQGYJYKSKOBCN-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c(C)c1 ZINC000020903649 553701873 /nfs/dbraw/zinc/70/18/73/553701873.db2.gz BUROTVNHWWEMOV-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000020903692 553701897 /nfs/dbraw/zinc/70/18/97/553701897.db2.gz DHKXZEYAHNJODV-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903674 553701975 /nfs/dbraw/zinc/70/19/75/553701975.db2.gz UUDFFBRMYLXAHP-DQEYMECFSA-N -1 1 516.598 5.402 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020903702 553702228 /nfs/dbraw/zinc/70/22/28/553702228.db2.gz ADBJFJPESHZPRY-LOSJGSFVSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000020903714 553702236 /nfs/dbraw/zinc/70/22/36/553702236.db2.gz DZBZNCAPDSJWOW-UIOOFZCWSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020903752 553702289 /nfs/dbraw/zinc/70/22/89/553702289.db2.gz GFYHTSIAAUXIQT-RRPNLBNLSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020903754 553702335 /nfs/dbraw/zinc/70/23/35/553702335.db2.gz GFYHTSIAAUXIQT-KAYWLYCHSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903779 553702620 /nfs/dbraw/zinc/70/26/20/553702620.db2.gz SHEDTCSKSZTLTC-DQEYMECFSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903764 553702629 /nfs/dbraw/zinc/70/26/29/553702629.db2.gz SWEHSUBPUWDPSY-SVBPBHIXSA-N -1 1 510.663 6.044 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903793 553702677 /nfs/dbraw/zinc/70/26/77/553702677.db2.gz YLHASALQOBNZNC-JWQCQUIFSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903821 553702924 /nfs/dbraw/zinc/70/29/24/553702924.db2.gz LVWKWKAJSMWLEI-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903927 553702956 /nfs/dbraw/zinc/70/29/56/553702956.db2.gz GVJSPWQIAYAKHP-GMAHTHKFSA-N -1 1 504.637 5.325 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903986 553703302 /nfs/dbraw/zinc/70/33/02/553703302.db2.gz BIWPETDRZUVURN-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904034 553703349 /nfs/dbraw/zinc/70/33/49/553703349.db2.gz HQDPVZJFJHJVEA-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020904064 553703496 /nfs/dbraw/zinc/70/34/96/553703496.db2.gz DIVNVEFPIVNRPM-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)c1 ZINC000020904103 553703731 /nfs/dbraw/zinc/70/37/31/553703731.db2.gz URRGQFPBEXVIME-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM CC(C)(C)c1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000020987005 553705318 /nfs/dbraw/zinc/70/53/18/553705318.db2.gz VFTCFELHHHMJKC-UHFFFAOYSA-N -1 1 501.534 5.132 50 0 KKAAMM O=C(OCc1ccc(Cl)cc1)c1cnc(NN=c2nc(C(F)(F)F)c(C(=O)OCc3ccc(Cl)cc3)c[n-]2)nc1C(F)(F)F ZINC000095742550 553711857 /nfs/dbraw/zinc/71/18/57/553711857.db2.gz XMVJJPQZCXRPFB-UHFFFAOYSA-N -1 1 661.346 6.764 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000097949701 553802816 /nfs/dbraw/zinc/80/28/16/553802816.db2.gz IIVGWOBGGSMKAG-IBGZPJMESA-N -1 1 550.493 6.545 50 0 KKAAMM COc1ccc(C([O-])=C2[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000097951523 553809689 /nfs/dbraw/zinc/80/96/89/553809689.db2.gz BDWOKAQBXOQMAD-LQBOVUBWSA-N -1 1 529.298 5.366 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccccc2)c1CN1CCN(c2ccccc2)CC1 ZINC000097951878 553811766 /nfs/dbraw/zinc/81/17/66/553811766.db2.gz AHEAUICPFBCZIT-UHFFFAOYSA-N -1 1 534.454 5.598 50 0 KKAAMM CCOC(=O)c1c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2cccc(C)c2)sc2c1CCCC2 ZINC000027520249 553827048 /nfs/dbraw/zinc/82/70/48/553827048.db2.gz GMYRNEUQAYBMGA-BXVZCJGGSA-N -1 1 502.592 6.049 50 0 KKAAMM Cc1cc(=O)oc2cc(NC(=S)Nc3ccc(S(=O)(=O)[N-]c4cc(Cl)cc(Cl)c4)cc3)ccc12 ZINC000097960036 553868030 /nfs/dbraw/zinc/86/80/30/553868030.db2.gz IWCDYAAJXDLREF-UHFFFAOYSA-N -1 1 534.446 6.018 50 0 KKAAMM COc1ccc(C=CC(=O)Oc2cc3c4c(c2)C(C)=CC(C)(C)N4C(=O)C3=C2SC(=S)[N-]C2=O)cc1OC ZINC000097960488 553871965 /nfs/dbraw/zinc/87/19/65/553871965.db2.gz MEOKBJCGRLBWAG-PFZNQNGKSA-N -1 1 548.642 5.564 50 0 KKAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)c(F)c5)cc4)cn3)n2)c1 ZINC000032974771 553883809 /nfs/dbraw/zinc/88/38/09/553883809.db2.gz FGWYQRRZDJTXOZ-UHFFFAOYSA-N -1 1 507.522 5.036 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000097965189 553903665 /nfs/dbraw/zinc/90/36/65/553903665.db2.gz ZARXWDMTYZVJNC-RJRATBSMSA-N -1 1 618.105 7.856 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(Cl)cc6)CCC[C@H]5[C@@H]4c4ccc(Cl)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965236 553903955 /nfs/dbraw/zinc/90/39/55/553903955.db2.gz YIISXKAPYGFZJC-UUVCOMJGSA-N -1 1 684.689 10.853 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(Cl)cc6)CCC[C@@H]5[C@@H]4c4ccc(Cl)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965238 553903999 /nfs/dbraw/zinc/90/39/99/553903999.db2.gz YIISXKAPYGFZJC-SQNPOWCLSA-N -1 1 684.689 10.853 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1)c1cccc(Cl)c1 ZINC000033254917 553914210 /nfs/dbraw/zinc/91/42/10/553914210.db2.gz XMDVQCWHUQUNCM-UHFFFAOYSA-N -1 1 509.950 5.242 50 0 KKAAMM O=S(=O)([N-]c1ccc(I)cc1)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(I)cc1 ZINC000033354614 553930494 /nfs/dbraw/zinc/93/04/94/553930494.db2.gz ACMMAGHPPYXAHI-UHFFFAOYSA-N -1 1 690.322 5.651 50 0 KKAAMM O=C(Oc1ccccc1Cl)c1ccc(NCCc2ccc(Cl)cc2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000033358202 553953602 /nfs/dbraw/zinc/95/36/02/553953602.db2.gz PJAGTBCMUXOGCN-UHFFFAOYSA-N -1 1 609.453 7.687 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000097971187 553961355 /nfs/dbraw/zinc/96/13/55/553961355.db2.gz XOZIXFYDUVYLAZ-FKTRNLEFSA-N -1 1 582.125 7.578 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000097971189 553961369 /nfs/dbraw/zinc/96/13/69/553961369.db2.gz XOZIXFYDUVYLAZ-CEJBQKDMSA-N -1 1 582.125 7.578 50 0 KKAAMM COc1cc(Cl)c(C)cc1NC(=O)c1c(N)c(-c2nc3ccccc3c(=O)[n-]2)sc1Nc1ccccc1C ZINC000097971457 553962595 /nfs/dbraw/zinc/96/25/95/553962595.db2.gz RPOLBXBEAGLYJS-DEOSSOPVSA-N -1 1 546.052 6.384 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000097978629 553975191 /nfs/dbraw/zinc/97/51/91/553975191.db2.gz XCHXBXKBTKKHFD-FTJBHMTQSA-N -1 1 528.703 6.149 50 0 KKAAMM Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000097980531 553989593 /nfs/dbraw/zinc/98/95/93/553989593.db2.gz BKIRAKGHXBEPQX-CEUNXORHSA-N -1 1 586.113 7.213 50 0 KKAAMM COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc2Cl)cc1OC ZINC000097980587 553990021 /nfs/dbraw/zinc/99/00/21/553990021.db2.gz HIMNZGHQUXZUHO-UUILKARUSA-N -1 1 555.024 6.125 50 0 KKAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl)c1ccco1 ZINC000097982707 554005218 /nfs/dbraw/zinc/00/52/18/554005218.db2.gz WINUOGNKURDZIN-UHFFFAOYSA-N -1 1 517.988 5.175 50 0 KKAAMM O=P1(Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000097983572 554009993 /nfs/dbraw/zinc/00/99/93/554009993.db2.gz YQLLEQFCMRPALJ-UHFFFAOYSA-N -1 1 548.988 7.858 50 0 KKAAMM O=C(NCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000097984247 554015079 /nfs/dbraw/zinc/01/50/79/554015079.db2.gz HVFNZFFAGFIUCA-UHFFFAOYSA-N -1 1 742.720 6.266 50 0 KKAAMM CCOc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)[N-]c5ccc(OC)cc5)cc4c3C)n2)cc1 ZINC000035462605 554056016 /nfs/dbraw/zinc/05/60/16/554056016.db2.gz HZLFABOTDJVARC-UHFFFAOYSA-N -1 1 505.552 5.666 50 0 KKAAMM Cc1cccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000035910501 554094268 /nfs/dbraw/zinc/09/42/68/554094268.db2.gz BEVGGBVLKCJYJF-QFIPXVFZSA-N -1 1 503.443 5.337 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000040484958 554287015 /nfs/dbraw/zinc/28/70/15/554287015.db2.gz XWGDYRGPZWFLEK-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000100429356 554390549 /nfs/dbraw/zinc/39/05/49/554390549.db2.gz WYVYRIZXXCHNNX-PRAQEBQASA-N -1 1 515.009 7.063 50 0 KKAAMM O=C(NCCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000059525239 554406152 /nfs/dbraw/zinc/40/61/52/554406152.db2.gz YFXKERQPRVTSGN-VWNXMTODSA-N -1 1 621.134 5.038 50 0 KKAAMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000059620860 554414283 /nfs/dbraw/zinc/41/42/83/554414283.db2.gz RSVDJWWFOQMPRF-UHFFFAOYSA-N -1 1 556.065 5.502 50 0 KKAAMM O=C(C[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000100617580 554432922 /nfs/dbraw/zinc/43/29/22/554432922.db2.gz WSIODVLCEUGFMJ-UUWRZZSWSA-N -1 1 596.683 6.477 50 0 KKAAMM CCc1cccc(C(C)C)c1NC(=O)C(O)=CC(=O)c1sc([N-]c2nnc(COc3ccccc3)o2)nc1C ZINC000100742380 554463464 /nfs/dbraw/zinc/46/34/64/554463464.db2.gz FXGOTEZEUYIIPN-UHFFFAOYSA-N -1 1 547.637 5.624 50 0 KKAAMM CCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100750454 554466243 /nfs/dbraw/zinc/46/62/43/554466243.db2.gz PHAOZBBTRVJRCY-UHFFFAOYSA-N -1 1 510.594 5.674 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101189402 554670230 /nfs/dbraw/zinc/67/02/30/554670230.db2.gz KWKZEBNITZMECM-OLUZHXLYSA-N -1 1 534.612 6.024 50 0 KKAAMM COc1cccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101209341 554678257 /nfs/dbraw/zinc/67/82/57/554678257.db2.gz SGSXNADEYJDAMK-UUQNIDNHSA-N -1 1 530.580 5.534 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c(C)c3c2)cc1 ZINC000101276066 554702979 /nfs/dbraw/zinc/70/29/79/554702979.db2.gz NZCFVQZYLQYHJE-UHFFFAOYSA-N -1 1 529.496 6.286 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289716 554707269 /nfs/dbraw/zinc/70/72/69/554707269.db2.gz YPOSZTJSFKBACK-RPBOFIJWSA-N -1 1 567.042 5.674 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289695 554707274 /nfs/dbraw/zinc/70/72/74/554707274.db2.gz FUDBPMBBZUCBEX-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289719 554707281 /nfs/dbraw/zinc/70/72/81/554707281.db2.gz YPOSZTJSFKBACK-LOSJGSFVSA-N -1 1 567.042 5.674 50 0 KKAAMM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000101289652 554707284 /nfs/dbraw/zinc/70/72/84/554707284.db2.gz SBKLYPZNLNQWBO-VWNXMTODSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101289892 554707433 /nfs/dbraw/zinc/70/74/33/554707433.db2.gz IMDRRPBWIPIFPL-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101289981 554707503 /nfs/dbraw/zinc/70/75/03/554707503.db2.gz MTASDKGEWMLXGR-DQEYMECFSA-N -1 1 551.043 5.974 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000101289952 554707535 /nfs/dbraw/zinc/70/75/35/554707535.db2.gz BFLVVILVZAIFCP-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101290953 554708324 /nfs/dbraw/zinc/70/83/24/554708324.db2.gz MFDPVEJGEFMURZ-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000101291694 554708570 /nfs/dbraw/zinc/70/85/70/554708570.db2.gz UABLZPMDTBAPGO-GOTSBHOMSA-N -1 1 541.435 6.310 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293425 554710013 /nfs/dbraw/zinc/71/00/13/554710013.db2.gz NIIOBXFOWNUIQE-DQEYMECFSA-N -1 1 550.587 5.160 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101294172 554710641 /nfs/dbraw/zinc/71/06/41/554710641.db2.gz YLHYPNWUGFATRM-BJKOFHAPSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101294147 554710665 /nfs/dbraw/zinc/71/06/65/554710665.db2.gz HFXGHFLGFDHHFA-RPWUZVMVSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101294804 554711528 /nfs/dbraw/zinc/71/15/28/554711528.db2.gz BZTQOTYLQTYJFR-IGKIAQTJSA-N -1 1 558.660 5.199 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000101295440 554711936 /nfs/dbraw/zinc/71/19/36/554711936.db2.gz VKMJUTBKLMBVBR-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000101295450 554711940 /nfs/dbraw/zinc/71/19/40/554711940.db2.gz VKMJUTBKLMBVBR-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(C)cc2)cc1Br ZINC000101361760 554743212 /nfs/dbraw/zinc/74/32/12/554743212.db2.gz KAWLNEQYPFJIAH-UHFFFAOYSA-N -1 1 545.389 6.959 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101397518 554758680 /nfs/dbraw/zinc/75/86/80/554758680.db2.gz KDPSBXQDVQVWFS-UVDDSOTQSA-N -1 1 554.599 5.897 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(Cl)cc2)cc1 ZINC000101425676 554768439 /nfs/dbraw/zinc/76/84/39/554768439.db2.gz POEXEDBEWWIUMB-UHFFFAOYSA-N -1 1 543.963 6.731 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2cccc(Cl)c2)cc1 ZINC000101616431 554806193 /nfs/dbraw/zinc/80/61/93/554806193.db2.gz OCKGWRXHUCZXGY-UHFFFAOYSA-N -1 1 591.067 7.139 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCCN3CCOCC3)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 ZINC000101762653 554836888 /nfs/dbraw/zinc/83/68/88/554836888.db2.gz QYKKJSQZZUTBRS-UHFFFAOYSA-N -1 1 602.801 5.467 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000101813420 554839887 /nfs/dbraw/zinc/83/98/87/554839887.db2.gz GAKVEZJQVWGFJS-UHFFFAOYSA-N -1 1 545.864 5.021 50 0 KKAAMM CC(C)N1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1=O ZINC000101883310 554846238 /nfs/dbraw/zinc/84/62/38/554846238.db2.gz FLTWMLOHSFENGG-UHFFFAOYSA-N -1 1 590.496 5.582 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969319 554854857 /nfs/dbraw/zinc/85/48/57/554854857.db2.gz JBEUIJZXIBZWPM-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969586 554855310 /nfs/dbraw/zinc/85/53/10/554855310.db2.gz ZNCUKPAKIUWSAC-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101969777 554855602 /nfs/dbraw/zinc/85/56/02/554855602.db2.gz ZBWBWUSFEDEYRN-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969731 554855657 /nfs/dbraw/zinc/85/56/57/554855657.db2.gz QIPYTPWFLKIGJO-UKILVPOCSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969896 554855876 /nfs/dbraw/zinc/85/58/76/554855876.db2.gz ZHAKMGNDXCJQMS-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969977 554856160 /nfs/dbraw/zinc/85/61/60/554856160.db2.gz SAEQXDNGNCNBBQ-RRPNLBNLSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101970151 554856428 /nfs/dbraw/zinc/85/64/28/554856428.db2.gz SCHWHVQLZZVHIK-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1F ZINC000101970244 554856804 /nfs/dbraw/zinc/85/68/04/554856804.db2.gz FYKNQZIKFAMLOG-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000101970363 554856952 /nfs/dbraw/zinc/85/69/52/554856952.db2.gz REYGPDAXXHNKNK-RPWUZVMVSA-N -1 1 539.007 6.105 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1F ZINC000101970489 554857153 /nfs/dbraw/zinc/85/71/53/554857153.db2.gz OSMYIMGJOPAEGX-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1F ZINC000101970497 554857222 /nfs/dbraw/zinc/85/72/22/554857222.db2.gz OSMYIMGJOPAEGX-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101970520 554857242 /nfs/dbraw/zinc/85/72/42/554857242.db2.gz ZTSOOVRLQIWOJI-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1F ZINC000101970492 554857316 /nfs/dbraw/zinc/85/73/16/554857316.db2.gz OSMYIMGJOPAEGX-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000101970632 554857675 /nfs/dbraw/zinc/85/76/75/554857675.db2.gz NNJSOKDIPMQVES-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101970595 554857725 /nfs/dbraw/zinc/85/77/25/554857725.db2.gz CERRIMQBTNOZEG-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101970733 554857943 /nfs/dbraw/zinc/85/79/43/554857943.db2.gz VVDJODOZUYQODX-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000101970760 554857992 /nfs/dbraw/zinc/85/79/92/554857992.db2.gz HMLHMQVCMHXYKQ-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000101970801 554857999 /nfs/dbraw/zinc/85/79/99/554857999.db2.gz YXGHMHRVTDYHRF-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970930 554858303 /nfs/dbraw/zinc/85/83/03/554858303.db2.gz JIGNNDKZQCLNME-AOYPEHQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000101971012 554858469 /nfs/dbraw/zinc/85/84/69/554858469.db2.gz YJYULRZBMUKXJS-AHWVRZQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000101971039 554858560 /nfs/dbraw/zinc/85/85/60/554858560.db2.gz IMNJQXNXSFMACN-AOYPEHQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000101971019 554858660 /nfs/dbraw/zinc/85/86/60/554858660.db2.gz YJYULRZBMUKXJS-RSXGOPAZSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000101971044 554858665 /nfs/dbraw/zinc/85/86/65/554858665.db2.gz IMNJQXNXSFMACN-RSXGOPAZSA-N -1 1 546.624 5.329 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971256 554858988 /nfs/dbraw/zinc/85/89/88/554858988.db2.gz JDONOMXDAMBQBX-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101971516 554859278 /nfs/dbraw/zinc/85/92/78/554859278.db2.gz DFPVCQGIBMIMJT-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101972115 554860020 /nfs/dbraw/zinc/86/00/20/554860020.db2.gz NBLVUHBTXJKVQZ-UIOOFZCWSA-N -1 1 531.081 6.389 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972272 554860102 /nfs/dbraw/zinc/86/01/02/554860102.db2.gz OXVVRSQYHCBNEG-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972787 554861250 /nfs/dbraw/zinc/86/12/50/554861250.db2.gz CBZNJFSLALCPLU-BJKOFHAPSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972806 554861317 /nfs/dbraw/zinc/86/13/17/554861317.db2.gz ZVXCKPAFIDYZPR-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000101973124 554861616 /nfs/dbraw/zinc/86/16/16/554861616.db2.gz VOFFOHVIBOPBTJ-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(OC)c3)nc2[O-])c1 ZINC000101973172 554861699 /nfs/dbraw/zinc/86/16/99/554861699.db2.gz AYFQFXIAUFCWPR-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973214 554862028 /nfs/dbraw/zinc/86/20/28/554862028.db2.gz IETPDRQVNPKEQU-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000101973324 554862314 /nfs/dbraw/zinc/86/23/14/554862314.db2.gz YXMOOYHEBCYXTQ-UIOOFZCWSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc([C@@H]2CC(c3cccc(OC)c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101973558 554862654 /nfs/dbraw/zinc/86/26/54/554862654.db2.gz VCYODCHUTWZXRL-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM CC(C)CN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1=O ZINC000101977412 554863137 /nfs/dbraw/zinc/86/31/37/554863137.db2.gz QNPCWGLNPOPBOM-UHFFFAOYSA-N -1 1 567.708 6.191 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000101977402 554863162 /nfs/dbraw/zinc/86/31/62/554863162.db2.gz UZGVRVGOSYQJLV-UHFFFAOYSA-N -1 1 608.141 6.842 50 0 KKAAMM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(Cl)cc5)cc4)cn3)n2)cc1 ZINC000102278328 554906529 /nfs/dbraw/zinc/90/65/29/554906529.db2.gz VOVHXKKCNINHBO-UHFFFAOYSA-N -1 1 521.986 5.111 50 0 KKAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)c(Cl)c5)cc4)cn3)n2)cc1 ZINC000102278436 554906553 /nfs/dbraw/zinc/90/65/53/554906553.db2.gz BDKIIZKVDSEVPQ-UHFFFAOYSA-N -1 1 523.977 5.550 50 0 KKAAMM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)c(Cl)c5)cc4)cn3)n2)cc1 ZINC000102278320 554906615 /nfs/dbraw/zinc/90/66/15/554906615.db2.gz SQRJXDJWXMNLAR-UHFFFAOYSA-N -1 1 536.013 5.420 50 0 KKAAMM COc1cccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)c1OC ZINC000102412639 554923881 /nfs/dbraw/zinc/92/38/81/554923881.db2.gz UMFTTWBYXLOBHH-XMMPIXPASA-N -1 1 626.554 7.212 50 0 KKAAMM CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000102653825 554997346 /nfs/dbraw/zinc/99/73/46/554997346.db2.gz HUFAQLXEVOMJPA-XIFFEERXSA-N -1 1 603.115 7.975 50 0 KKAAMM CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000102653823 554997452 /nfs/dbraw/zinc/99/74/52/554997452.db2.gz HUFAQLXEVOMJPA-MGBGTMOVSA-N -1 1 603.115 7.975 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000102739072 555027702 /nfs/dbraw/zinc/02/77/02/555027702.db2.gz XCHPYQVONCRMQI-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(NC(=O)CCC(=O)NCCc4ccc(C)cc4)n3)c(=O)oc2cc1[O-] ZINC000102742505 555032031 /nfs/dbraw/zinc/03/20/31/555032031.db2.gz GBUSFHDIEMTLOI-UHFFFAOYSA-N -1 1 561.704 6.131 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102768153 555055864 /nfs/dbraw/zinc/05/58/64/555055864.db2.gz PFQZZQCRQNQZAQ-MPFGFTFXSA-N -1 1 514.622 5.932 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(Cc2cccc(C(F)(F)F)c2)C(=O)[C@H](C)O3)cc1F ZINC000102774590 555062468 /nfs/dbraw/zinc/06/24/68/555062468.db2.gz AXZDKLZRKLPWFH-INIZCTEOSA-N -1 1 522.520 5.263 50 0 KKAAMM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1S(=O)(=O)c1ccccc1 ZINC000102779949 555065396 /nfs/dbraw/zinc/06/53/96/555065396.db2.gz UAMXFSFCGOBEPQ-MHZLTWQESA-N -1 1 547.658 5.036 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810744 555074761 /nfs/dbraw/zinc/07/47/61/555074761.db2.gz LFVFZLGGRORNQB-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1cccc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)c1OC ZINC000102867717 555097048 /nfs/dbraw/zinc/09/70/48/555097048.db2.gz LOEUUZYOQDIWCT-XMMPIXPASA-N -1 1 559.450 6.481 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC ZINC000102897790 555137822 /nfs/dbraw/zinc/13/78/22/555137822.db2.gz DAESTBZRTOZUOE-RUZDIDTESA-N -1 1 573.477 6.523 50 0 KKAAMM COc1ccccc1NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000102925494 555149742 /nfs/dbraw/zinc/14/97/42/555149742.db2.gz MIWHHAOVVINECZ-UHFFFAOYSA-N -1 1 602.119 5.699 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1OCCOc1ccccc1 ZINC000102932297 555159724 /nfs/dbraw/zinc/15/97/24/555159724.db2.gz IHLOTAUEFJFQOQ-UHFFFAOYSA-N -1 1 537.037 6.159 50 0 KKAAMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(c1c(C)[nH]n(-c2cccc(Cl)c2)c1=O)c1cccc(C(F)(F)F)c1 ZINC000102948762 555172135 /nfs/dbraw/zinc/17/21/35/555172135.db2.gz VXKBSAKNGBXPCO-UHFFFAOYSA-N -1 1 573.402 7.592 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2Cl)c1 ZINC000102969302 555181156 /nfs/dbraw/zinc/18/11/56/555181156.db2.gz IYEKSXDCKCIEQZ-UHFFFAOYSA-N -1 1 586.519 5.086 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc1)C[C@H](C)CC2 ZINC000102975617 555185904 /nfs/dbraw/zinc/18/59/04/555185904.db2.gz IJHHVIQYKBAHQQ-HZPDHXFCSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000102994451 555194780 /nfs/dbraw/zinc/19/47/80/555194780.db2.gz NIDCEOZQBDEIMA-UHFFFAOYSA-N -1 1 548.418 6.310 50 0 KKAAMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000102996192 555195755 /nfs/dbraw/zinc/19/57/55/555195755.db2.gz TVGWLEFCOHUBKB-UHFFFAOYSA-N -1 1 629.160 5.455 50 0 KKAAMM COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)CC1 ZINC000103002293 555201855 /nfs/dbraw/zinc/20/18/55/555201855.db2.gz YUUGXGKLBIPVNI-UHFFFAOYSA-N -1 1 553.990 5.131 50 0 KKAAMM Cc1c(NC(=O)c2cccc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000103002524 555201885 /nfs/dbraw/zinc/20/18/85/555201885.db2.gz OYYFSLPUJNYTGK-UHFFFAOYSA-N -1 1 617.634 5.068 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000103049769 555231990 /nfs/dbraw/zinc/23/19/90/555231990.db2.gz VOBXVKBQWAFEDS-UHFFFAOYSA-N -1 1 545.627 6.656 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(OC(F)F)c3)ccc2N2CCCCC2)cc1 ZINC000103050158 555232430 /nfs/dbraw/zinc/23/24/30/555232430.db2.gz PLDNWWHBZLXCGK-UHFFFAOYSA-N -1 1 531.581 5.340 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(C(C)C)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1=O ZINC000103396639 555382106 /nfs/dbraw/zinc/38/21/06/555382106.db2.gz OLRKGTXRBHQZRP-UHFFFAOYSA-N -1 1 583.707 5.571 50 0 KKAAMM COc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000103424032 555404080 /nfs/dbraw/zinc/40/40/80/555404080.db2.gz DEVKHJWPXVNBMN-UHFFFAOYSA-N -1 1 603.697 6.241 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103425996 555406976 /nfs/dbraw/zinc/40/69/76/555406976.db2.gz NQLPNPRQOYPTGB-UHFFFAOYSA-N -1 1 541.654 5.785 50 0 KKAAMM CC(C)(C)c1ccc(Cn2c(C(=O)NCc3ccco3)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000103428329 555410721 /nfs/dbraw/zinc/41/07/21/555410721.db2.gz YFZGCKMCUFLRNQ-UHFFFAOYSA-N -1 1 597.781 7.608 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(SC3=C(Nc4ccc(F)cc4)C(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000103435362 555417734 /nfs/dbraw/zinc/41/77/34/555417734.db2.gz LDRRWFBEFGYVRY-UHFFFAOYSA-N -1 1 559.644 5.924 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(SC3=C(Nc4ccc(Br)cc4)C(=O)N(CC(C)C)C3=O)c2)cc1 ZINC000103439754 555420130 /nfs/dbraw/zinc/42/01/30/555420130.db2.gz ZNCKKQLCTOALGK-UHFFFAOYSA-N -1 1 600.560 5.999 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3O[C@H]4CCCC[C@@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000104160769 571375643 /nfs/dbraw/zinc/37/56/43/571375643.db2.gz SPSJFOSHBLSKGG-SYZUXVNWSA-N -1 1 539.650 5.668 50 0 KKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)c1 ZINC000110532204 571431437 /nfs/dbraw/zinc/43/14/37/571431437.db2.gz QWKQSNVZNSAUIA-PUZWTLIVSA-N -1 1 501.645 5.265 50 0 KKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000137817650 571450631 /nfs/dbraw/zinc/45/06/31/571450631.db2.gz ZNEGYHPAXNBYEZ-RBZQAINGSA-N -1 1 502.368 5.290 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccccc2Br)cc1 ZINC000150386568 571469423 /nfs/dbraw/zinc/46/94/23/571469423.db2.gz QZXNXFZPIOBFPI-UHFFFAOYSA-N -1 1 635.518 7.248 50 0 KKAAMM CCOc1cc(Br)cc(C(c2c(C)[n-]n(-c3ccc4ccccc4c3)c2=O)c2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c1O ZINC000150391287 571473498 /nfs/dbraw/zinc/47/34/98/571473498.db2.gz COIZZROWXIAUNC-UHFFFAOYSA-N -1 1 675.583 8.439 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C1=O ZINC000150403988 571478955 /nfs/dbraw/zinc/47/89/55/571478955.db2.gz JETKHYSCTJOAIT-UHFFFAOYSA-N -1 1 636.977 5.724 50 0 KKAAMM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(N3N=C(N4CCCC4)C(=S4N=N[N-]N4c4ccccc4)C3=O)cc2)c(C(C)(C)CC)c1 ZINC000150407680 571480187 /nfs/dbraw/zinc/48/01/87/571480187.db2.gz JDXYEFSDSSLJAF-NUNVOQDLSA-N -1 1 710.949 8.503 50 0 KKAAMM Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c2ccccc2)cc1 ZINC000150409842 571482295 /nfs/dbraw/zinc/48/22/95/571482295.db2.gz SUJMJYHVFUAPRG-UHFFFAOYSA-N -1 1 669.225 5.510 50 0 KKAAMM COc1ccccc1N1CCN(C(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3ccc(Br)cc3)c2)CC1 ZINC000150413917 571484923 /nfs/dbraw/zinc/48/49/23/571484923.db2.gz ZVHPMOMYNVBTTM-RSXGOPAZSA-N -1 1 718.674 5.006 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)c1 ZINC000150420448 571487374 /nfs/dbraw/zinc/48/73/74/571487374.db2.gz AKAVKCBPIUAKCZ-UHFFFAOYSA-N -1 1 698.028 7.760 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)c1 ZINC000150422131 571488095 /nfs/dbraw/zinc/48/80/95/571488095.db2.gz ZXWAAYOAFYIAAK-UHFFFAOYSA-N -1 1 691.615 5.693 50 0 KKAAMM CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccc(SC(F)F)cc4)c3)cc2)cc1 ZINC000150437096 571496681 /nfs/dbraw/zinc/49/66/81/571496681.db2.gz WOJSCICDQLMIJG-UHFFFAOYSA-N -1 1 691.800 6.352 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1N1CCCC1 ZINC000150451261 571502989 /nfs/dbraw/zinc/50/29/89/571502989.db2.gz XTOLWOBAVTXKNC-UHFFFAOYSA-N -1 1 675.616 6.456 50 0 KKAAMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cc(Br)ccc1OC(F)F ZINC000150480021 571511945 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COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OCC(C)C)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263586813 572125253 /nfs/dbraw/zinc/12/52/53/572125253.db2.gz YGSBIOIDYATHHJ-FQEVSTJZSA-N -1 1 516.546 5.659 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCC(C)C)cc2)cc1OC ZINC000263586813 572125257 /nfs/dbraw/zinc/12/52/57/572125257.db2.gz YGSBIOIDYATHHJ-FQEVSTJZSA-N -1 1 516.546 5.659 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000263586910 572125814 /nfs/dbraw/zinc/12/58/14/572125814.db2.gz ZLTOBIHKCIBKTR-JOCHJYFZSA-N -1 1 580.589 6.211 50 0 KKAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@@H](Cc2ccccc2)CCN31 ZINC000227060527 572147984 /nfs/dbraw/zinc/14/79/84/572147984.db2.gz KGHXEFUYJKAMSZ-CDKXIZBOSA-N -1 1 544.655 5.192 50 0 KKAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@@H](Cc2ccccc2)CCN31 ZINC000227060533 572148163 /nfs/dbraw/zinc/14/81/63/572148163.db2.gz KGHXEFUYJKAMSZ-QHYYJPCWSA-N -1 1 544.655 5.192 50 0 KKAAMM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245240193 572213765 /nfs/dbraw/zinc/21/37/65/572213765.db2.gz MWMJSFKBKYSSKJ-OVDFTCDZSA-N -1 1 520.972 5.789 50 0 KKAAMM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240300 572213812 /nfs/dbraw/zinc/21/38/12/572213812.db2.gz QOMVAARPVKCEBK-BYBRNZAOSA-N -1 1 520.972 5.789 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3O[C@@H]4CCCC[C@H]4c4c(OC)ccc(OC)c43)c2)cc1OC ZINC000245240444 572214082 /nfs/dbraw/zinc/21/40/82/572214082.db2.gz SPSJFOSHBLSKGG-QLVXXPONSA-N -1 1 539.650 5.668 50 0 KKAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@H](Cc2ccccc2)CCN31 ZINC000245326452 572232591 /nfs/dbraw/zinc/23/25/91/572232591.db2.gz KGHXEFUYJKAMSZ-UUEDIVQHSA-N -1 1 544.655 5.192 50 0 KKAAMM CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253399832 572284891 /nfs/dbraw/zinc/28/48/91/572284891.db2.gz DIKDDPYDNAZBGH-SFHVURJKSA-N -1 1 512.949 5.874 50 0 KKAAMM CN(C)c1nc2ccccc2cc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc-3c21 ZINC000253399832 572284892 /nfs/dbraw/zinc/28/48/92/572284892.db2.gz DIKDDPYDNAZBGH-SFHVURJKSA-N -1 1 512.949 5.874 50 0 KKAAMM Cc1cc(C)c2nc3c(cc2c1)[C@@H](CC(=O)N1CCCCC1)c1c(cc([O-])c2c(=O)cc(-c4ccccc4)oc21)O3 ZINC000253414549 572288967 /nfs/dbraw/zinc/28/89/67/572288967.db2.gz XTNXTQUMRXKDQM-HSZRJFAPSA-N -1 1 546.623 6.971 50 0 KKAAMM Cc1cc(C)c2nc3c(cc2c1)[C@@H](CC(=O)N1CCCCC1)c1c(cc(=O)c2c([O-])cc(-c4ccccc4)oc1-2)O3 ZINC000253414549 572288969 /nfs/dbraw/zinc/28/89/69/572288969.db2.gz XTNXTQUMRXKDQM-HSZRJFAPSA-N -1 1 546.623 6.971 50 0 KKAAMM COC(=O)CN[C@H](c1ccccc1Cl)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000253430680 572289310 /nfs/dbraw/zinc/28/93/10/572289310.db2.gz XMRSLDMQIDOWNT-HSZRJFAPSA-N -1 1 537.863 5.064 50 0 KKAAMM COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000253430688 572289339 /nfs/dbraw/zinc/28/93/39/572289339.db2.gz XMRSLDMQIDOWNT-QHCPKHFHSA-N -1 1 537.863 5.064 50 0 KKAAMM COc1ccc(-n2c(/C=C/c3cc(Br)cc(Br)c3[O-])nc3ccccc3c2=O)cc1 ZINC000100505791 1069759755 /nfs/dbraw/zinc/75/97/55/1069759755.db2.gz KHJPQRRFXZCGNJ-IZZDOVSWSA-N -1 1 528.200 5.795 50 0 KKAAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000524732117 1069835924 /nfs/dbraw/zinc/83/59/24/1069835924.db2.gz YEMFGGFURHFNPF-XMMPIXPASA-N -1 1 576.601 6.172 50 0 KKAAMM C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000245267029 1071161831 /nfs/dbraw/zinc/16/18/31/1071161831.db2.gz LFQUEZXNGIVXPA-XHUWLJINSA-N -1 1 665.042 9.130 50 0 KKAAMM Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3c4ccccc4ccc3N(C)C(=O)[O-])o2)cc1 ZINC000825181549 1071286711 /nfs/dbraw/zinc/28/67/11/1071286711.db2.gz JMMJAADRNQZFDN-UHFFFAOYSA-N -1 1 514.563 5.780 50 0 KKAAMM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750385 1071300659 /nfs/dbraw/zinc/30/06/59/1071300659.db2.gz YHQWZCWXKVZSGU-XRHLQHRESA-N -1 1 501.535 5.412 50 0 KKAAMM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750385 1071300665 /nfs/dbraw/zinc/30/06/65/1071300665.db2.gz YHQWZCWXKVZSGU-XRHLQHRESA-N -1 1 501.535 5.412 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3cc(OC)c(OC)c(OC)c3)ccc2N2CCCCC2)cc1 ZINC000103050142 1071328867 /nfs/dbraw/zinc/32/88/67/1071328867.db2.gz ZDUMTDFUMAIKIT-NVNXTCNLSA-N -1 1 581.691 5.164 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000158407259 1072828985 /nfs/dbraw/zinc/82/89/85/1072828985.db2.gz NWBBYWMASHTQTC-NHDPSOOVSA-N -1 1 679.817 6.079 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000097983926 1072839600 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COc1cc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000254634489 1072869326 /nfs/dbraw/zinc/86/93/26/1072869326.db2.gz VJLMPBBTJRECEW-UHFFFAOYSA-N -1 1 567.023 6.083 50 0 KKAAMM O=[N+]([O-])c1ccc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254701241 1072871012 /nfs/dbraw/zinc/87/10/12/1072871012.db2.gz OKPVAPBLFTYVNK-UHFFFAOYSA-N -1 1 510.315 5.057 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=Nc3ccc(Cl)cc3)oc2cc1[O-] ZINC000254835293 1072883206 /nfs/dbraw/zinc/88/32/06/1072883206.db2.gz GLXJGYAQWITPCL-UHFFFAOYSA-N -1 1 545.104 8.946 50 0 KKAAMM O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254848535 1072885085 /nfs/dbraw/zinc/88/50/85/1072885085.db2.gz GZKVYXPAIDEELP-UHFFFAOYSA-N -1 1 581.879 5.748 50 0 KKAAMM Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000254867034 1072886440 /nfs/dbraw/zinc/88/64/40/1072886440.db2.gz ZQIGEENSNRWBHI-UHFFFAOYSA-N -1 1 558.447 6.556 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(N=NC(C(=O)Nc3cccnc3)C(=O)c3ccccc3)c2)cc1Cl ZINC000254897371 1072888814 /nfs/dbraw/zinc/88/88/14/1072888814.db2.gz LUFNHMNHJWTXTI-UHFFFAOYSA-N -1 1 582.469 5.787 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C/c1ccc([N+](=O)[O-])o1 ZINC000150500010 1072905751 /nfs/dbraw/zinc/90/57/51/1072905751.db2.gz JTUXTPWYZXWOIB-MNOKRRQUSA-N -1 1 630.445 5.580 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000150499989 1072905891 /nfs/dbraw/zinc/90/58/91/1072905891.db2.gz BIQMYXFCXQVFRO-CSTQJKFWSA-N -1 1 683.336 6.629 50 0 KKAAMM O=C1c2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc2-c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc21 ZINC000000626101 551503782 /nfs/dbraw/zinc/50/37/82/551503782.db2.gz HYMUDSHNEUEORC-UHFFFAOYSA-N -1 1 590.682 6.806 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1ccc(Br)cc1 ZINC000000651414 551512841 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551660912 /nfs/dbraw/zinc/66/09/12/551660912.db2.gz HGBUECSWUMNRDY-UHFFFAOYSA-N -1 1 554.715 5.952 50 0 KKAAMM COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc(CSc2ccc(C)cc2)cc(=O)[n-]1 ZINC000001838013 551712880 /nfs/dbraw/zinc/71/28/80/551712880.db2.gz UGYQHPDEYUMNAX-UHFFFAOYSA-N -1 1 599.850 7.685 50 0 KKAAMM O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)ccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002058806 551740935 /nfs/dbraw/zinc/74/09/35/551740935.db2.gz CLYDMFNODINRQV-LMHXZZLNSA-N -1 1 559.641 5.455 50 0 KKAAMM CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(I)ccc4Cl)cc3[O-])nc2c1 ZINC000002145374 551776016 /nfs/dbraw/zinc/77/60/16/551776016.db2.gz RARWWACAVVULQW-UHFFFAOYSA-N -1 1 591.858 6.709 50 0 KKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])n1 ZINC000002208336 551793598 /nfs/dbraw/zinc/79/35/98/551793598.db2.gz GCAHEJFKQXKSRU-UHFFFAOYSA-N -1 1 500.755 6.232 50 0 KKAAMM O=S(=O)([N-]c1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000002656391 552149167 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ZINC000006141953 552542986 /nfs/dbraw/zinc/54/29/86/552542986.db2.gz ZFHWHBFRIFIWTC-MRXNPFEDSA-N -1 1 521.422 5.595 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)c1 ZINC000006144252 552545835 /nfs/dbraw/zinc/54/58/35/552545835.db2.gz ZVYJFTPGXDXYKL-CQSZACIVSA-N -1 1 541.840 5.940 50 0 KKAAMM CCn1c2ccccc2c2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)c3)ccc21 ZINC000006146355 552548044 /nfs/dbraw/zinc/54/80/44/552548044.db2.gz LWYYBRPMQFWUDU-UHFFFAOYSA-N -1 1 505.546 6.146 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)ccc2C)cc1 ZINC000006153469 552552176 /nfs/dbraw/zinc/55/21/76/552552176.db2.gz JSTSNSQLLACWOS-DOTOQJQBSA-N -1 1 567.689 5.145 50 0 KKAAMM CC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc(Br)cc4)c4ccccc34)c2C1 ZINC000006250910 552575499 /nfs/dbraw/zinc/57/54/99/552575499.db2.gz YHGUZLIOZIJMGX-MRXNPFEDSA-N -1 1 512.469 7.300 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000006289641 552578871 /nfs/dbraw/zinc/57/88/71/552578871.db2.gz IFTAZSLIVBBZCA-UHFFFAOYSA-N -1 1 566.035 5.663 50 0 KKAAMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000008384363 552989263 /nfs/dbraw/zinc/98/92/63/552989263.db2.gz OBRXAGBYAFATJZ-UHFFFAOYSA-N -1 1 631.732 5.492 50 0 KKAAMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000008384464 552989391 /nfs/dbraw/zinc/98/93/91/552989391.db2.gz NKENLVBIKATUGG-UHFFFAOYSA-N -1 1 677.723 5.974 50 0 KKAAMM Cc1ccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)cc3)cc2)S(C)(=O)=O)cc1C ZINC000008384768 552989850 /nfs/dbraw/zinc/98/98/50/552989850.db2.gz IKNCIJQTKRZJDV-UHFFFAOYSA-N -1 1 631.698 6.342 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3N=C(c4c(=O)[nH]c5ccc(Br)cc5c4-c4ccccc4)C[C@@H]3c3ccco3)cc2)cc1 ZINC000008435294 553030122 /nfs/dbraw/zinc/03/01/22/553030122.db2.gz TZSXCMWODASLCJ-WJOKGBTCSA-N -1 1 707.606 7.651 50 0 KKAAMM [O-]c1c(I)cc(I)cc1C1c2sc3ccccc3c2Oc2c3ccccc3sc21 ZINC000008442997 553045093 /nfs/dbraw/zinc/04/50/93/553045093.db2.gz IEHGCLSOBBVROH-UHFFFAOYSA-N -1 1 638.289 8.317 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3ccccc3)[C@H](N([O-])C(=O)Nc3ccccc3)C2(C)C)cc1OC ZINC000008926071 553190961 /nfs/dbraw/zinc/19/09/61/553190961.db2.gz OFCBQHILWWKZHF-RUZDIDTESA-N -1 1 504.587 5.217 50 0 KKAAMM COC(=O)CCCCN1C(=O)N(c2ccc(Cl)cc2)[C@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008934146 553192622 /nfs/dbraw/zinc/19/26/22/553192622.db2.gz XUKXOGWPKOKYGT-OAQYLSRUSA-N -1 1 523.417 5.607 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 ZINC000008951483 553193753 /nfs/dbraw/zinc/19/37/53/553193753.db2.gz KYKPYMZDXHYRSH-HSZRJFAPSA-N -1 1 513.425 6.506 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2ccccc2F)s1 ZINC000009368299 553249616 /nfs/dbraw/zinc/24/96/16/553249616.db2.gz MGWDCIGONUIBAF-UHFFFAOYSA-N -1 1 503.968 5.277 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2ccc(F)cc2)s1 ZINC000009368346 553249630 /nfs/dbraw/zinc/24/96/30/553249630.db2.gz CIROAXJJHJVHFC-UHFFFAOYSA-N -1 1 503.968 5.277 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432198 553261599 /nfs/dbraw/zinc/26/15/99/553261599.db2.gz YZGWSZOWHJVTGX-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432180 553261617 /nfs/dbraw/zinc/26/16/17/553261617.db2.gz PBQZUEMBZMLVIP-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432196 553261666 /nfs/dbraw/zinc/26/16/66/553261666.db2.gz YZGWSZOWHJVTGX-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432243 553261935 /nfs/dbraw/zinc/26/19/35/553261935.db2.gz AYVSUAMNGBHYJI-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432256 553262094 /nfs/dbraw/zinc/26/20/94/553262094.db2.gz INMHOLSOUSTYBB-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000009432292 553262490 /nfs/dbraw/zinc/26/24/90/553262490.db2.gz FGWWFKDRHWCBSO-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1F ZINC000009432306 553262498 /nfs/dbraw/zinc/26/24/98/553262498.db2.gz GAUNNRZYPQPBMW-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2NCc2ccc(F)cc2)c1 ZINC000009490101 553273583 /nfs/dbraw/zinc/27/35/83/553273583.db2.gz QEGGIXTUSAPIQF-PMACEKPBSA-N -1 1 525.646 5.365 50 0 KKAAMM O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000009526092 553277096 /nfs/dbraw/zinc/27/70/96/553277096.db2.gz JAAMWWKKWWZHEU-UHFFFAOYSA-N -1 1 513.659 6.432 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C)CC4)n3)c(=O)oc2cc1[O-] ZINC000009590280 553282983 /nfs/dbraw/zinc/28/29/83/553282983.db2.gz JWXOXGLSCVSGID-UHFFFAOYSA-N -1 1 525.671 5.722 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009597270 553283534 /nfs/dbraw/zinc/28/35/34/553283534.db2.gz FLCLEAFVYWEHHM-KAYWLYCHSA-N -1 1 526.662 5.880 50 0 KKAAMM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Br ZINC000009600857 553286246 /nfs/dbraw/zinc/28/62/46/553286246.db2.gz RUMFMSNICAVPCY-UHFFFAOYSA-N -1 1 510.207 5.265 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4cccc(Cl)c4)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000011866327 553346813 /nfs/dbraw/zinc/34/68/13/553346813.db2.gz DSSNVAVBPIXTTB-UHFFFAOYSA-N -1 1 501.892 6.358 50 0 KKAAMM COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1 ZINC000012549114 553392520 /nfs/dbraw/zinc/39/25/20/553392520.db2.gz BQTCQNROFPTLBP-UHFFFAOYSA-N -1 1 519.545 5.367 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2N2CCCCC2)cc1 ZINC000012564341 553396220 /nfs/dbraw/zinc/39/62/20/553396220.db2.gz MJXVSINOOPLHPR-UHFFFAOYSA-N -1 1 500.020 5.392 50 0 KKAAMM Cc1cc(C(=O)COC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)c(C)n1Cc1ccco1 ZINC000012567278 553397555 /nfs/dbraw/zinc/39/75/55/553397555.db2.gz YAMLPUWSHXUHHG-UHFFFAOYSA-N -1 1 520.607 5.204 50 0 KKAAMM Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000012578978 553398920 /nfs/dbraw/zinc/39/89/20/553398920.db2.gz OMRHRVZHISMHET-UHFFFAOYSA-N -1 1 500.951 6.155 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])cc1 ZINC000012656791 553410677 /nfs/dbraw/zinc/41/06/77/553410677.db2.gz UJGHYROWJGEEOA-UHFFFAOYSA-N -1 1 518.060 5.271 50 0 KKAAMM COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2Cl)cc1OC ZINC000013113099 553448593 /nfs/dbraw/zinc/44/85/93/553448593.db2.gz ZOGFKXIPMXMTEW-UHFFFAOYSA-N -1 1 523.438 5.126 50 0 KKAAMM COc1ccc(OC)c(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000013936180 553495986 /nfs/dbraw/zinc/49/59/86/553495986.db2.gz CDHOCGHTYJOBIH-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccs3)ccc2C)cc1Br ZINC000014361196 553514301 /nfs/dbraw/zinc/51/43/01/553514301.db2.gz XAKDSLDQYGBGGD-UHFFFAOYSA-N -1 1 509.447 5.200 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(OC)cc2)n1 ZINC000015981041 553548659 /nfs/dbraw/zinc/54/86/59/553548659.db2.gz YQDFVNNOKXNVIF-AREMUKBSSA-N -1 1 512.635 5.354 50 0 KKAAMM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016001243 553549883 /nfs/dbraw/zinc/54/98/83/553549883.db2.gz QOMVAARPVKCEBK-OVDFTCDZSA-N -1 1 520.972 5.789 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000020135570 553593576 /nfs/dbraw/zinc/59/35/76/553593576.db2.gz OSGHVCHTVZHCBR-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000070664578 553594743 /nfs/dbraw/zinc/59/47/43/553594743.db2.gz FHPYTWOHARJNNR-NDEPHWFRSA-N -1 1 607.659 6.786 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000070664578 553594746 /nfs/dbraw/zinc/59/47/46/553594746.db2.gz FHPYTWOHARJNNR-NDEPHWFRSA-N -1 1 607.659 6.786 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4Cl)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000071386384 553635668 /nfs/dbraw/zinc/63/56/68/553635668.db2.gz NAXDGNUAFTZODA-UHFFFAOYSA-N -1 1 549.908 6.506 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4c(F)cccc4Cl)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000071386400 553635770 /nfs/dbraw/zinc/63/57/70/553635770.db2.gz KLMAPTBFFDYOAM-UHFFFAOYSA-N -1 1 534.893 6.924 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490554 553660696 /nfs/dbraw/zinc/66/06/96/553660696.db2.gz VOKGPVXZAKAKLS-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490542 553660720 /nfs/dbraw/zinc/66/07/20/553660720.db2.gz SEPNIRJRMNYOTF-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490600 553661116 /nfs/dbraw/zinc/66/11/16/553661116.db2.gz JWFIYBHWKDMLJS-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1 ZINC000020490658 553661516 /nfs/dbraw/zinc/66/15/16/553661516.db2.gz YUAPJFXHQIUYKS-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490721 553661582 /nfs/dbraw/zinc/66/15/82/553661582.db2.gz ZYNFNFCPACVEDF-UPVQGACJSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490767 553661950 /nfs/dbraw/zinc/66/19/50/553661950.db2.gz JPTWZPRSYHWESN-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1 ZINC000020490747 553662051 /nfs/dbraw/zinc/66/20/51/553662051.db2.gz JAFWQXFPRRPQSM-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490769 553662056 /nfs/dbraw/zinc/66/20/56/553662056.db2.gz JPTWZPRSYHWESN-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490793 553662359 /nfs/dbraw/zinc/66/23/59/553662359.db2.gz ADUMCNZFXDWZJV-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000020490781 553662464 /nfs/dbraw/zinc/66/24/64/553662464.db2.gz NHCCOGMQPXENIB-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490897 553662749 /nfs/dbraw/zinc/66/27/49/553662749.db2.gz JMMMNCCXCNTVFD-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490952 553663255 /nfs/dbraw/zinc/66/32/55/553663255.db2.gz SLMAMSLHSSUSTE-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020491016 553663563 /nfs/dbraw/zinc/66/35/63/553663563.db2.gz MDKGUXZPXLFGRR-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491010 553663629 /nfs/dbraw/zinc/66/36/29/553663629.db2.gz YBFNYKWBWBMTPN-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020491035 553663994 /nfs/dbraw/zinc/66/39/94/553663994.db2.gz UFTDCDJMMCDHKB-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491165 553664448 /nfs/dbraw/zinc/66/44/48/553664448.db2.gz VPFYQGZVLJLHBK-FTJBHMTQSA-N -1 1 512.635 5.572 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491216 553664461 /nfs/dbraw/zinc/66/44/61/553664461.db2.gz GAOBVNDDBUTYPI-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020491392 553665146 /nfs/dbraw/zinc/66/51/46/553665146.db2.gz NDCYAVFIWPMLDO-CLJLJLNGSA-N -1 1 512.635 5.572 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491402 553665157 /nfs/dbraw/zinc/66/51/57/553665157.db2.gz CXVIXKPUQSBGAD-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491326 553665193 /nfs/dbraw/zinc/66/51/93/553665193.db2.gz CGYCADBPENOALF-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491344 553665225 /nfs/dbraw/zinc/66/52/25/553665225.db2.gz FMRYOJNSRJFZRC-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878784 553689707 /nfs/dbraw/zinc/68/97/07/553689707.db2.gz WTQALJJLUVNQLC-OAQYLSRUSA-N -1 1 537.568 5.586 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc3ccccc3n(CC(C)C)c2=O)cc1 ZINC000085878784 553689711 /nfs/dbraw/zinc/68/97/11/553689711.db2.gz WTQALJJLUVNQLC-OAQYLSRUSA-N -1 1 537.568 5.586 50 0 biogenic KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020903547 553701289 /nfs/dbraw/zinc/70/12/89/553701289.db2.gz DMPDWJBYQOLIJC-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020903623 553701514 /nfs/dbraw/zinc/70/15/14/553701514.db2.gz OLFOAYFMZKDEGJ-VWNXMTODSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903555 553701564 /nfs/dbraw/zinc/70/15/64/553701564.db2.gz ADNYJDXIDPZVNO-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000020903668 553701799 /nfs/dbraw/zinc/70/17/99/553701799.db2.gz ODFYAKRZXCGTSE-PKTZIBPZSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000020903682 553701954 /nfs/dbraw/zinc/70/19/54/553701954.db2.gz GAQGYJYKSKOBCN-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000020903710 553702185 /nfs/dbraw/zinc/70/21/85/553702185.db2.gz DZBZNCAPDSJWOW-IZZNHLLZSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903791 553702534 /nfs/dbraw/zinc/70/25/34/553702534.db2.gz YLHASALQOBNZNC-LOSJGSFVSA-N -1 1 517.054 6.080 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903781 553702625 /nfs/dbraw/zinc/70/26/25/553702625.db2.gz SHEDTCSKSZTLTC-RPBOFIJWSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903762 553702655 /nfs/dbraw/zinc/70/26/55/553702655.db2.gz SWEHSUBPUWDPSY-KAYWLYCHSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904030 553703274 /nfs/dbraw/zinc/70/32/74/553703274.db2.gz FJCHWJCMNXVEMS-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903989 553703291 /nfs/dbraw/zinc/70/32/91/553703291.db2.gz MGEBLRLXNNWZFO-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904018 553703327 /nfs/dbraw/zinc/70/33/27/553703327.db2.gz JNSYLBRMPKFHDG-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM CCc1c(C)sc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1C(=O)OC ZINC000097945344 553771455 /nfs/dbraw/zinc/77/14/55/553771455.db2.gz RDBDYGLPFROOPT-UHFFFAOYSA-N -1 1 524.089 5.669 50 0 KKAAMM Cc1sc2[n-]c(=S)n(NC(=O)[C@H](C)Oc3ccc(Br)cc3Cl)c(=O)c2c1-c1ccccc1 ZINC000097948061 553790899 /nfs/dbraw/zinc/79/08/99/553790899.db2.gz ZLPZFXFXKKNEHA-NSHDSACASA-N -1 1 550.887 6.050 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1 ZINC000097949491 553801905 /nfs/dbraw/zinc/80/19/05/553801905.db2.gz OLPYVILIJIUHLC-XMMPIXPASA-N -1 1 543.451 6.515 50 0 KKAAMM COc1ccc(CN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1 ZINC000097949729 553802778 /nfs/dbraw/zinc/80/27/78/553802778.db2.gz CRPZYUJCRWARDO-QHCPKHFHSA-N -1 1 529.424 6.472 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000097949702 553802863 /nfs/dbraw/zinc/80/28/63/553802863.db2.gz IIVGWOBGGSMKAG-LJQANCHMSA-N -1 1 550.493 6.545 50 0 KKAAMM COc1ccccc1CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949755 553803127 /nfs/dbraw/zinc/80/31/27/553803127.db2.gz HQYTVFXTQQHAKA-DEOSSOPVSA-N -1 1 543.451 6.515 50 0 KKAAMM COc1cc(C(=O)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)ccc1OCc1ccc(Cl)cc1 ZINC000027522864 553829692 /nfs/dbraw/zinc/82/96/92/553829692.db2.gz IMRISXYFHWNCBG-UHFFFAOYSA-N -1 1 514.965 7.002 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000097960033 553868069 /nfs/dbraw/zinc/86/80/69/553868069.db2.gz GQDKLTHBTJOJPG-UHFFFAOYSA-N -1 1 520.385 6.622 50 0 KKAAMM Cc1nnc([N-]C(=O)c2nc(SCc3cccc(C)c3)ncc2Sc2ccc(Cl)cc2)s1 ZINC000032622449 553870311 /nfs/dbraw/zinc/87/03/11/553870311.db2.gz WTGYKCFUOWCKKD-UHFFFAOYSA-N -1 1 500.074 6.294 50 0 KKAAMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033026162 553890706 /nfs/dbraw/zinc/89/07/06/553890706.db2.gz BUSSPYUSJIDIEW-UHFFFAOYSA-N -1 1 500.045 5.564 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 ZINC000097965109 553902847 /nfs/dbraw/zinc/90/28/47/553902847.db2.gz GEMINHBMZQMDAU-QZLOAYOHSA-N -1 1 594.183 7.701 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 ZINC000097965108 553902871 /nfs/dbraw/zinc/90/28/71/553902871.db2.gz GEMINHBMZQMDAU-STRURWIPSA-N -1 1 594.183 7.701 50 0 KKAAMM COc1ccccc1/C=C1\CCC[C@H]2C1=NN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)[C@@H]2c1ccccc1OC ZINC000097965186 553903378 /nfs/dbraw/zinc/90/33/78/553903378.db2.gz OBAGIZSCDAIYAK-CRBCCELGSA-N -1 1 642.177 7.595 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@H]2[C@H]1c1ccc(Br)cc1 ZINC000097965177 553903416 /nfs/dbraw/zinc/90/34/16/553903416.db2.gz BQWHNOAIHYJWSK-RJRATBSMSA-N -1 1 739.917 9.103 50 0 KKAAMM CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097965181 553903441 /nfs/dbraw/zinc/90/34/41/553903441.db2.gz QZBIGHDOKBRURE-QJNTYGNZSA-N -1 1 670.231 8.375 50 0 KKAAMM Cc1ccc(CNC(=O)c2ccc(N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000033356914 553945435 /nfs/dbraw/zinc/94/54/35/553945435.db2.gz IVUGAOMLQZEZIS-NOZRDPDXSA-N -1 1 603.144 5.165 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 ZINC000097971224 553961689 /nfs/dbraw/zinc/96/16/89/553961689.db2.gz YLFDOCFAUXVIDQ-RVJSOUBVSA-N -1 1 562.047 6.764 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000097980122 553985504 /nfs/dbraw/zinc/98/55/04/553985504.db2.gz NWBBYWMASHTQTC-SRZZPIQSSA-N -1 1 679.817 6.079 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(N4CCOCC4)c(S(=O)(=O)[N-]c4ccc(OC)cc4)c3)C2=O)cc1 ZINC000097980465 553988994 /nfs/dbraw/zinc/98/89/94/553988994.db2.gz NBYOULSLLPOZJI-SXBRIOAWSA-N -1 1 682.755 5.149 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)c3cccc(F)c3)c2)cc1Br ZINC000097982366 554001493 /nfs/dbraw/zinc/00/14/93/554001493.db2.gz ZJFUTFHDSJAUTO-UHFFFAOYSA-N -1 1 586.892 5.568 50 0 KKAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(C2CCCCC2)cc1 ZINC000097982387 554001926 /nfs/dbraw/zinc/00/19/26/554001926.db2.gz QVVBDQJDPDJHHH-UHFFFAOYSA-N -1 1 535.618 5.346 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000097982616 554004000 /nfs/dbraw/zinc/00/40/00/554004000.db2.gz BABAIVSCYINJEX-UHFFFAOYSA-N -1 1 537.041 5.138 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccccc2)cc1 ZINC000035671367 554062259 /nfs/dbraw/zinc/06/22/59/554062259.db2.gz LKXNSJNIYYHKCD-UHFFFAOYSA-N -1 1 509.518 6.078 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000098021284 554117704 /nfs/dbraw/zinc/11/77/04/554117704.db2.gz JQFUUZZCLUYWOA-QHCPKHFHSA-N -1 1 533.469 5.427 50 0 KKAAMM CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000098021349 554118056 /nfs/dbraw/zinc/11/80/56/554118056.db2.gz UYAFAFXXOFWWJV-XMMPIXPASA-N -1 1 531.497 6.152 50 0 KKAAMM COc1ccc(CCNc2ccc(C(=O)N3CCCCC3)cc2S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1OC ZINC000098049727 554168527 /nfs/dbraw/zinc/16/85/27/554168527.db2.gz TUNKERMHYIDAJG-UHFFFAOYSA-N -1 1 591.652 5.804 50 0 KKAAMM COc1ccc(CNc2ccc(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000098049731 554168590 /nfs/dbraw/zinc/16/85/90/554168590.db2.gz FCVRIFLVBXISKN-SFTDATJTSA-N -1 1 537.682 5.235 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000040485276 554286932 /nfs/dbraw/zinc/28/69/32/554286932.db2.gz ZWZYRSZVZBEQLB-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000040485267 554286980 /nfs/dbraw/zinc/28/69/80/554286980.db2.gz BAEYWRQTLUNWQN-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000040485270 554287124 /nfs/dbraw/zinc/28/71/24/554287124.db2.gz ZWZYRSZVZBEQLB-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000053333464 554339365 /nfs/dbraw/zinc/33/93/65/554339365.db2.gz CHLGRHYOAZUUDU-JOCHJYFZSA-N -1 1 567.395 7.482 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100426082 554387413 /nfs/dbraw/zinc/38/74/13/554387413.db2.gz OFIJUARJFSFIDT-IPBJYNAHSA-N -1 1 538.600 6.197 50 0 KKAAMM CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000100426617 554388751 /nfs/dbraw/zinc/38/87/51/554388751.db2.gz MSAZXDIFZLFFSS-UNWAGXGRSA-N -1 1 598.696 7.296 50 0 biogenic KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Br)cc1 ZINC000100561182 554418015 /nfs/dbraw/zinc/41/80/15/554418015.db2.gz DQEBNYUPAXUATN-UHFFFAOYSA-N -1 1 515.411 6.029 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Br ZINC000059651346 554418275 /nfs/dbraw/zinc/41/82/75/554418275.db2.gz PTRCZBPEMKZGMU-UHFFFAOYSA-N -1 1 545.864 5.021 50 0 KKAAMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000100956989 554539845 /nfs/dbraw/zinc/53/98/45/554539845.db2.gz XTLUGAKTVXLBGI-AQIZGWBQSA-N -1 1 549.877 5.440 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000100981755 554547780 /nfs/dbraw/zinc/54/77/80/554547780.db2.gz LMDPAMFIJOFDSR-UHFFFAOYSA-N -1 1 590.054 5.342 50 0 KKAAMM CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101076319 554577813 /nfs/dbraw/zinc/57/78/13/554577813.db2.gz UTCYUDYBHIVTMJ-WEWMWRJBSA-N -1 1 577.519 6.801 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101097002 554584665 /nfs/dbraw/zinc/58/46/65/554584665.db2.gz BOFLRWNUAIVPMS-IARZGTGTSA-N -1 1 500.595 5.624 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101252522 554694234 /nfs/dbraw/zinc/69/42/34/554694234.db2.gz QQLFJLVMQCIPOZ-IARZGTGTSA-N -1 1 500.595 5.542 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1OC ZINC000101289554 554707246 /nfs/dbraw/zinc/70/72/46/554707246.db2.gz FIQXLMRBKZELMK-BVAGGSTKSA-N -1 1 528.634 5.190 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101289926 554707346 /nfs/dbraw/zinc/70/73/46/554707346.db2.gz GEKURBNZFBEVIG-DHIUTWEWSA-N -1 1 523.445 6.171 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290374 554707757 /nfs/dbraw/zinc/70/77/57/554707757.db2.gz VPYJETUFFLWKMW-FTJBHMTQSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290370 554707785 /nfs/dbraw/zinc/70/77/85/554707785.db2.gz VPYJETUFFLWKMW-CLJLJLNGSA-N -1 1 563.079 5.925 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101291708 554708639 /nfs/dbraw/zinc/70/86/39/554708639.db2.gz VQVIDJQLNDFBRO-DQEYMECFSA-N -1 1 551.043 6.056 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292517 554709120 /nfs/dbraw/zinc/70/91/20/554709120.db2.gz IXWXAZAVYZPXAB-RPBOFIJWSA-N -1 1 551.043 5.974 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000101292485 554709134 /nfs/dbraw/zinc/70/91/34/554709134.db2.gz SNUQSTWNFNVEIA-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293416 554710059 /nfs/dbraw/zinc/71/00/59/554710059.db2.gz JTSYKCPHUCGHCJ-CLJLJLNGSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101294182 554710677 /nfs/dbraw/zinc/71/06/77/554710677.db2.gz IXAOOXUVRFAYGP-LOSJGSFVSA-N -1 1 567.498 6.488 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101294204 554710933 /nfs/dbraw/zinc/71/09/33/554710933.db2.gz ONPGTSBTLYCDDT-DQEYMECFSA-N -1 1 551.043 5.974 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101295380 554712011 /nfs/dbraw/zinc/71/20/11/554712011.db2.gz GGTFMWKOCGVXAN-IZZNHLLZSA-N -1 1 540.645 5.350 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(Cl)ccc3OC)s2)cc1 ZINC000101295335 554712024 /nfs/dbraw/zinc/71/20/24/554712024.db2.gz BOFCHTQOBUMHAD-RSXGOPAZSA-N -1 1 547.080 6.089 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000101295454 554712031 /nfs/dbraw/zinc/71/20/31/554712031.db2.gz YGZSWJJNARQUML-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101295433 554712038 /nfs/dbraw/zinc/71/20/38/554712038.db2.gz BGIWRPRSZRIGDV-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000101295463 554712298 /nfs/dbraw/zinc/71/22/98/554712298.db2.gz YGZSWJJNARQUML-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccccc2)cc1Br ZINC000101360498 554742287 /nfs/dbraw/zinc/74/22/87/554742287.db2.gz CXSDMNMTCJNDGL-UHFFFAOYSA-N -1 1 531.362 6.651 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101429038 554769640 /nfs/dbraw/zinc/76/96/40/554769640.db2.gz GVJOJFVBRJNPHD-IANOAQMISA-N -1 1 580.681 7.186 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1 ZINC000101616369 554806103 /nfs/dbraw/zinc/80/61/03/554806103.db2.gz PBVKCBKGXICVAS-UHFFFAOYSA-N -1 1 586.648 6.494 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000101860559 554844248 /nfs/dbraw/zinc/84/42/48/554844248.db2.gz FUEIGOQTTWKICS-UHFFFAOYSA-N -1 1 573.803 7.471 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(C(C)(C)C)cc1 ZINC000101860553 554844278 /nfs/dbraw/zinc/84/42/78/554844278.db2.gz VGAKGBYNRJAWBP-UHFFFAOYSA-N -1 1 552.140 6.827 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969384 554854881 /nfs/dbraw/zinc/85/48/81/554854881.db2.gz YIQLHTLFJYRQHQ-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969430 554855062 /nfs/dbraw/zinc/85/50/62/554855062.db2.gz PDHYTTLTUYPLOP-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969443 554855106 /nfs/dbraw/zinc/85/51/06/554855106.db2.gz IMMPRSQPOFUWDA-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969529 554855302 /nfs/dbraw/zinc/85/53/02/554855302.db2.gz RSSHAMFVPJXSIX-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101969511 554855348 /nfs/dbraw/zinc/85/53/48/554855348.db2.gz DYJCJNKNADSXFE-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101969649 554855422 /nfs/dbraw/zinc/85/54/22/554855422.db2.gz KQVXJPIFWLDAKN-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969663 554855536 /nfs/dbraw/zinc/85/55/36/554855536.db2.gz OXZPLGYQBLTDFE-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969786 554855545 /nfs/dbraw/zinc/85/55/45/554855545.db2.gz UFFRIQSKMCZCFW-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969826 554855803 /nfs/dbraw/zinc/85/58/03/554855803.db2.gz GOVAXKZUMCGZLP-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969795 554855868 /nfs/dbraw/zinc/85/58/68/554855868.db2.gz UEBNWDMAIORZJJ-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969851 554855885 /nfs/dbraw/zinc/85/58/85/554855885.db2.gz XRUYBOCNLRRRKL-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970185 554856460 /nfs/dbraw/zinc/85/64/60/554856460.db2.gz XQTIVIIRMYMTQX-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101970306 554856960 /nfs/dbraw/zinc/85/69/60/554856960.db2.gz OBYPRLXECXKBTO-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000101970361 554857010 /nfs/dbraw/zinc/85/70/10/554857010.db2.gz REYGPDAXXHNKNK-DNQXCXABSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970443 554857142 /nfs/dbraw/zinc/85/71/42/554857142.db2.gz XMRFMBMHUIXGCS-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1cccc(F)c1 ZINC000101970459 554857355 /nfs/dbraw/zinc/85/73/55/554857355.db2.gz JBBNWDOUANRZKM-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000101970635 554857707 /nfs/dbraw/zinc/85/77/07/554857707.db2.gz NNJSOKDIPMQVES-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970786 554857936 /nfs/dbraw/zinc/85/79/36/554857936.db2.gz FVHJDBCQMOOJIU-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000101970743 554857950 /nfs/dbraw/zinc/85/79/50/554857950.db2.gz JFHLJJGBSNPWMI-UPVQGACJSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000101970763 554857966 /nfs/dbraw/zinc/85/79/66/554857966.db2.gz HMLHMQVCMHXYKQ-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000101970875 554858370 /nfs/dbraw/zinc/85/83/70/554858370.db2.gz ZSOBBXBAIMVJPK-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000101970972 554858668 /nfs/dbraw/zinc/85/86/68/554858668.db2.gz RYSGOGRPSHTAMJ-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101971664 554859592 /nfs/dbraw/zinc/85/95/92/554859592.db2.gz PJNQTXWOWDZIQB-RSXGOPAZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971692 554859637 /nfs/dbraw/zinc/85/96/37/554859637.db2.gz SMOQTZODTDEYRZ-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101971727 554859796 /nfs/dbraw/zinc/85/97/96/554859796.db2.gz QDXMUTAPWUSBME-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101972239 554860026 /nfs/dbraw/zinc/86/00/26/554860026.db2.gz LORQVQLZWUFAEN-CLJLJLNGSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972293 554860050 /nfs/dbraw/zinc/86/00/50/554860050.db2.gz UGQZBGRTUUDXMX-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972068 554860099 /nfs/dbraw/zinc/86/00/99/554860099.db2.gz VOUDDNJPKMXAMR-ZEQKJWHPSA-N -1 1 526.618 5.156 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972310 554860112 /nfs/dbraw/zinc/86/01/12/554860112.db2.gz XDPSRVAQCZFMPU-CLJLJLNGSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972448 554860640 /nfs/dbraw/zinc/86/06/40/554860640.db2.gz UFWDDRBVNKJMGK-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972473 554860667 /nfs/dbraw/zinc/86/06/67/554860667.db2.gz GWNNUHUHDXVZIW-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972714 554860976 /nfs/dbraw/zinc/86/09/76/554860976.db2.gz FWODGPONXMSNCE-JWQCQUIFSA-N -1 1 534.588 5.460 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972825 554861408 /nfs/dbraw/zinc/86/14/08/554861408.db2.gz JNJGVFDPNGCQAD-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101973414 554862354 /nfs/dbraw/zinc/86/23/54/554862354.db2.gz ATLRYIAFWLEYIU-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000101977443 554863149 /nfs/dbraw/zinc/86/31/49/554863149.db2.gz PXQUQZIZXCGKEA-UHFFFAOYSA-N -1 1 587.698 6.739 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1C ZINC000102230975 554900029 /nfs/dbraw/zinc/90/00/29/554900029.db2.gz BKXHKZGYCQHEKK-UHFFFAOYSA-N -1 1 531.037 6.553 50 0 KKAAMM COc1ccccc1CN1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](N([O-])C(=O)Nc2cccc(C(F)(F)F)c2)C1(C)C ZINC000102415118 554924592 /nfs/dbraw/zinc/92/45/92/554924592.db2.gz XAUBORPLJZMELB-HSZRJFAPSA-N -1 1 596.528 7.203 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@@H](c2ccc(C)o2)c2cccc(Br)c2)cc1OC ZINC000102418506 554925065 /nfs/dbraw/zinc/92/50/65/554925065.db2.gz JCHHBSHTEPXYKL-MHZLTWQESA-N -1 1 556.478 6.657 50 0 KKAAMM COc1ccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1 ZINC000102873082 555103504 /nfs/dbraw/zinc/10/35/04/555103504.db2.gz NLORLFLVEPGGLE-QHCPKHFHSA-N -1 1 596.528 7.203 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(Cl)c3)[C@@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc1OC ZINC000102897789 555137830 /nfs/dbraw/zinc/13/78/30/555137830.db2.gz DAESTBZRTOZUOE-VWLOTQADSA-N -1 1 573.477 6.523 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000102902697 555140771 /nfs/dbraw/zinc/14/07/71/555140771.db2.gz WJGSFDZQSDEGNM-UHFFFAOYSA-N -1 1 560.119 5.997 50 0 KKAAMM CC[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102939238 555167834 /nfs/dbraw/zinc/16/78/34/555167834.db2.gz AAPUWSRUNCQNHH-HSZRJFAPSA-N -1 1 536.547 5.654 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CSc2ccc3ccccc3c2)c1 ZINC000102956780 555174187 /nfs/dbraw/zinc/17/41/87/555174187.db2.gz HSSSJOZBKIIORW-UHFFFAOYSA-N -1 1 563.701 5.217 50 0 KKAAMM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(F)cc4)ccc3Cl)c2)cc1 ZINC000102958054 555174489 /nfs/dbraw/zinc/17/44/89/555174489.db2.gz HOJAOXOAOFYKSO-UHFFFAOYSA-N -1 1 590.054 5.342 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)c2)cc1C ZINC000102960903 555176166 /nfs/dbraw/zinc/17/61/66/555176166.db2.gz SDRIVPRBXMDQFE-UHFFFAOYSA-N -1 1 576.140 5.575 50 0 KKAAMM O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000102970413 555181386 /nfs/dbraw/zinc/18/13/86/555181386.db2.gz CRNHTQLOFHQSGA-UHFFFAOYSA-N -1 1 549.665 5.073 50 0 KKAAMM Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000102972500 555182420 /nfs/dbraw/zinc/18/24/20/555182420.db2.gz QTDKIVCOCULNJZ-UHFFFAOYSA-N -1 1 519.016 5.565 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000102972500 555182423 /nfs/dbraw/zinc/18/24/23/555182423.db2.gz QTDKIVCOCULNJZ-UHFFFAOYSA-N -1 1 519.016 5.565 50 0 KKAAMM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1C ZINC000102972512 555182457 /nfs/dbraw/zinc/18/24/57/555182457.db2.gz LZGWPZSXZMKYGE-UHFFFAOYSA-N -1 1 553.628 5.524 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4ccccc4n3)ccc2C)cc1Br ZINC000102994080 555194069 /nfs/dbraw/zinc/19/40/69/555194069.db2.gz LVVNEHYJJCVUGY-UHFFFAOYSA-N -1 1 540.439 5.758 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000102994391 555194564 /nfs/dbraw/zinc/19/45/64/555194564.db2.gz TVWPRRYHESPYPY-UHFFFAOYSA-N -1 1 551.462 6.029 50 0 KKAAMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2C)ccc1Cl ZINC000102998738 555197814 /nfs/dbraw/zinc/19/78/14/555197814.db2.gz XOLVGVSNVWMLCY-UHFFFAOYSA-N -1 1 570.520 5.385 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000103012203 555207055 /nfs/dbraw/zinc/20/70/55/555207055.db2.gz XDHPUSIAFNMXKZ-UHFFFAOYSA-N -1 1 592.526 6.106 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)ccc2N2CCCC2)cc1 ZINC000103049486 555231460 /nfs/dbraw/zinc/23/14/60/555231460.db2.gz NXWXOXVRAXDSIG-UHFFFAOYSA-N -1 1 584.723 6.625 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cc2ccccc2o1 ZINC000103049784 555231975 /nfs/dbraw/zinc/23/19/75/555231975.db2.gz UFHXPLPHEMJKBO-UHFFFAOYSA-N -1 1 529.540 6.105 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccccc1Br ZINC000103049779 555232038 /nfs/dbraw/zinc/23/20/38/555232038.db2.gz BQPLWDLKTUMGQR-UHFFFAOYSA-N -1 1 568.415 6.121 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCOc3ccc(OC)cc3)ccc2N2CCCCC2)cc1 ZINC000103050192 555232436 /nfs/dbraw/zinc/23/24/36/555232436.db2.gz HPSMMPHTVARXJA-UHFFFAOYSA-N -1 1 553.681 5.293 50 0 KKAAMM COc1ccc(C(c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000103124839 555292741 /nfs/dbraw/zinc/29/27/41/555292741.db2.gz BLXBCKIRJHDQLY-UHFFFAOYSA-N -1 1 502.521 5.553 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)C(=O)N1c1ccccc1 ZINC000103410187 555395978 /nfs/dbraw/zinc/39/59/78/555395978.db2.gz ODORIWCWSLPIHG-UHFFFAOYSA-N -1 1 580.062 6.269 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)NCc3ccco3)cc3cc([N-]S(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000103428048 555409888 /nfs/dbraw/zinc/40/98/88/555409888.db2.gz YCSAKWNNALKGAK-UHFFFAOYSA-N -1 1 534.037 5.975 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C2=O)cc1 ZINC000103428199 555410313 /nfs/dbraw/zinc/41/03/13/555410313.db2.gz WXOLOAWLZZTPQR-UHFFFAOYSA-N -1 1 585.707 6.102 50 0 KKAAMM O=C1C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1Cc1ccco1 ZINC000103439348 555419128 /nfs/dbraw/zinc/41/91/28/555419128.db2.gz MWGWDNBKBWAHJK-UHFFFAOYSA-N -1 1 610.511 5.828 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103439443 555419468 /nfs/dbraw/zinc/41/94/68/555419468.db2.gz ZMAYTQKVCFKPML-UHFFFAOYSA-N -1 1 575.643 5.624 50 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/nfs/dbraw/zinc/48/04/63/571480463.db2.gz UFJVMKILPIUHAC-UHFFFAOYSA-N -1 1 644.794 5.126 50 0 KKAAMM CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000150409856 571482240 /nfs/dbraw/zinc/48/22/40/571482240.db2.gz VWDDBFGVFZBFRG-UHFFFAOYSA-N -1 1 690.288 5.251 50 0 KKAAMM O=C1C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccco1 ZINC000150412615 571484423 /nfs/dbraw/zinc/48/44/23/571484423.db2.gz KXBDFIBLISWXOC-UHFFFAOYSA-N -1 1 644.956 6.481 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1 ZINC000150420854 571487360 /nfs/dbraw/zinc/48/73/60/571487360.db2.gz DWLUVHBNWWQYDA-UHFFFAOYSA-N -1 1 685.224 5.656 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)c3c(-c4ccc(F)cc4)c4c5n(c6c(ccc(F)c6F)n35)CCCC4)c2)cc1 ZINC000150438202 571496801 /nfs/dbraw/zinc/49/68/01/571496801.db2.gz LKYFROZZLVNROD-UHFFFAOYSA-N -1 1 629.660 7.355 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c1 ZINC000150446615 571500942 /nfs/dbraw/zinc/50/09/42/571500942.db2.gz XBZGQXOPDLOOHO-UHFFFAOYSA-N -1 1 671.197 5.063 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000150448359 571501458 /nfs/dbraw/zinc/50/14/58/571501458.db2.gz JRUGEJVZYJMBKF-UHFFFAOYSA-N -1 1 650.779 5.003 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)ccc2N2CCOCC2)cc1 ZINC000150453432 571503603 /nfs/dbraw/zinc/50/36/03/571503603.db2.gz SNKKFLYOZZLBGD-UHFFFAOYSA-N -1 1 639.734 5.446 50 0 KKAAMM CN(C)c1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c2)c2c[nH]c3ccccc32)cc1 ZINC000150453675 571503772 /nfs/dbraw/zinc/50/37/72/571503772.db2.gz USVHCWLRMIXDJF-DHUJRADRSA-N -1 1 644.797 7.176 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1OC ZINC000263585395 572118279 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O=C(C[C@H]1c2cc3ccccc3nc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21)N1CCCCC1 ZINC000253401787 572285326 /nfs/dbraw/zinc/28/53/26/572285326.db2.gz FVNZJPOSDHAMKV-NRFANRHFSA-N -1 1 518.569 6.354 50 0 KKAAMM O=C(C[C@H]1c2cc3ccccc3nc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21)N1CCCCC1 ZINC000253401787 572285328 /nfs/dbraw/zinc/28/53/28/572285328.db2.gz FVNZJPOSDHAMKV-NRFANRHFSA-N -1 1 518.569 6.354 50 0 KKAAMM COc1ccc2nc3c(cc2c1)[C@H](CC(=O)N1CCCCC1)c1c(cc(=O)c2c([O-])cc(-c4ccccc4)oc1-2)O3 ZINC000253406017 572286207 /nfs/dbraw/zinc/28/62/07/572286207.db2.gz IQOHCFPESRRCML-QFIPXVFZSA-N -1 1 548.595 6.363 50 0 KKAAMM O=C(Nc1ccc(Cl)c(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1)c1ccc2ccccc2c1[O-] ZINC000002907436 1069841866 /nfs/dbraw/zinc/84/18/66/1069841866.db2.gz IKFGPVZUSVRUNT-UHFFFAOYSA-N -1 1 580.638 7.865 50 0 KKAAMM COC(=O)C1=C(C)NC2=C(C(=O)[C@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000888089005 1071057425 /nfs/dbraw/zinc/05/74/25/1071057425.db2.gz BXHXKFSKBOKMDC-CMZOJJRWSA-N -1 1 574.413 5.567 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000150501306 1071173367 /nfs/dbraw/zinc/17/33/67/1071173367.db2.gz VTGUDWXIOUHOQV-CXUHLZMHSA-N -1 1 635.565 6.825 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3ccc(Cl)cc3)ccc2N2CCCCC2)cc1 ZINC000033669309 1071200681 /nfs/dbraw/zinc/20/06/81/1071200681.db2.gz XTKQGXIUXLQVBI-APSNUPSMSA-N -1 1 526.058 5.792 50 0 KKAAMM O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000604404307 1071269213 /nfs/dbraw/zinc/26/92/13/1071269213.db2.gz BXQKWGAEEQZOOD-XMMPIXPASA-N -1 1 546.575 6.163 50 0 KKAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000604404307 1071269217 /nfs/dbraw/zinc/26/92/17/1071269217.db2.gz BXQKWGAEEQZOOD-XMMPIXPASA-N -1 1 546.575 6.163 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000097984223 1072840559 /nfs/dbraw/zinc/84/05/59/1072840559.db2.gz ZARXWDMTYZVJNC-YNXMOZLXSA-N -1 1 618.105 7.856 50 0 KKAAMM COc1cc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000254348642 1072848967 /nfs/dbraw/zinc/84/89/67/1072848967.db2.gz ILZZLMUFUFSJDS-UHFFFAOYSA-N -1 1 645.477 6.434 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)c(=Nc3ccc(Cl)cc3)oc2cc1[O-] ZINC000254392081 1072851311 /nfs/dbraw/zinc/85/13/11/1072851311.db2.gz OLDWGCOTQUVGBJ-UHFFFAOYSA-N -1 1 607.175 10.730 50 0 KKAAMM O=[N+]([O-])c1ccc(N=NCc2ccccc2Br)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000254411813 1072854375 /nfs/dbraw/zinc/85/43/75/1072854375.db2.gz QIRSZBORCLRVPE-UHFFFAOYSA-N -1 1 509.769 5.258 50 0 KKAAMM CCCCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000254480020 1072856861 /nfs/dbraw/zinc/85/68/61/1072856861.db2.gz DOGJIIJPQLQGHU-UHFFFAOYSA-N -1 1 502.980 5.674 50 0 KKAAMM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000015229643 1072896804 /nfs/dbraw/zinc/89/68/04/1072896804.db2.gz LKRRQUWTIFFURH-OAQYLSRUSA-N -1 1 519.575 5.119 50 0 KKAAMM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000015229643 1072896812 /nfs/dbraw/zinc/89/68/12/1072896812.db2.gz LKRRQUWTIFFURH-OAQYLSRUSA-N -1 1 519.575 5.119 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1 ZINC000000826909 551545213 /nfs/dbraw/zinc/54/52/13/551545213.db2.gz VZFXMPPEHAZJKS-UHFFFAOYSA-N -1 1 535.647 5.157 50 0 KKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc(Br)cc1 ZINC000001011443 551596803 /nfs/dbraw/zinc/59/68/03/551596803.db2.gz FTYKJNQUKYOMOL-UHFFFAOYSA-N -1 1 517.426 5.204 50 0 KKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000001044970 551599027 /nfs/dbraw/zinc/59/90/27/551599027.db2.gz ZYFBHRYOWQAOLA-UHFFFAOYSA-N -1 1 524.464 5.326 50 0 KKAAMM COC(=O)[C@H](C)N1C(=S)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000001271054 551634994 /nfs/dbraw/zinc/63/49/94/551634994.db2.gz QENICHVYFDCGBK-WLRWDXFRSA-N -1 1 580.321 6.297 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322683 551642011 /nfs/dbraw/zinc/64/20/11/551642011.db2.gz MTMQDVRIZDKYER-GHRAFVERSA-N -1 1 584.625 5.905 50 0 biogenic KKAAMM CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)CCC(=O)[O-])[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000001408963 551663703 /nfs/dbraw/zinc/66/37/03/551663703.db2.gz UFQVNTKZMCUZMD-WJOKGBTCSA-N -1 1 524.617 6.923 50 0 KKAAMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3)cc2)cc1 ZINC000001432442 551670436 /nfs/dbraw/zinc/67/04/36/551670436.db2.gz SMQFUFKKKIYYRL-UHFFFAOYSA-N -1 1 515.513 5.536 50 0 KKAAMM CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001872439 551720087 /nfs/dbraw/zinc/72/00/87/551720087.db2.gz HUFSSWPPXLWONS-OCBJUFRSSA-N -1 1 555.030 6.369 50 0 KKAAMM CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000001875611 551722144 /nfs/dbraw/zinc/72/21/44/551722144.db2.gz JZEDEROKZGTJQZ-WJOKGBTCSA-N -1 1 576.187 7.329 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Sc5ccccc5)cc4)cs3)c(=O)oc2cc1[O-] ZINC000002197207 551792230 /nfs/dbraw/zinc/79/22/30/551792230.db2.gz GXFMTPWITSYFNW-UHFFFAOYSA-N -1 1 513.684 8.563 50 0 KKAAMM Nc1nc(-c2ccc(OCc3cccc(Cl)c3)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000002324779 552094888 /nfs/dbraw/zinc/09/48/88/552094888.db2.gz UWNWOZWQBVIOHU-UHFFFAOYSA-N -1 1 506.311 7.003 50 0 KKAAMM O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002326484 552095369 /nfs/dbraw/zinc/09/53/69/552095369.db2.gz DJXREKAOCGFYQI-UHFFFAOYSA-N -1 1 527.631 5.105 50 0 KKAAMM O=c1/c(=C/c2ccc([O-])c(Br)c2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002363692 552103305 /nfs/dbraw/zinc/10/33/05/552103305.db2.gz XTLUGAKTVXLBGI-PNZYDNNZSA-N -1 1 549.877 5.440 50 0 KKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])n1 ZINC000002430176 552117645 /nfs/dbraw/zinc/11/76/45/552117645.db2.gz HJUFZGSKZVYVMU-UHFFFAOYSA-N -1 1 517.210 6.747 50 0 KKAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002436080 552118749 /nfs/dbraw/zinc/11/87/49/552118749.db2.gz YEQKIUHBYOXGIP-YPKYBTACSA-N -1 1 534.612 6.024 50 0 KKAAMM O=S(=O)([N-]c1ccccc1)c1cc(S(=O)(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)ccc1Cl ZINC000002468952 552124696 /nfs/dbraw/zinc/12/46/96/552124696.db2.gz QCCYLIPIWNIJLY-UHFFFAOYSA-N -1 1 597.523 5.428 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)/c(=N/c3ccc(Br)cc3)oc2cc1[O-] ZINC000002964009 552235176 /nfs/dbraw/zinc/23/51/76/552235176.db2.gz SWHFQUQTJFTNFA-MEIHLTSWSA-N -1 1 589.555 9.055 50 0 KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/c3ccc(C)cc3)oc2cc1[O-] ZINC000002964018 552235187 /nfs/dbraw/zinc/23/51/87/552235187.db2.gz ASLCYCKVGLKFRA-MEIHLTSWSA-N -1 1 529.105 9.246 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)Oc3cccc(C(F)(F)F)c3)ccc2NCc2ccccc2Cl)c1 ZINC000003019713 552263246 /nfs/dbraw/zinc/26/32/46/552263246.db2.gz MUCIAGDJYFEWHO-UHFFFAOYSA-N -1 1 591.007 7.000 50 0 KKAAMM COc1ccccc1CNc1ccc(C(=O)Oc2ccccc2Cl)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000003019706 552263311 /nfs/dbraw/zinc/26/33/11/552263311.db2.gz BUZNNBRMRLYYBB-UHFFFAOYSA-N -1 1 591.007 7.000 50 0 KKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3cccc(Br)c3)[n-]c(=O)c2sc1=S ZINC000003034151 552268554 /nfs/dbraw/zinc/26/85/54/552268554.db2.gz QCBMCHPGUMDFOD-UHFFFAOYSA-N -1 1 526.890 6.222 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCC1=CCCCC1 ZINC000003092614 552286950 /nfs/dbraw/zinc/28/69/50/552286950.db2.gz ZJSHADCYZANLFD-QHCPKHFHSA-N -1 1 586.347 8.461 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000003107725 552289030 /nfs/dbraw/zinc/28/90/30/552289030.db2.gz QSBIHTZUSBIVFT-UHFFFAOYSA-N -1 1 510.207 5.265 50 0 KKAAMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000003216141 552307848 /nfs/dbraw/zinc/30/78/48/552307848.db2.gz AXACJZSQZNZLQA-UHFFFAOYSA-N -1 1 520.369 6.149 50 0 KKAAMM O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003217872 552308366 /nfs/dbraw/zinc/30/83/66/552308366.db2.gz WAMFCCAEJILJGO-UHFFFAOYSA-N -1 1 539.963 5.249 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000003218010 552308717 /nfs/dbraw/zinc/30/87/17/552308717.db2.gz FDAZJDRUXZOTFC-UHFFFAOYSA-N -1 1 594.473 5.986 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003219143 552308995 /nfs/dbraw/zinc/30/89/95/552308995.db2.gz ALAHWXHXXIILAR-UHFFFAOYSA-N -1 1 520.632 5.140 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000003225387 552312291 /nfs/dbraw/zinc/31/22/91/552312291.db2.gz ZCGMSRNVAAYADG-UHFFFAOYSA-N -1 1 526.021 6.741 50 0 KKAAMM Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(S(=O)(=O)[N-]c5cccc(C(F)(F)F)c5)c4)cc3)sc2c1 ZINC000003226628 552313154 /nfs/dbraw/zinc/31/31/54/552313154.db2.gz UUBPFLXHTGZPPN-UHFFFAOYSA-N -1 1 567.614 7.344 50 0 KKAAMM CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003236538 552317110 /nfs/dbraw/zinc/31/71/10/552317110.db2.gz OMWMDRJPYDRZSF-UHFFFAOYSA-N -1 1 541.050 6.298 50 0 KKAAMM CCN(C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)c1cccc2ccccc21 ZINC000003237116 552317272 /nfs/dbraw/zinc/31/72/72/552317272.db2.gz OIMAMDAQRISJOL-UHFFFAOYSA-N -1 1 532.971 6.980 50 0 KKAAMM O=C(CSc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2o1)NCc1ccccc1Cl ZINC000003253022 552323117 /nfs/dbraw/zinc/32/31/17/552323117.db2.gz UNFMKBCJAJQPIM-UHFFFAOYSA-N -1 1 522.435 5.344 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000003256007 552324163 /nfs/dbraw/zinc/32/41/63/552324163.db2.gz ROGTYAGKLXAPHM-UHFFFAOYSA-N -1 1 505.625 5.084 50 0 KKAAMM COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)oc1ccccc12 ZINC000003447426 552388521 /nfs/dbraw/zinc/38/85/21/552388521.db2.gz BFXHDHHFCCDRAD-GOSISDBHSA-N -1 1 544.585 5.579 50 0 KKAAMM CC(C)(C)CC(C)(C)c1ccc(OCCOc2ccc(C(=O)NCCNC(=O)c3ccc4ccccc4c3[O-])cc2N)cc1 ZINC000005105597 552493735 /nfs/dbraw/zinc/49/37/35/552493735.db2.gz LLMBVBSHMVRUFW-UHFFFAOYSA-N -1 1 597.756 6.459 50 0 KKAAMM Cc1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000005941945 552514071 /nfs/dbraw/zinc/51/40/71/552514071.db2.gz QRVUUCHJAGWIAG-UHFFFAOYSA-N -1 1 527.412 6.125 50 0 KKAAMM Cc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 ZINC000006016878 552519525 /nfs/dbraw/zinc/51/95/25/552519525.db2.gz KXRPSPSPMWECOZ-UHFFFAOYSA-N -1 1 524.671 6.194 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3cc(F)ccc3C)c2cc1OC ZINC000006058728 552520805 /nfs/dbraw/zinc/52/08/05/552520805.db2.gz XFAPMLLSTIDWMJ-UHFFFAOYSA-N -1 1 526.586 5.108 50 0 biogenic KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(OC)c4ccccc43)c2cc1OC ZINC000006058691 552520903 /nfs/dbraw/zinc/52/09/03/552520903.db2.gz BMMLSPGYNLVQDD-UHFFFAOYSA-N -1 1 574.655 5.823 50 0 biogenic KKAAMM CCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000006072793 552521301 /nfs/dbraw/zinc/52/13/01/552521301.db2.gz KUUNNFVFIJOFDD-UHFFFAOYSA-N -1 1 541.515 6.710 50 0 KKAAMM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006140273 552542595 /nfs/dbraw/zinc/54/25/95/552542595.db2.gz OPDUPXVZGLYBAJ-LBPRGKRZSA-N -1 1 529.348 5.256 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC(C)(C)CC2=O)cc1 ZINC000006142489 552543896 /nfs/dbraw/zinc/54/38/96/552543896.db2.gz MAIJECANBMLALA-UHFFFAOYSA-N -1 1 620.837 7.429 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c1)C[C@@H](C)CC2 ZINC000006144317 552546189 /nfs/dbraw/zinc/54/61/89/552546189.db2.gz APTZASYINLIBFO-RBUKOAKNSA-N -1 1 584.716 5.343 50 0 KKAAMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000006144707 552547035 /nfs/dbraw/zinc/54/70/35/552547035.db2.gz MMSVTUJTJGURDF-CABCVRRESA-N -1 1 591.633 5.847 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000006235170 552572069 /nfs/dbraw/zinc/57/20/69/552572069.db2.gz HGUGIPXRBIQZIC-FGZHOGPDSA-N -1 1 533.738 6.710 50 0 KKAAMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000008384586 552989646 /nfs/dbraw/zinc/98/96/46/552989646.db2.gz WVJOANRUKLBBCL-UHFFFAOYSA-N -1 1 604.072 5.688 50 0 KKAAMM CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000008384511 552989705 /nfs/dbraw/zinc/98/97/05/552989705.db2.gz GMSXJOWICOKEFM-UHFFFAOYSA-N -1 1 648.988 6.122 50 0 KKAAMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000008395845 552993923 /nfs/dbraw/zinc/99/39/23/552993923.db2.gz VISBQOPKQSPMPM-UHFFFAOYSA-N -1 1 714.209 7.114 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3N=C(c4c(=O)[nH]c5ccc(Br)cc5c4-c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000008398782 552999649 /nfs/dbraw/zinc/99/96/49/552999649.db2.gz OEHKAXDGMXMPEQ-UUWRZZSWSA-N -1 1 717.645 8.058 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000008425509 553015589 /nfs/dbraw/zinc/01/55/89/553015589.db2.gz GMMJZHHPRTUWNP-UHFFFAOYSA-N -1 1 592.677 6.034 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(-c4cc(-c5ccccc5)c5cc(Br)ccc5n4)cc3)cc2)cc1 ZINC000008453991 553067129 /nfs/dbraw/zinc/06/71/29/553067129.db2.gz YDFLSELZXWJZTP-UHFFFAOYSA-N -1 1 648.582 8.693 50 0 KKAAMM CCCCOc1ccc(Br)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000008461784 553075182 /nfs/dbraw/zinc/07/51/82/553075182.db2.gz ZSLWXIFZUWAUKP-UHFFFAOYSA-N -1 1 587.518 7.208 50 0 KKAAMM Nc1c(-c2n[n-]c(=S)n2Cc2ccccc2)oc2nc(-c3ccc(Cl)cc3)cc(-c3ccccc3)c12 ZINC000008636730 553105503 /nfs/dbraw/zinc/10/55/03/553105503.db2.gz SJFAKQBKBKUQHG-UHFFFAOYSA-N -1 1 510.022 7.367 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccccc3OC)ccc2N2CCCCC2)cc1 ZINC000008686857 553116131 /nfs/dbraw/zinc/11/61/31/553116131.db2.gz LPANNNJOSORAJU-LICLKQGHSA-N -1 1 521.639 5.147 50 0 KKAAMM Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(I)cc4)cc3[O-])oc2c(C)c1 ZINC000008767738 553139939 /nfs/dbraw/zinc/13/99/39/553139939.db2.gz NNHJJSIIRALCLQ-UHFFFAOYSA-N -1 1 514.319 5.439 50 0 KKAAMM O=c1cc(CSc2ccc(Cl)cc2)nc(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)[n-]1 ZINC000008856121 553167312 /nfs/dbraw/zinc/16/73/12/553167312.db2.gz HUBUHGGQDXDORI-UHFFFAOYSA-N -1 1 504.036 6.788 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1 ZINC000009130256 553213471 /nfs/dbraw/zinc/21/34/71/553213471.db2.gz JFBRVDYXXJSZMS-UHFFFAOYSA-N -1 1 501.892 6.358 50 0 KKAAMM O=C([N-]c1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)c1cc(-c2ccc(F)cc2)on1 ZINC000009251197 553227627 /nfs/dbraw/zinc/22/76/27/553227627.db2.gz KIVQKNTVEFQITO-UHFFFAOYSA-N -1 1 510.525 5.442 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000009432170 553261457 /nfs/dbraw/zinc/26/14/57/553261457.db2.gz BHPVRAVNUOOEAD-NOZRDPDXSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000009432208 553261690 /nfs/dbraw/zinc/26/16/90/553261690.db2.gz VGCWLYRJLYVDIN-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009432246 553261905 /nfs/dbraw/zinc/26/19/05/553261905.db2.gz UJJIFHBNIVCKAX-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000009432239 553261922 /nfs/dbraw/zinc/26/19/22/553261922.db2.gz NLEBESCCERWJSL-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432278 553262085 /nfs/dbraw/zinc/26/20/85/553262085.db2.gz CGDXLLWJNXKQLS-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009432251 553262192 /nfs/dbraw/zinc/26/21/92/553262192.db2.gz DSOHYDFDZFFFGQ-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000009432298 553262515 /nfs/dbraw/zinc/26/25/15/553262515.db2.gz MTJVMNJNJOEMJG-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2NCCc2ccc(Cl)cc2)cc1 ZINC000009490104 553273474 /nfs/dbraw/zinc/27/34/74/553273474.db2.gz OCYPGWVMPKYRQX-UHFFFAOYSA-N -1 1 528.074 5.430 50 0 KKAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000009659678 553293083 /nfs/dbraw/zinc/29/30/83/553293083.db2.gz MYKOEYCLCSSYCF-YCNYHXFESA-N -1 1 523.614 6.634 50 0 KKAAMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000011617396 553339946 /nfs/dbraw/zinc/33/99/46/553339946.db2.gz AQRPGRLIOKUUDX-UHFFFAOYSA-N -1 1 511.689 7.525 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3cccc(Cl)c3C)[n-]2)cc1 ZINC000012112502 553351510 /nfs/dbraw/zinc/35/15/10/553351510.db2.gz KZRMFQXQQNAENF-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM CC(=O)c1cccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)c1 ZINC000012252317 553355583 /nfs/dbraw/zinc/35/55/83/553355583.db2.gz HDDVFTQEELKCQY-UHFFFAOYSA-N -1 1 505.621 5.151 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)N3CCOc4ccc(C)cc43)[n-]2)cc1 ZINC000012252216 553355657 /nfs/dbraw/zinc/35/56/57/553355657.db2.gz FOVWANPJXILYKA-UHFFFAOYSA-N -1 1 519.648 5.044 50 0 KKAAMM CC(=O)c1cccc(NC(=O)CSc2[n-]c(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000012252962 553355947 /nfs/dbraw/zinc/35/59/47/553355947.db2.gz RUSRFWRILLBSPC-UHFFFAOYSA-N -1 1 505.621 5.151 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4c(s3)CCCC4)ccc2N2CCCCC2)cc1 ZINC000012530898 553386152 /nfs/dbraw/zinc/38/61/52/553386152.db2.gz UGDYQXURKBMOKH-UHFFFAOYSA-N -1 1 525.696 5.679 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1cc2sc3ccccc3c2s1 ZINC000012592175 553400617 /nfs/dbraw/zinc/40/06/17/553400617.db2.gz NFCJSMJBRHOMQD-UHFFFAOYSA-N -1 1 515.037 6.528 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)C1CCCCC1)C1CCCCC1 ZINC000012614583 553402590 /nfs/dbraw/zinc/40/25/90/553402590.db2.gz DEHJGKMUOVKPKJ-UHFFFAOYSA-N -1 1 518.079 6.178 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000013138301 553453814 /nfs/dbraw/zinc/45/38/14/553453814.db2.gz LALINUDLHRPCEU-UHFFFAOYSA-N -1 1 502.379 6.010 50 0 KKAAMM COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc(CCC(=O)c2ccc([O-])cc2)c(O)cc1O ZINC000013341201 553458661 /nfs/dbraw/zinc/45/86/61/553458661.db2.gz SFIYEXDIBBOYMW-AREMUKBSSA-N -1 1 514.574 5.803 50 0 KKAAMM CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000013936165 553495794 /nfs/dbraw/zinc/49/57/94/553495794.db2.gz SBPMRPAGJMALEG-OAHLLOKOSA-N -1 1 508.496 7.117 50 0 KKAAMM CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000013936166 553495802 /nfs/dbraw/zinc/49/58/02/553495802.db2.gz SBPMRPAGJMALEG-HNNXBMFYSA-N -1 1 508.496 7.117 50 0 KKAAMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000014223932 553506275 /nfs/dbraw/zinc/50/62/75/553506275.db2.gz NAILCWXYUFAUOR-UHFFFAOYSA-N -1 1 513.468 5.938 50 0 KKAAMM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)C1 ZINC000017245432 553591536 /nfs/dbraw/zinc/59/15/36/553591536.db2.gz JKZMMPKDKAPQJZ-KRWDZBQOSA-N -1 1 507.637 5.342 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000020134588 553592961 /nfs/dbraw/zinc/59/29/61/553592961.db2.gz UYBBNNSNAGZWNZ-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4Cl)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000071386389 553635596 /nfs/dbraw/zinc/63/55/96/553635596.db2.gz QYZBUECFTHOFQI-UHFFFAOYSA-N -1 1 534.893 6.924 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4Cl)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000071386405 553635727 /nfs/dbraw/zinc/63/57/27/553635727.db2.gz GXTCYHCQJQMBME-UHFFFAOYSA-N -1 1 531.918 6.367 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490538 553660609 /nfs/dbraw/zinc/66/06/09/553660609.db2.gz NXLSZPDVDTUEMK-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490560 553660682 /nfs/dbraw/zinc/66/06/82/553660682.db2.gz JMFBYYCWIZEXNI-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490548 553660687 /nfs/dbraw/zinc/66/06/87/553660687.db2.gz SEPNIRJRMNYOTF-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490616 553661242 /nfs/dbraw/zinc/66/12/42/553661242.db2.gz YBXCZETZKRUQLK-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020490696 553661737 /nfs/dbraw/zinc/66/17/37/553661737.db2.gz QFHNDUXDOSABRO-DQEYMECFSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490779 553661998 /nfs/dbraw/zinc/66/19/98/553661998.db2.gz UEPYKASWMPPSOD-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000020490838 553662498 /nfs/dbraw/zinc/66/24/98/553662498.db2.gz DXXYOBFZJITUIW-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490895 553662782 /nfs/dbraw/zinc/66/27/82/553662782.db2.gz JMMMNCCXCNTVFD-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000020490849 553662844 /nfs/dbraw/zinc/66/28/44/553662844.db2.gz DYHSCVCSYNGMJZ-AHWVRZQESA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490869 553662904 /nfs/dbraw/zinc/66/29/04/553662904.db2.gz VULILGZLUPSZMA-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490944 553663265 /nfs/dbraw/zinc/66/32/65/553663265.db2.gz BQZYKZSAQAERAD-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490917 553663295 /nfs/dbraw/zinc/66/32/95/553663295.db2.gz OCOAPPLNYIQFQG-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490940 553663301 /nfs/dbraw/zinc/66/33/01/553663301.db2.gz DHDYUENTGHLPTM-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490962 553663307 /nfs/dbraw/zinc/66/33/07/553663307.db2.gz QIWOJPPUVCUHNC-ZCYQVOJMSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490921 553663328 /nfs/dbraw/zinc/66/33/28/553663328.db2.gz OCOAPPLNYIQFQG-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020490984 553663674 /nfs/dbraw/zinc/66/36/74/553663674.db2.gz GCDUNJJSKSNRPQ-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000020491025 553664147 /nfs/dbraw/zinc/66/41/47/553664147.db2.gz OMRYGNUCDAPTRY-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491220 553664466 /nfs/dbraw/zinc/66/44/66/553664466.db2.gz GAOBVNDDBUTYPI-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491264 553664712 /nfs/dbraw/zinc/66/47/12/553664712.db2.gz LDPVOHJZQGZXCF-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491224 553664784 /nfs/dbraw/zinc/66/47/84/553664784.db2.gz JIZFZYKRQPOILX-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491412 553665209 /nfs/dbraw/zinc/66/52/09/553665209.db2.gz PMYYDFJUWLWKIW-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000085876395 553688921 /nfs/dbraw/zinc/68/89/21/553688921.db2.gz MAICOOPCACCBHY-IBGZPJMESA-N -1 1 502.519 5.411 50 0 biogenic KKAAMM CSc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000020849973 553699382 /nfs/dbraw/zinc/69/93/82/553699382.db2.gz ZDSWVBOHRMYAMF-LOSJGSFVSA-N -1 1 514.676 5.895 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903598 553701570 /nfs/dbraw/zinc/70/15/70/553701570.db2.gz ILKNOVDXFYCUSC-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903600 553701586 /nfs/dbraw/zinc/70/15/86/553701586.db2.gz ILKNOVDXFYCUSC-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903640 553701839 /nfs/dbraw/zinc/70/18/39/553701839.db2.gz CNRBTTQPSPNVQX-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000020903688 553701989 /nfs/dbraw/zinc/70/19/89/553701989.db2.gz DHKXZEYAHNJODV-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000020903750 553702161 /nfs/dbraw/zinc/70/21/61/553702161.db2.gz ZBFFXJTUQSIJNZ-RSXGOPAZSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903741 553702317 /nfs/dbraw/zinc/70/23/17/553702317.db2.gz RLSNRDIVUZMRSQ-FTJBHMTQSA-N -1 1 514.626 5.874 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903797 553702566 /nfs/dbraw/zinc/70/25/66/553702566.db2.gz YLHASALQOBNZNC-RPBOFIJWSA-N -1 1 517.054 6.080 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903760 553702598 /nfs/dbraw/zinc/70/25/98/553702598.db2.gz SWEHSUBPUWDPSY-RRPNLBNLSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020903799 553702603 /nfs/dbraw/zinc/70/26/03/553702603.db2.gz QEPKZKSSNHUSPH-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000020903976 553702893 /nfs/dbraw/zinc/70/28/93/553702893.db2.gz UTSTUAWRZPKSMQ-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903923 553702973 /nfs/dbraw/zinc/70/29/73/553702973.db2.gz GVJSPWQIAYAKHP-GGAORHGYSA-N -1 1 504.637 5.325 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903925 553703002 /nfs/dbraw/zinc/70/30/02/553703002.db2.gz GVJSPWQIAYAKHP-FYYLOGMGSA-N -1 1 504.637 5.325 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000020903978 553703006 /nfs/dbraw/zinc/70/30/06/553703006.db2.gz UTSTUAWRZPKSMQ-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000020903933 553703020 /nfs/dbraw/zinc/70/30/20/553703020.db2.gz AHJCWDQZPSDSKE-IFMALSPDSA-N -1 1 509.056 5.888 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020904058 553703625 /nfs/dbraw/zinc/70/36/25/553703625.db2.gz DIVNVEFPIVNRPM-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)c1 ZINC000020904107 553703683 /nfs/dbraw/zinc/70/36/83/553703683.db2.gz URRGQFPBEXVIME-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904076 553703706 /nfs/dbraw/zinc/70/37/06/553703706.db2.gz NTDHYMJLBZESFT-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM O=S(=O)([N-]c1cc(Cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000095742570 553712190 /nfs/dbraw/zinc/71/21/90/553712190.db2.gz PKKWIYQOXJBASA-UHFFFAOYSA-N -1 1 683.479 8.223 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1C1CCCC1 ZINC000097949477 553802053 /nfs/dbraw/zinc/80/20/53/553802053.db2.gz SVMBTOKLJSACBR-HXUWFJFHSA-N -1 1 546.282 7.513 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@@H](c2ccc(C)o2)c2ccc(Cl)cc2Cl)cc1OC ZINC000097950325 553804007 /nfs/dbraw/zinc/80/40/07/553804007.db2.gz VVKBUJPARPWVIF-MHZLTWQESA-N -1 1 546.472 7.201 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@H](c2ccc(C)o2)c2ccc(Cl)cc2Cl)cc1OC ZINC000097950324 553804045 /nfs/dbraw/zinc/80/40/45/553804045.db2.gz VVKBUJPARPWVIF-HHHXNRCGSA-N -1 1 546.472 7.201 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951502 553809408 /nfs/dbraw/zinc/80/94/08/553809408.db2.gz KUJHYLHIHDIPKG-WAOWUJCRSA-N -1 1 517.262 5.496 50 0 KKAAMM COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097961912 553881722 /nfs/dbraw/zinc/88/17/22/553881722.db2.gz WLEJTKZYOOAAHB-ITIZVALFSA-N -1 1 671.354 5.400 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@H]2[C@@H]1c1ccc(Br)cc1 ZINC000097965178 553903373 /nfs/dbraw/zinc/90/33/73/553903373.db2.gz BQWHNOAIHYJWSK-LSIGONSASA-N -1 1 739.917 9.103 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000097965190 553903599 /nfs/dbraw/zinc/90/35/99/553903599.db2.gz ZARXWDMTYZVJNC-LSIGONSASA-N -1 1 618.105 7.856 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000033357641 553949794 /nfs/dbraw/zinc/94/97/94/553949794.db2.gz YVYRRNWMJXMDSZ-PKTZIBPZSA-N -1 1 551.441 5.766 50 0 KKAAMM O=C(OCc1ccccc1F)c1ccc(NCCc2ccc(Cl)cc2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000033358201 553953664 /nfs/dbraw/zinc/95/36/64/553953664.db2.gz JSEGULZTYITUHL-UHFFFAOYSA-N -1 1 607.025 7.310 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 ZINC000097971226 553961601 /nfs/dbraw/zinc/96/16/01/553961601.db2.gz YLFDOCFAUXVIDQ-YVWMYTRSSA-N -1 1 562.047 6.764 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccccc6)CCC[C@@H]5[C@H]4c4ccccc4)s3)c(=O)oc2cc1[O-] ZINC000097971258 553962023 /nfs/dbraw/zinc/96/20/23/553962023.db2.gz HWZWENZDLZHAKM-ROOSOZLKSA-N -1 1 615.799 9.546 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccccc6)CCC[C@H]5[C@H]4c4ccccc4)s3)c(=O)oc2cc1[O-] ZINC000097971256 553962100 /nfs/dbraw/zinc/96/21/00/553962100.db2.gz HWZWENZDLZHAKM-WMAIURCQSA-N -1 1 615.799 9.546 50 0 KKAAMM CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)[N-][C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl ZINC000097977000 553973658 /nfs/dbraw/zinc/97/36/58/553973658.db2.gz BLUIZLPURCWKDQ-RGZBUGHASA-N -1 1 533.032 7.174 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(NC(=S)Nc2ccc(SC(F)F)cc2)ccc1N1CCOCC1 ZINC000097981303 553992951 /nfs/dbraw/zinc/99/29/51/553992951.db2.gz QCNPWXSGVRXMBV-UHFFFAOYSA-N -1 1 585.123 6.101 50 0 KKAAMM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o1)CC2 ZINC000097981432 553993790 /nfs/dbraw/zinc/99/37/90/553993790.db2.gz ZYOZPSANOVIOIH-FBMGVBCBSA-N -1 1 524.558 5.271 50 0 KKAAMM Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000097982341 554001241 /nfs/dbraw/zinc/00/12/41/554001241.db2.gz KHWGWCSXBRBSFB-UHFFFAOYSA-N -1 1 586.505 6.000 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCN(c2ccc(C)cc2)CC1 ZINC000098007348 554063493 /nfs/dbraw/zinc/06/34/93/554063493.db2.gz WOBSGKDRZGHUEM-UHFFFAOYSA-N -1 1 554.529 6.422 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc(OC)c1OC ZINC000100085313 554208705 /nfs/dbraw/zinc/20/87/05/554208705.db2.gz KUOWSCYCAAGCPB-UHFFFAOYSA-N -1 1 526.593 5.292 50 0 KKAAMM CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000037385120 554239307 /nfs/dbraw/zinc/23/93/07/554239307.db2.gz KCOMXSMJRBRETD-UHFFFAOYSA-N -1 1 506.481 5.292 50 0 KKAAMM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100233632 554257775 /nfs/dbraw/zinc/25/77/75/554257775.db2.gz SUDPKNWTNWZJPY-UUWRZZSWSA-N -1 1 568.673 6.560 50 0 KKAAMM COC(=O)CN[C@@H](c1ccccc1Cl)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000038152587 554272856 /nfs/dbraw/zinc/27/28/56/554272856.db2.gz KMJDKXGCJYAODA-QHCPKHFHSA-N -1 1 537.863 5.064 50 0 aggregator KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000040484954 554286915 /nfs/dbraw/zinc/28/69/15/554286915.db2.gz SNILAEDHFMHLOL-JWQCQUIFSA-N -1 1 518.589 5.760 50 0 KKAAMM CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000100426610 554388733 /nfs/dbraw/zinc/38/87/33/554388733.db2.gz MSAZXDIFZLFFSS-LUQMGZBRSA-N -1 1 598.696 7.296 50 0 biogenic KKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([C@H]4SCC(=O)N4Cc4ccccc4)cc3)cc2)c1 ZINC000059522025 554403332 /nfs/dbraw/zinc/40/33/32/554403332.db2.gz ZWUMKNGKSKBFEZ-WJOKGBTCSA-N -1 1 571.724 6.131 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccccc2F)cc1 ZINC000100617218 554432993 /nfs/dbraw/zinc/43/29/93/554432993.db2.gz WUIUEFNNXXXENW-UHFFFAOYSA-N -1 1 574.612 6.625 50 0 KKAAMM Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C([O-])C(=O)Nc1ccc(F)cc1 ZINC000100742178 554463480 /nfs/dbraw/zinc/46/34/80/554463480.db2.gz GYUZRMZVQNHEET-UHFFFAOYSA-N -1 1 524.577 5.891 50 0 KKAAMM O=c1/c(=C\c2ccc([O-])c(Br)c2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000100956990 554539931 /nfs/dbraw/zinc/53/99/31/554539931.db2.gz XTLUGAKTVXLBGI-ZDGAQAAHSA-N -1 1 549.877 5.440 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289692 554707208 /nfs/dbraw/zinc/70/72/08/554707208.db2.gz FUDBPMBBZUCBEX-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101289917 554707448 /nfs/dbraw/zinc/70/74/48/554707448.db2.gz GEKURBNZFBEVIG-PKTZIBPZSA-N -1 1 523.445 6.171 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000101289882 554707487 /nfs/dbraw/zinc/70/74/87/554707487.db2.gz NCAFUCPLMYBKIO-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1OC ZINC000101289815 554707519 /nfs/dbraw/zinc/70/75/19/554707519.db2.gz ORLZBKYMHZYZHG-ZEQKJWHPSA-N -1 1 563.079 5.844 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290213 554707728 /nfs/dbraw/zinc/70/77/28/554707728.db2.gz IWVXXYRKBVWSRK-KAYWLYCHSA-N -1 1 542.661 5.580 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101290189 554707808 /nfs/dbraw/zinc/70/78/08/554707808.db2.gz HEPKBOKQFUFVDX-RPBOFIJWSA-N -1 1 533.053 5.917 50 0 KKAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F ZINC000101291094 554708271 /nfs/dbraw/zinc/70/82/71/554708271.db2.gz HCHSMBONKRKROV-UHFFFAOYSA-N -1 1 546.443 5.542 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292851 554709461 /nfs/dbraw/zinc/70/94/61/554709461.db2.gz FZGXEXVSKDRDTN-BJKOFHAPSA-N -1 1 555.006 5.805 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1OC ZINC000101292935 554709614 /nfs/dbraw/zinc/70/96/14/554709614.db2.gz VQSAHIXOYIKBJM-SHQCIBLASA-N -1 1 560.651 5.638 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293429 554710065 /nfs/dbraw/zinc/71/00/65/554710065.db2.gz NIIOBXFOWNUIQE-RPBOFIJWSA-N -1 1 550.587 5.160 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101294141 554710548 /nfs/dbraw/zinc/71/05/48/554710548.db2.gz HFXGHFLGFDHHFA-ZEQRLZLVSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101294152 554710584 /nfs/dbraw/zinc/71/05/84/554710584.db2.gz HFXGHFLGFDHHFA-BJKOFHAPSA-N -1 1 553.471 6.180 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101294201 554710807 /nfs/dbraw/zinc/71/08/07/554710807.db2.gz ONPGTSBTLYCDDT-LOSJGSFVSA-N -1 1 551.043 5.974 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)c(OC)c3)s2)cc1 ZINC000101295360 554711946 /nfs/dbraw/zinc/71/19/46/554711946.db2.gz HALYCKBYTJHWQT-SHQCIBLASA-N -1 1 542.661 5.444 50 0 KKAAMM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2c(C)noc2-c2ccc(Cl)cc2)cc1Cl ZINC000101425666 554768448 /nfs/dbraw/zinc/76/84/48/554768448.db2.gz KIEUHTWWTJDPIH-UHFFFAOYSA-N -1 1 521.356 7.195 50 0 KKAAMM COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccc(F)cc2)c1 ZINC000101497761 554786999 /nfs/dbraw/zinc/78/69/99/554786999.db2.gz NFRXHJDTUCCWFK-WRGVRERRSA-N -1 1 514.553 6.249 50 0 KKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000101513364 554793412 /nfs/dbraw/zinc/79/34/12/554793412.db2.gz KHIMMLWGLVHHOK-UHFFFAOYSA-N -1 1 592.725 5.301 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1Cc1ccccc1 ZINC000101860569 554844479 /nfs/dbraw/zinc/84/44/79/554844479.db2.gz IKPKYELHPMYIBQ-UHFFFAOYSA-N -1 1 529.584 5.895 50 0 KKAAMM COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2nocc2-c2cccs2)CC1 ZINC000101917366 554850625 /nfs/dbraw/zinc/85/06/25/554850625.db2.gz WGKOXCCRBQXPEG-UHFFFAOYSA-N -1 1 528.590 5.373 50 0 KKAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4ccccc4F)CC3)no2)cc1 ZINC000101917204 554850698 /nfs/dbraw/zinc/85/06/98/554850698.db2.gz SQZDMKYWELZOMH-UHFFFAOYSA-N -1 1 540.551 5.450 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969323 554854772 /nfs/dbraw/zinc/85/47/72/554854772.db2.gz JBEUIJZXIBZWPM-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969414 554855029 /nfs/dbraw/zinc/85/50/29/554855029.db2.gz HDVWWAGAIOXZIR-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969397 554855076 /nfs/dbraw/zinc/85/50/76/554855076.db2.gz XXYYDKNUKHNYCJ-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969540 554855391 /nfs/dbraw/zinc/85/53/91/554855391.db2.gz RSSHAMFVPJXSIX-CLJLJLNGSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969704 554855531 /nfs/dbraw/zinc/85/55/31/554855531.db2.gz UREJJXNRGWLPDH-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969672 554855691 /nfs/dbraw/zinc/85/56/91/554855691.db2.gz OXZPLGYQBLTDFE-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969974 554856264 /nfs/dbraw/zinc/85/62/64/554856264.db2.gz QBGLZXXJHZKNJE-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970183 554856433 /nfs/dbraw/zinc/85/64/33/554856433.db2.gz XQTIVIIRMYMTQX-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101970108 554856438 /nfs/dbraw/zinc/85/64/38/554856438.db2.gz UWZMNSWPGXJLMG-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000101970163 554856451 /nfs/dbraw/zinc/85/64/51/554856451.db2.gz GQGMJNONMWRHDS-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101970147 554856464 /nfs/dbraw/zinc/85/64/64/554856464.db2.gz SCHWHVQLZZVHIK-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970133 554856493 /nfs/dbraw/zinc/85/64/93/554856493.db2.gz BEMALAIIJYNXAI-XZOQPEGZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101970194 554856510 /nfs/dbraw/zinc/85/65/10/554856510.db2.gz TVRCJLOOMDUYMD-LADGPHEKSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000101970166 554856570 /nfs/dbraw/zinc/85/65/70/554856570.db2.gz GQGMJNONMWRHDS-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970609 554857696 /nfs/dbraw/zinc/85/76/96/554857696.db2.gz ZNHLXQHXHHBMFC-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101970811 554857846 /nfs/dbraw/zinc/85/78/46/554857846.db2.gz WEHUZGZTLFZWDJ-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101970724 554857868 /nfs/dbraw/zinc/85/78/68/554857868.db2.gz VVDJODOZUYQODX-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000101970790 554857974 /nfs/dbraw/zinc/85/79/74/554857974.db2.gz YXGHMHRVTDYHRF-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970861 554858290 /nfs/dbraw/zinc/85/82/90/554858290.db2.gz VGUMZMJKPKWGDG-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000101971105 554858533 /nfs/dbraw/zinc/85/85/33/554858533.db2.gz ZISBBZZCOXOFLP-VPUSJEBWSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000101970998 554858591 /nfs/dbraw/zinc/85/85/91/554858591.db2.gz AONUDCBAFBPMDW-UKILVPOCSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000101971058 554858639 /nfs/dbraw/zinc/85/86/39/554858639.db2.gz SYPNORSLCICOSW-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971503 554859203 /nfs/dbraw/zinc/85/92/03/554859203.db2.gz ZTEJRTNBLKJYBB-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101971638 554859586 /nfs/dbraw/zinc/85/95/86/554859586.db2.gz GIJNQDOGXXAOBN-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971720 554859830 /nfs/dbraw/zinc/85/98/30/554859830.db2.gz GRHTXGKVZHIUPM-FTJBHMTQSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101972245 554860041 /nfs/dbraw/zinc/86/00/41/554860041.db2.gz ZMLAWWTYZRTLGN-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101972380 554860312 /nfs/dbraw/zinc/86/03/12/554860312.db2.gz SDWDXGUDNWHUPA-LOSJGSFVSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101972370 554860442 /nfs/dbraw/zinc/86/04/42/554860442.db2.gz SDWDXGUDNWHUPA-DQEYMECFSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101972663 554860985 /nfs/dbraw/zinc/86/09/85/554860985.db2.gz MAJOGCJQXBKICW-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000101972743 554860993 /nfs/dbraw/zinc/86/09/93/554860993.db2.gz APORHDIACZNIJY-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000101972735 554861059 /nfs/dbraw/zinc/86/10/59/554861059.db2.gz APORHDIACZNIJY-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1F ZINC000101972973 554861648 /nfs/dbraw/zinc/86/16/48/554861648.db2.gz ROTJNFVJCYNRCG-DNQXCXABSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000101973129 554861654 /nfs/dbraw/zinc/86/16/54/554861654.db2.gz VOFFOHVIBOPBTJ-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(OC)c3)nc2[O-])cc1 ZINC000101973151 554861660 /nfs/dbraw/zinc/86/16/60/554861660.db2.gz RPQQMJOTYWJDCC-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1F ZINC000101972962 554861694 /nfs/dbraw/zinc/86/16/94/554861694.db2.gz ROTJNFVJCYNRCG-BJKOFHAPSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)c1 ZINC000101973195 554861971 /nfs/dbraw/zinc/86/19/71/554861971.db2.gz BQVAQLXYBQXKFE-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c1 ZINC000101973238 554862049 /nfs/dbraw/zinc/86/20/49/554862049.db2.gz UPUHOXRZJOOEBE-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101973418 554862308 /nfs/dbraw/zinc/86/23/08/554862308.db2.gz ATLRYIAFWLEYIU-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101973575 554862645 /nfs/dbraw/zinc/86/26/45/554862645.db2.gz ASTDXYDNUJTRTG-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000102043065 554870085 /nfs/dbraw/zinc/87/00/85/554870085.db2.gz DMJIVOAACVKYCF-IYBDPMFKSA-N -1 1 531.783 5.246 50 0 KKAAMM COc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cccc(Cl)c5)cc4)cn3)n2)cc1 ZINC000102278283 554906302 /nfs/dbraw/zinc/90/63/02/554906302.db2.gz IZFVOVAIYAXRAG-UHFFFAOYSA-N -1 1 521.986 5.111 50 0 KKAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)c(Cl)c5)cc4)cn3)n2)c1 ZINC000102278500 554906513 /nfs/dbraw/zinc/90/65/13/554906513.db2.gz GAGKSHBOCANTSA-UHFFFAOYSA-N -1 1 523.977 5.550 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5cccc(F)c5)no4)c3)cc2)cc1Cl ZINC000102278641 554906533 /nfs/dbraw/zinc/90/65/33/554906533.db2.gz IENRAVPSQMXEQT-UHFFFAOYSA-N -1 1 523.977 5.550 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc(OC)c1 ZINC000102412939 554923942 /nfs/dbraw/zinc/92/39/42/554923942.db2.gz TTWMZVOKLUEMCY-XMMPIXPASA-N -1 1 626.554 7.212 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl ZINC000102436431 554928263 /nfs/dbraw/zinc/92/82/63/554928263.db2.gz QAOLENUWZVRXDD-ZEQRLZLVSA-N -1 1 505.405 6.155 50 0 KKAAMM COc1ccc(-n2c([O-])c(Cc3ccccc3)c(=O)nc2SCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000102533109 554954732 /nfs/dbraw/zinc/95/47/32/554954732.db2.gz OSSLRVPNWZFIKZ-UHFFFAOYSA-N -1 1 552.450 5.031 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000102697348 555011939 /nfs/dbraw/zinc/01/19/39/555011939.db2.gz XRTRWZAHKQTWPE-OPYAIIAOSA-N -1 1 533.717 6.011 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102758716 555050663 /nfs/dbraw/zinc/05/06/63/555050663.db2.gz DMHNEUYLYCQTPN-JFHPUIQFSA-N -1 1 534.612 6.024 50 0 KKAAMM CC(=O)N1CCN(C(=O)c2ccc(NCCc3ccc(Cl)cc3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000102769940 555057175 /nfs/dbraw/zinc/05/71/75/555057175.db2.gz PETXUWSJLUOPSF-UHFFFAOYSA-N -1 1 609.070 5.119 50 0 KKAAMM CC(=O)Oc1c(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(-c2ccc(N(C)C)cc2)nn1-c1ccc(C)cc1C ZINC000102773661 555062265 /nfs/dbraw/zinc/06/22/65/555062265.db2.gz KMALIWMJJOFSIW-UHFFFAOYSA-N -1 1 594.737 6.924 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810355 555074568 /nfs/dbraw/zinc/07/45/68/555074568.db2.gz BNVWSFZPBRAMKV-ZEQRLZLVSA-N -1 1 555.462 6.619 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810752 555074784 /nfs/dbraw/zinc/07/47/84/555074784.db2.gz LFVFZLGGRORNQB-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000102810944 555074842 /nfs/dbraw/zinc/07/48/42/555074842.db2.gz FFPFTWNYRGBWPC-UIOOFZCWSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810648 555074859 /nfs/dbraw/zinc/07/48/59/555074859.db2.gz LVZRSAVRIUJDJA-LOSJGSFVSA-N -1 1 551.043 5.974 50 0 KKAAMM COc1ccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1 ZINC000102873084 555103509 /nfs/dbraw/zinc/10/35/09/555103509.db2.gz NLORLFLVEPGGLE-HSZRJFAPSA-N -1 1 596.528 7.203 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccnc1Cl)c1cccnc1Cl ZINC000102930752 555157647 /nfs/dbraw/zinc/15/76/47/555157647.db2.gz LDAUJPUEXGBIAI-UHFFFAOYSA-N -1 1 576.849 5.742 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3[C@H](C)CCCC(C)C)c2)cc1 ZINC000102930908 555157987 /nfs/dbraw/zinc/15/79/87/555157987.db2.gz 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ZINC000103001930 555201645 /nfs/dbraw/zinc/20/16/45/555201645.db2.gz BZRKKEGGOQVVIM-UHFFFAOYSA-N -1 1 523.964 5.122 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2N2CCOCC2)cc1 ZINC000103011950 555206712 /nfs/dbraw/zinc/20/67/12/555206712.db2.gz OLMBUHSVPAWPNF-UHFFFAOYSA-N -1 1 543.645 5.252 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3nc4ccccc4s3)ccc2N2CCCC2)cc1 ZINC000103049462 555231533 /nfs/dbraw/zinc/23/15/33/555231533.db2.gz BBCDIBZIQNVFQF-UHFFFAOYSA-N -1 1 536.679 5.277 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1cccc2ccccc21 ZINC000103049750 555231936 /nfs/dbraw/zinc/23/19/36/555231936.db2.gz DVBHEKWYLUTIRW-UHFFFAOYSA-N -1 1 539.579 6.512 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000103050101 555232527 /nfs/dbraw/zinc/23/25/27/555232527.db2.gz WYUJDILJRIBOBB-UHFFFAOYSA-N -1 1 548.130 6.117 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000103050109 555232530 /nfs/dbraw/zinc/23/25/30/555232530.db2.gz HQFDIWABOMQFFW-UHFFFAOYSA-N -1 1 598.726 5.008 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C[C@H](C)CC2 ZINC000103098473 555275715 /nfs/dbraw/zinc/27/57/15/555275715.db2.gz VKYRIPNKPRTPEP-HZPDHXFCSA-N -1 1 606.669 5.313 50 0 KKAAMM O=C1N(Cc2cccc(OC(F)(F)F)c2)CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000103175710 555326944 /nfs/dbraw/zinc/32/69/44/555326944.db2.gz VILHOQQCFMKWRH-UHFFFAOYSA-N -1 1 539.963 5.872 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000103382751 555372378 /nfs/dbraw/zinc/37/23/78/555372378.db2.gz RHPUOSVEOCNXAY-UHFFFAOYSA-N -1 1 606.125 6.447 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103410290 555396727 /nfs/dbraw/zinc/39/67/27/555396727.db2.gz POQGFUROLZDOTO-UHFFFAOYSA-N -1 1 559.644 5.924 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccccc4)c3)C(=O)N(c3cc(C)ccc3OC)C2=O)cc1 ZINC000103439484 555419449 /nfs/dbraw/zinc/41/94/49/555419449.db2.gz HVGDDBAPXJASJW-UHFFFAOYSA-N -1 1 601.706 5.802 50 0 KKAAMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000104857769 571387042 /nfs/dbraw/zinc/38/70/42/571387042.db2.gz VFCOKLXUOGGRQP-UHFFFAOYSA-N -1 1 531.600 6.482 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(SCC(=O)c4ccc5c(c4)NC(=O)CO5)n3Cc3ccccc3)c2)cc1 ZINC000150386608 571469399 /nfs/dbraw/zinc/46/93/99/571469399.db2.gz MPGLKYGTFIJKBY-UHFFFAOYSA-N -1 1 641.731 5.109 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)C2=O)c1 ZINC000150386763 571469471 /nfs/dbraw/zinc/46/94/71/571469471.db2.gz JQMHFJIETBAFIQ-OFWBYEQRSA-N -1 1 710.794 5.344 50 0 KKAAMM CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl ZINC000150391931 571474158 /nfs/dbraw/zinc/47/41/58/571474158.db2.gz IKDAJLNYFYXVDA-UHFFFAOYSA-N -1 1 629.938 5.554 50 0 KKAAMM CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(N3N=C(N4CCCC4)C(=S4N=N[N-]N4c4ccccc4)C3=O)cc2)c(C(C)(C)CC)c1 ZINC000150407685 571480227 /nfs/dbraw/zinc/48/02/27/571480227.db2.gz JDXYEFSDSSLJAF-QCUSNOCPSA-N -1 1 710.949 8.503 50 0 KKAAMM COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000150436949 571496360 /nfs/dbraw/zinc/49/63/60/571496360.db2.gz WLEJTKZYOOAAHB-VVNKCDPRSA-N -1 1 671.354 5.400 50 0 KKAAMM O=C(NCCc1ccccc1Cl)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000150447377 571501340 /nfs/dbraw/zinc/50/13/40/571501340.db2.gz OXAYZSXHLKBELA-QPPBQGQZSA-N -1 1 637.589 5.552 50 0 KKAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1 ZINC000150452369 571503217 /nfs/dbraw/zinc/50/32/17/571503217.db2.gz CICFXDRYPSUOJW-UHFFFAOYSA-N -1 1 624.922 5.227 50 0 KKAAMM O=C(NCc1c(F)cc(F)cc1F)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000150458147 571505517 /nfs/dbraw/zinc/50/55/17/571505517.db2.gz FHUPZUVWWLINKN-QUCCMNQESA-N -1 1 643.087 5.274 50 0 KKAAMM CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000225927010 572084165 /nfs/dbraw/zinc/08/41/65/572084165.db2.gz MSAZXDIFZLFFSS-NSYIEMIKSA-N -1 1 598.696 7.296 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OC)c(OC(C)C)c2)cc1OC ZINC000263585415 572118096 /nfs/dbraw/zinc/11/80/96/572118096.db2.gz IHYUCPYKBNICIV-SFHVURJKSA-N -1 1 532.545 5.420 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cccc(OC)c2OCCc2ccccc2)cc1OC ZINC000263586159 572122156 /nfs/dbraw/zinc/12/21/56/572122156.db2.gz QTGDWWJFEXBDQH-HSZRJFAPSA-N -1 1 594.616 6.254 50 0 KKAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226917696 572145382 /nfs/dbraw/zinc/14/53/82/572145382.db2.gz KWKZEBNITZMECM-OJDZSJEKSA-N -1 1 534.612 6.024 50 0 KKAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227065223 572148046 /nfs/dbraw/zinc/14/80/46/572148046.db2.gz XDLGDMKLZCIDCX-ZGIBFIJWSA-N -1 1 552.558 5.413 50 0 KKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000227154657 572151175 /nfs/dbraw/zinc/15/11/75/572151175.db2.gz HDDNJOFSLZFHNH-UHFFFAOYSA-N -1 1 562.138 5.627 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238950187 572189438 /nfs/dbraw/zinc/18/94/38/572189438.db2.gz WXIZXILJEQMMHV-BZBHIZKWSA-N -1 1 680.926 10.498 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238950187 572189442 /nfs/dbraw/zinc/18/94/42/572189442.db2.gz WXIZXILJEQMMHV-BZBHIZKWSA-N -1 1 680.926 10.498 50 0 KKAAMM O=C(C[C@@H]1c2cc3ccccc3nc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21)N1CCCCC1 ZINC000253401789 572285372 /nfs/dbraw/zinc/28/53/72/572285372.db2.gz FVNZJPOSDHAMKV-OAQYLSRUSA-N -1 1 518.569 6.354 50 0 KKAAMM O=C(C[C@@H]1c2cc3ccccc3nc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21)N1CCCCC1 ZINC000253401789 572285374 /nfs/dbraw/zinc/28/53/74/572285374.db2.gz FVNZJPOSDHAMKV-OAQYLSRUSA-N -1 1 518.569 6.354 50 0 KKAAMM C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 ZINC000254843321 572303774 /nfs/dbraw/zinc/30/37/74/572303774.db2.gz LFQUEZXNGIVXPA-QAAILPFWSA-N -1 1 665.042 9.130 50 0 KKAAMM O=C(/C=C\c1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000102999433 1069852934 /nfs/dbraw/zinc/85/29/34/1069852934.db2.gz DXWYXHJQXAQDNR-SGAXSIHGSA-N -1 1 516.233 6.753 50 0 KKAAMM O=C(NCc1cccnc1)c1cc(NCc2ccccc2-c2ccco2)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000102388811 1069855645 /nfs/dbraw/zinc/85/56/45/1069855645.db2.gz CZJWYOIKRVQMRW-UHFFFAOYSA-N -1 1 538.629 5.685 50 0 KKAAMM O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000102574784 1069860431 /nfs/dbraw/zinc/86/04/31/1069860431.db2.gz ODGYVEIMNPMZJV-AREMUKBSSA-N -1 1 593.588 5.500 50 0 KKAAMM O=C(C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000102574784 1069860444 /nfs/dbraw/zinc/86/04/44/1069860444.db2.gz ODGYVEIMNPMZJV-AREMUKBSSA-N -1 1 593.588 5.500 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005224992 1071059841 /nfs/dbraw/zinc/05/98/41/1071059841.db2.gz BJNLEXZEHFYGDD-NRFANRHFSA-N -1 1 501.535 5.207 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000005224992 1071059846 /nfs/dbraw/zinc/05/98/46/1071059846.db2.gz BJNLEXZEHFYGDD-NRFANRHFSA-N -1 1 501.535 5.207 50 0 KKAAMM CSc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc2Cl)cc1 ZINC000102993450 1071080601 /nfs/dbraw/zinc/08/06/01/1071080601.db2.gz ZUEWXAJOMHPYIA-PQMHYQBVSA-N -1 1 584.888 6.119 50 0 KKAAMM CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097984214 1071162634 /nfs/dbraw/zinc/16/26/34/1071162634.db2.gz QZBIGHDOKBRURE-BLYFRCJBSA-N -1 1 670.231 8.375 50 0 KKAAMM COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc(-c3cccc(C(=O)[O-])c3)o2)CC(=O)O4)cc1O ZINC000217792208 1071292997 /nfs/dbraw/zinc/29/29/97/1071292997.db2.gz CFZZBVACXHHQSM-KRWDZBQOSA-N -1 1 540.480 5.279 50 0 biogenic KKAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(N=C2C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)c1 ZINC000254292699 1072844193 /nfs/dbraw/zinc/84/41/93/1072844193.db2.gz XVJVHFTULSJNKR-LJAQVGFWSA-N -1 1 515.034 6.588 50 0 KKAAMM O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000254593891 1072866488 /nfs/dbraw/zinc/86/64/88/1072866488.db2.gz PEOGDXFXYYNHEV-UHFFFAOYSA-N -1 1 546.461 5.758 50 0 KKAAMM CC(CCc1ccc2c(c1)OCO2)N=Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000254700612 1072870234 /nfs/dbraw/zinc/87/02/34/1072870234.db2.gz UNNWVNZYNHSRFS-UHFFFAOYSA-N -1 1 516.963 5.198 50 0 KKAAMM CCN(CC)c1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c(O)c1 ZINC000254699455 1072870308 /nfs/dbraw/zinc/87/03/08/1072870308.db2.gz VVHLVOWKTCMEJF-UHFFFAOYSA-N -1 1 517.995 5.047 50 0 KKAAMM O=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000254710355 1072871955 /nfs/dbraw/zinc/87/19/55/1072871955.db2.gz DITRLUBKNBYJPL-MHZLTWQESA-N -1 1 532.021 5.799 50 0 KKAAMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1cc(Br)c([O-])c(Br)c1 ZINC000254745717 1072875738 /nfs/dbraw/zinc/87/57/38/1072875738.db2.gz VMYRBJZYVBNHMH-UHFFFAOYSA-N -1 1 604.664 5.726 50 0 KKAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc2-3)c1 ZINC000000626075 551503725 /nfs/dbraw/zinc/50/37/25/551503725.db2.gz OMTDIINKTIHGGT-UHFFFAOYSA-N -1 1 546.670 5.733 50 0 KKAAMM COc1cc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000682609 551524951 /nfs/dbraw/zinc/52/49/51/551524951.db2.gz MMENCLPMUQIAFB-UHFFFAOYSA-N -1 1 552.674 5.589 50 0 KKAAMM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000001008215 551596490 /nfs/dbraw/zinc/59/64/90/551596490.db2.gz ROYNWCPAIRSPOG-DHDCSXOGSA-N -1 1 570.259 5.299 50 0 KKAAMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000001059287 551600548 /nfs/dbraw/zinc/60/05/48/551600548.db2.gz GCQALABDLGFBJN-UHFFFAOYSA-N -1 1 500.548 5.233 50 0 KKAAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000001259063 551633605 /nfs/dbraw/zinc/63/36/05/551633605.db2.gz CHHCQTYTAZDVOS-KWMCUTETSA-N -1 1 502.592 6.172 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001322809 551642066 /nfs/dbraw/zinc/64/20/66/551642066.db2.gz VKYYZPMKCOBDIH-VKGTZQKMSA-N -1 1 514.534 5.481 50 0 KKAAMM COc1cc(-c2ccc(NC(=O)c3cc4ccccc4cc3O)c(OC)c2)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000001669831 551688528 /nfs/dbraw/zinc/68/85/28/551688528.db2.gz AXUHYNGMYQMRRI-UHFFFAOYSA-N -1 1 584.628 7.593 50 0 KKAAMM CC(=O)c1c(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000001773920 551697087 /nfs/dbraw/zinc/69/70/87/551697087.db2.gz OKTRAJKEDHGONO-UHFFFAOYSA-N -1 1 580.772 6.785 50 0 KKAAMM Cc1ccc(SCc2cc(=O)[n-]c(SCC(=O)N3c4ccccc4[C@@](C)(c4ccccc4)CC3(C)C)n2)cc1 ZINC000001875009 551721590 /nfs/dbraw/zinc/72/15/90/551721590.db2.gz FMLVTWXWTNPIEZ-JGCGQSQUSA-N -1 1 555.769 7.397 50 0 KKAAMM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)c([O-])c2)cc1 ZINC000002238786 551798759 /nfs/dbraw/zinc/79/87/59/551798759.db2.gz VKJONBOQTOBORP-UHFFFAOYSA-N -1 1 503.624 6.630 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])ncnc1C(F)(F)F ZINC000002241732 551799358 /nfs/dbraw/zinc/79/93/58/551799358.db2.gz OCMBGPZBNUNREF-UHFFFAOYSA-N -1 1 531.328 6.885 50 0 KKAAMM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000002633814 552140532 /nfs/dbraw/zinc/14/05/32/552140532.db2.gz DSTVHWSQOYIXEX-UHFFFAOYSA-N -1 1 545.539 5.942 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cn2cc(Br)cn2)o1 ZINC000002762353 552182990 /nfs/dbraw/zinc/18/29/90/552182990.db2.gz ZROFAKSIGOXUTJ-UHFFFAOYSA-N -1 1 570.252 5.647 50 0 KKAAMM Cc1ccccc1-n1c2nc(SCc3cc(=O)oc4cc([O-])ccc34)n(-c3ccccc3)c(=O)c2sc1=S ZINC000003043148 552274097 /nfs/dbraw/zinc/27/40/97/552274097.db2.gz ZBHJTKJUFJQHDO-UHFFFAOYSA-N -1 1 557.678 6.380 50 0 KKAAMM O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003175752 552299789 /nfs/dbraw/zinc/29/97/89/552299789.db2.gz NRSWPLGJPDQRLN-UHFFFAOYSA-N -1 1 548.231 5.366 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)N3c4ccccc4Sc4ccccc43)ccc2C)c1 ZINC000003262252 552326768 /nfs/dbraw/zinc/32/67/68/552326768.db2.gz UWQOHJAZMLQVSG-UHFFFAOYSA-N -1 1 544.654 6.091 50 0 KKAAMM CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000003311110 552351935 /nfs/dbraw/zinc/35/19/35/552351935.db2.gz FJSZBTKGEXCMOI-UHFFFAOYSA-N -1 1 584.647 5.801 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000003368449 552374252 /nfs/dbraw/zinc/37/42/52/552374252.db2.gz BRBXETAIWCHBTP-UHFFFAOYSA-N -1 1 513.615 7.354 50 0 KKAAMM COc1cc(OC)nc([C@H](Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc2)n1 ZINC000004642522 552470350 /nfs/dbraw/zinc/47/03/50/552470350.db2.gz VVAZFPGHJNFCOM-HHHXNRCGSA-N -1 1 549.718 6.474 50 0 KKAAMM COc1cc(OC)nc([C@@H](Sc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc2)n1 ZINC000004642521 552470444 /nfs/dbraw/zinc/47/04/44/552470444.db2.gz VVAZFPGHJNFCOM-MHZLTWQESA-N -1 1 549.718 6.474 50 0 KKAAMM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2Cl)cc1 ZINC000005940830 552513663 /nfs/dbraw/zinc/51/36/63/552513663.db2.gz CRYXYJGOASJHDZ-QGZVFWFLSA-N -1 1 501.004 5.196 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000006235162 552572017 /nfs/dbraw/zinc/57/20/17/552572017.db2.gz VWTUGJMORUGBQU-BGYRXZFFSA-N -1 1 526.102 6.438 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000006235167 552572062 /nfs/dbraw/zinc/57/20/62/552572062.db2.gz BGWVUMDWXBNVTR-WOJBJXKFSA-N -1 1 559.654 6.803 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008396358 552995394 /nfs/dbraw/zinc/99/53/94/552995394.db2.gz CQGBKSMYEIAPFB-UHFFFAOYSA-N -1 1 577.084 7.499 50 0 KKAAMM COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(Br)c(Br)c1[O-] ZINC000008396747 552995831 /nfs/dbraw/zinc/99/58/31/552995831.db2.gz DXQHPQPGWPRJEE-LHSJRXKWSA-N -1 1 536.245 6.230 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3N=C(c4c(=O)[nH]c5ccc(Br)cc5c4-c4ccccc4)C[C@H]3c3ccc(Br)cc3)cc2)cc1 ZINC000008398802 552999821 /nfs/dbraw/zinc/99/98/21/552999821.db2.gz BMORADAXIPZKFE-UMSFTDKQSA-N -1 1 796.541 8.821 50 0 KKAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2N2CCC(C)CC2)c(C)c1 ZINC000008813126 553150574 /nfs/dbraw/zinc/15/05/74/553150574.db2.gz YIGBSPLNZLJJFF-UHFFFAOYSA-N -1 1 533.760 5.070 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934125 553192680 /nfs/dbraw/zinc/19/26/80/553192680.db2.gz SYMGREPVKVLPTQ-JOCHJYFZSA-N -1 1 517.388 6.603 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4Cl)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000009409923 553257185 /nfs/dbraw/zinc/25/71/85/553257185.db2.gz LSALCRPXZFWQLQ-UHFFFAOYSA-N -1 1 516.903 6.785 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000009432161 553261301 /nfs/dbraw/zinc/26/13/01/553261301.db2.gz VELHCAJHHHCWLD-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000009432150 553261322 /nfs/dbraw/zinc/26/13/22/553261322.db2.gz JMFBYYCWIZEXNI-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000009432151 553261377 /nfs/dbraw/zinc/26/13/77/553261377.db2.gz XLHUGCIKYZNQDF-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432177 553261581 /nfs/dbraw/zinc/26/15/81/553261581.db2.gz PBQZUEMBZMLVIP-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432194 553261622 /nfs/dbraw/zinc/26/16/22/553261622.db2.gz QFHWJXCLJSDMIK-KAYWLYCHSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432192 553261651 /nfs/dbraw/zinc/26/16/51/553261651.db2.gz QFHWJXCLJSDMIK-SXOMAYOGSA-N -1 1 510.663 6.098 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)c1 ZINC000009432238 553261926 /nfs/dbraw/zinc/26/19/26/553261926.db2.gz NLEBESCCERWJSL-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432212 553261932 /nfs/dbraw/zinc/26/19/32/553261932.db2.gz ZWHPNWDDSDDYRV-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432277 553262101 /nfs/dbraw/zinc/26/21/01/553262101.db2.gz CGDXLLWJNXKQLS-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432280 553262178 /nfs/dbraw/zinc/26/21/78/553262178.db2.gz CGDXLLWJNXKQLS-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009432248 553262242 /nfs/dbraw/zinc/26/22/42/553262242.db2.gz UJJIFHBNIVCKAX-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000009432297 553262368 /nfs/dbraw/zinc/26/23/68/553262368.db2.gz MTJVMNJNJOEMJG-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000009432290 553262375 /nfs/dbraw/zinc/26/23/75/553262375.db2.gz FGWWFKDRHWCBSO-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000009432291 553262426 /nfs/dbraw/zinc/26/24/26/553262426.db2.gz FGWWFKDRHWCBSO-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432285 553262449 /nfs/dbraw/zinc/26/24/49/553262449.db2.gz UVROHKZUUBWYOY-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000009432313 553262701 /nfs/dbraw/zinc/26/27/01/553262701.db2.gz ALPAYZTXJCMBRV-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000009445303 553265035 /nfs/dbraw/zinc/26/50/35/553265035.db2.gz QCMIJISPRCFUGK-KRWDZBQOSA-N -1 1 507.637 5.484 50 0 KKAAMM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2Cl)s1 ZINC000009597250 553283551 /nfs/dbraw/zinc/28/35/51/553283551.db2.gz VGLAOZZZHNBDEF-UPVQGACJSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009597376 553283808 /nfs/dbraw/zinc/28/38/08/553283808.db2.gz DSZXWLFSRIZUAJ-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccc(C)cc3Cl)[n-]2)cc1 ZINC000012112532 553351499 /nfs/dbraw/zinc/35/14/99/553351499.db2.gz HBOKXIHSVJTLJG-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2N2CCCCC2)cc1 ZINC000012542910 553390999 /nfs/dbraw/zinc/39/09/99/553390999.db2.gz KZZTWTROJPTABT-UHFFFAOYSA-N -1 1 523.699 5.641 50 0 KKAAMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000012555098 553393147 /nfs/dbraw/zinc/39/31/47/553393147.db2.gz KEWRDKZKRPQSAH-UHFFFAOYSA-N -1 1 502.665 6.339 50 0 KKAAMM Cc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3[O-])c3ccccc3n2)cc1 ZINC000012563283 553395569 /nfs/dbraw/zinc/39/55/69/553395569.db2.gz UHRCFBVPWHXXKS-UHFFFAOYSA-N -1 1 501.608 5.343 50 0 KKAAMM COc1ccc(-c2cc(C(=O)OCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)c3ccccc3n2)cc1 ZINC000012566555 553397174 /nfs/dbraw/zinc/39/71/74/553397174.db2.gz MJLZUYBVFKIMMM-UHFFFAOYSA-N -1 1 519.582 6.232 50 0 KKAAMM O=C(NCC1CCC(C(=O)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)CC1)OCc1ccccc1 ZINC000012871961 553424182 /nfs/dbraw/zinc/42/41/82/553424182.db2.gz JSVVVFVSTMDBEL-UHFFFAOYSA-N -1 1 527.573 5.804 50 0 biogenic KKAAMM O=C(NCC1CCC(C(=O)Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)CC1)OCc1ccccc1 ZINC000012871961 553424183 /nfs/dbraw/zinc/42/41/83/553424183.db2.gz JSVVVFVSTMDBEL-UHFFFAOYSA-N -1 1 527.573 5.804 50 0 biogenic KKAAMM COc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1OC ZINC000013937392 553495939 /nfs/dbraw/zinc/49/59/39/553495939.db2.gz PESCFJYMORQOPT-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM Cc1ccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)c2)c(C)c1 ZINC000015913495 553542103 /nfs/dbraw/zinc/54/21/03/553542103.db2.gz LMKQNLQBWLQZAP-UHFFFAOYSA-N -1 1 500.686 5.819 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000020135315 553593548 /nfs/dbraw/zinc/59/35/48/553593548.db2.gz ZYTGUKVOUUUWPS-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(Cl)cc1Cl ZINC000018152002 553606246 /nfs/dbraw/zinc/60/62/46/553606246.db2.gz QAOLENUWZVRXDD-DNQXCXABSA-N -1 1 505.405 6.155 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490502 553660282 /nfs/dbraw/zinc/66/02/82/553660282.db2.gz DIARCSKNTKSRMF-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490576 553660710 /nfs/dbraw/zinc/66/07/10/553660710.db2.gz AMQARNOOQLZPGV-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000020490632 553661191 /nfs/dbraw/zinc/66/11/91/553661191.db2.gz ORMXBYKDBYQCEH-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490626 553661271 /nfs/dbraw/zinc/66/12/71/553661271.db2.gz WRPSQSXOMZCPMS-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490690 553661631 /nfs/dbraw/zinc/66/16/31/553661631.db2.gz JPCYLEYOLHUXDK-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000020490755 553662103 /nfs/dbraw/zinc/66/21/03/553662103.db2.gz BAWMNCLPBFPZRQ-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000020490842 553662391 /nfs/dbraw/zinc/66/23/91/553662391.db2.gz DXXYOBFZJITUIW-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000020490783 553662408 /nfs/dbraw/zinc/66/24/08/553662408.db2.gz NHCCOGMQPXENIB-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490803 553662475 /nfs/dbraw/zinc/66/24/75/553662475.db2.gz SZJYVLDUBHCXLT-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490891 553662890 /nfs/dbraw/zinc/66/28/90/553662890.db2.gz PMGOROWVTCHDKS-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490966 553663199 /nfs/dbraw/zinc/66/31/99/553663199.db2.gz URGKPIKEVZIJCN-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490958 553663275 /nfs/dbraw/zinc/66/32/75/553663275.db2.gz QIWOJPPUVCUHNC-NOZRDPDXSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490928 553663314 /nfs/dbraw/zinc/66/33/14/553663314.db2.gz YKMMZLAVIHGLEM-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490980 553663752 /nfs/dbraw/zinc/66/37/52/553663752.db2.gz BDWDECTYOXTUTC-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020491037 553664063 /nfs/dbraw/zinc/66/40/63/553664063.db2.gz UFTDCDJMMCDHKB-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491218 553664378 /nfs/dbraw/zinc/66/43/78/553664378.db2.gz GAOBVNDDBUTYPI-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491266 553664771 /nfs/dbraw/zinc/66/47/71/553664771.db2.gz LDPVOHJZQGZXCF-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491226 553664891 /nfs/dbraw/zinc/66/48/91/553664891.db2.gz JIZFZYKRQPOILX-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491406 553665174 /nfs/dbraw/zinc/66/51/74/553665174.db2.gz PMYYDFJUWLWKIW-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020491390 553665236 /nfs/dbraw/zinc/66/52/36/553665236.db2.gz NDCYAVFIWPMLDO-FTJBHMTQSA-N -1 1 512.635 5.572 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903643 553701825 /nfs/dbraw/zinc/70/18/25/553701825.db2.gz CNRBTTQPSPNVQX-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000020903809 553702661 /nfs/dbraw/zinc/70/26/61/553702661.db2.gz SGEPEDFJPZLHSC-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020903803 553702688 /nfs/dbraw/zinc/70/26/88/553702688.db2.gz QEPKZKSSNHUSPH-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000020903935 553702979 /nfs/dbraw/zinc/70/29/79/553702979.db2.gz AHJCWDQZPSDSKE-UNMCSNQZSA-N -1 1 509.056 5.888 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904024 553703205 /nfs/dbraw/zinc/70/32/05/553703205.db2.gz JNSYLBRMPKFHDG-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000020904054 553703503 /nfs/dbraw/zinc/70/35/03/553703503.db2.gz UCMAUUMULGYTCJ-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000020904050 553703615 /nfs/dbraw/zinc/70/36/15/553703615.db2.gz UCMAUUMULGYTCJ-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020904062 553703709 /nfs/dbraw/zinc/70/37/09/553703709.db2.gz DIVNVEFPIVNRPM-RRPNLBNLSA-N -1 1 526.662 5.798 50 0 KKAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1ccc(Oc2ccccc2)cc1 ZINC000021810366 553717417 /nfs/dbraw/zinc/71/74/17/553717417.db2.gz YJEWKVAVTGEMOM-UHFFFAOYSA-N -1 1 516.598 5.403 50 0 KKAAMM CC(C)(C)P(=NC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)(N1CCCCCC1)N1CCCCCC1 ZINC000096022682 553722156 /nfs/dbraw/zinc/72/21/56/553722156.db2.gz YIWSWJPFGRZRRK-UHFFFAOYSA-N -1 1 624.257 8.419 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000029748856 553850191 /nfs/dbraw/zinc/85/01/91/553850191.db2.gz UFGZCDOLAAPYSR-UHFFFAOYSA-N -1 1 734.872 5.152 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2NCCc2ccc(OC)c(OC)c2)c1 ZINC000029748840 553850196 /nfs/dbraw/zinc/85/01/96/553850196.db2.gz GFPVMFNJPNGMHA-SZPZYZBQSA-N -1 1 581.735 5.286 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccccc4NS(=O)(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1 ZINC000097961249 553876366 /nfs/dbraw/zinc/87/63/66/553876366.db2.gz WLVBQOZESLYTKR-UHFFFAOYSA-N -1 1 758.922 8.693 50 0 KKAAMM CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000097965182 553903385 /nfs/dbraw/zinc/90/33/85/553903385.db2.gz QZBIGHDOKBRURE-CGFAQTSMSA-N -1 1 670.231 8.375 50 0 KKAAMM CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097965184 553903437 /nfs/dbraw/zinc/90/34/37/553903437.db2.gz QZBIGHDOKBRURE-MCMSANRSSA-N -1 1 670.231 8.375 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(F)cc6)CCC[C@H]5[C@H]4c4ccc(F)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965231 553903944 /nfs/dbraw/zinc/90/39/44/553903944.db2.gz KBZNQVPRYMNITJ-HGNOXNEPSA-N -1 1 651.779 9.824 50 0 KKAAMM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)NC(=S)N(c4ccc5ccccc5c4)C3=O)o2)cc1Cl ZINC000033343083 553921761 /nfs/dbraw/zinc/92/17/61/553921761.db2.gz QCYPXGCEWPQWCQ-MOSHPQCFSA-N -1 1 502.935 6.123 50 0 KKAAMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000033356359 553940954 /nfs/dbraw/zinc/94/09/54/553940954.db2.gz HWQJTAPFRHBKIJ-SFHVURJKSA-N -1 1 526.949 5.022 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357631 553949687 /nfs/dbraw/zinc/94/96/87/553949687.db2.gz PEKCLHBZMYJWHX-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000033357633 553949773 /nfs/dbraw/zinc/94/97/73/553949773.db2.gz PEKCLHBZMYJWHX-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000033358179 553953452 /nfs/dbraw/zinc/95/34/52/553953452.db2.gz GECZIKUJKAEDJS-UHFFFAOYSA-N -1 1 608.614 5.172 50 0 KKAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl)C1CCCCC1 ZINC000097982334 554001197 /nfs/dbraw/zinc/00/11/97/554001197.db2.gz FVUHFKFCDMSEIP-UHFFFAOYSA-N -1 1 534.075 5.849 50 0 KKAAMM O=C(NCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000097983994 554013646 /nfs/dbraw/zinc/01/36/46/554013646.db2.gz AJXOAIIRVDHWBI-UHFFFAOYSA-N -1 1 714.666 5.486 50 0 KKAAMM CCc1ccc(-c2nc3c(c(=O)[n-]2)CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC3)cc1 ZINC000035829316 554079604 /nfs/dbraw/zinc/07/96/04/554079604.db2.gz NRZXKCITHUHYJW-UHFFFAOYSA-N -1 1 510.438 5.627 50 0 KKAAMM Cc1cccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000035910490 554094263 /nfs/dbraw/zinc/09/42/63/554094263.db2.gz MHWYSQDLAZAERY-JOCHJYFZSA-N -1 1 503.443 5.337 50 0 KKAAMM CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910521 554094510 /nfs/dbraw/zinc/09/45/10/554094510.db2.gz FQPWBJHNBLZZFQ-MHZLTWQESA-N -1 1 508.709 6.687 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000035910965 554094536 /nfs/dbraw/zinc/09/45/36/554094536.db2.gz LDLMWCPHAKOPRS-QFIPXVFZSA-N -1 1 503.443 5.337 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000035912472 554096043 /nfs/dbraw/zinc/09/60/43/554096043.db2.gz BQIPKAHKEFORMR-HHHXNRCGSA-N -1 1 504.633 5.818 50 0 KKAAMM O=C(Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1cc(I)ccc1I ZINC000098050512 554175184 /nfs/dbraw/zinc/17/51/84/554175184.db2.gz KYXGSXJVEVQUBU-UHFFFAOYSA-N -1 1 598.203 6.130 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2)cc1 ZINC000100065329 554199502 /nfs/dbraw/zinc/19/95/02/554199502.db2.gz ZUATWOIFUGKFDO-UHFFFAOYSA-N -1 1 542.639 6.845 50 0 KKAAMM Cc1ccc(C(NC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000100234263 554257998 /nfs/dbraw/zinc/25/79/98/554257998.db2.gz WDZDBCVDBMWMAM-DHUJRADRSA-N -1 1 582.700 6.868 50 0 KKAAMM COC(=O)CN[C@H](c1ccccc1Cl)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000038152586 554272819 /nfs/dbraw/zinc/27/28/19/554272819.db2.gz KMJDKXGCJYAODA-HSZRJFAPSA-N -1 1 537.863 5.064 50 0 aggregator KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000040484974 554287045 /nfs/dbraw/zinc/28/70/45/554287045.db2.gz KCKXPHAUOKMGQA-CLJLJLNGSA-N -1 1 514.626 5.874 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000040484961 554287110 /nfs/dbraw/zinc/28/71/10/554287110.db2.gz XWGDYRGPZWFLEK-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CN(Cc1ccccc1)Cc1ccccc1 ZINC000055464307 554350746 /nfs/dbraw/zinc/35/07/46/554350746.db2.gz NBVQRERKUSTNQC-UHFFFAOYSA-N -1 1 507.428 6.026 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100427215 554389832 /nfs/dbraw/zinc/38/98/32/554389832.db2.gz ONNWDLRHHCJWMK-UGDMGKLASA-N -1 1 510.590 6.419 50 0 KKAAMM Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@H]3c3ccccc3Cl)C2)cc1 ZINC000100429348 554390300 /nfs/dbraw/zinc/39/03/00/554390300.db2.gz WYVYRIZXXCHNNX-KEEVHDRGSA-N -1 1 515.009 7.063 50 0 KKAAMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059652436 554419839 /nfs/dbraw/zinc/41/98/39/554419839.db2.gz XCSCNRMUBPELBY-UHFFFAOYSA-N -1 1 614.145 5.682 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000100727404 554457794 /nfs/dbraw/zinc/45/77/94/554457794.db2.gz CZKTYPOIXMVYQB-UEXGIBASSA-N -1 1 543.723 5.466 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCc2ccc(Br)cc2)s1 ZINC000100816007 554476485 /nfs/dbraw/zinc/47/64/85/554476485.db2.gz DOUOHXIPZXDINN-UHFFFAOYSA-N -1 1 521.849 6.462 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289685 554707172 /nfs/dbraw/zinc/70/71/72/554707172.db2.gz FUDBPMBBZUCBEX-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289763 554707262 /nfs/dbraw/zinc/70/72/62/554707262.db2.gz PRYQXODTZYFFOR-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101289989 554707396 /nfs/dbraw/zinc/70/73/96/554707396.db2.gz MTASDKGEWMLXGR-LOSJGSFVSA-N -1 1 551.043 5.974 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290198 554707689 /nfs/dbraw/zinc/70/76/89/554707689.db2.gz CMUFZOYIKSPTBS-IZZNHLLZSA-N -1 1 547.080 6.225 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000101290186 554707751 /nfs/dbraw/zinc/70/77/51/554707751.db2.gz HEPKBOKQFUFVDX-JWQCQUIFSA-N -1 1 533.053 5.917 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101290752 554708012 /nfs/dbraw/zinc/70/80/12/554708012.db2.gz LOOSGHXXNYMLLR-UIOOFZCWSA-N -1 1 530.625 5.711 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101290934 554708236 /nfs/dbraw/zinc/70/82/36/554708236.db2.gz DPYSVRWDOJSSRC-UIOOFZCWSA-N -1 1 546.624 5.411 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101290947 554708299 /nfs/dbraw/zinc/70/82/99/554708299.db2.gz MFDPVEJGEFMURZ-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101290939 554708329 /nfs/dbraw/zinc/70/83/29/554708329.db2.gz DPYSVRWDOJSSRC-FTJBHMTQSA-N -1 1 546.624 5.411 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000101291699 554708633 /nfs/dbraw/zinc/70/86/33/554708633.db2.gz UABLZPMDTBAPGO-XZOQPEGZSA-N -1 1 541.435 6.310 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c(C)c1 ZINC000101291654 554708692 /nfs/dbraw/zinc/70/86/92/554708692.db2.gz UGIDRQUESZCQGS-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4cccc(Br)c4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101292588 554709412 /nfs/dbraw/zinc/70/94/12/554709412.db2.gz CIGXNPFGBQBYGI-BJKOFHAPSA-N -1 1 565.468 6.075 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292892 554709542 /nfs/dbraw/zinc/70/95/42/554709542.db2.gz WACZCPCIOXGTFU-PKTZIBPZSA-N -1 1 587.421 6.044 50 0 KKAAMM Cc1ccc(C)c(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101292904 554709594 /nfs/dbraw/zinc/70/95/94/554709594.db2.gz KCQBCZGLFKXDPE-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3cccc(Br)c3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101292901 554709604 /nfs/dbraw/zinc/70/96/04/554709604.db2.gz WACZCPCIOXGTFU-DHIUTWEWSA-N -1 1 587.421 6.044 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293420 554710084 /nfs/dbraw/zinc/71/00/84/554710084.db2.gz JTSYKCPHUCGHCJ-FTJBHMTQSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293440 554710135 /nfs/dbraw/zinc/71/01/35/554710135.db2.gz NIIOBXFOWNUIQE-JWQCQUIFSA-N -1 1 550.587 5.160 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101294195 554710603 /nfs/dbraw/zinc/71/06/03/554710603.db2.gz IXAOOXUVRFAYGP-RPBOFIJWSA-N -1 1 567.498 6.488 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101294215 554710813 /nfs/dbraw/zinc/71/08/13/554710813.db2.gz ONPGTSBTLYCDDT-RPBOFIJWSA-N -1 1 551.043 5.974 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101294232 554710872 /nfs/dbraw/zinc/71/08/72/554710872.db2.gz WSVPDDWHYMXBEP-DNQXCXABSA-N -1 1 555.006 5.805 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1OC ZINC000101294661 554711293 /nfs/dbraw/zinc/71/12/93/554711293.db2.gz MTOKBBPLAYXZMX-OZXSUGGESA-N -1 1 528.634 5.190 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(Cl)ccc3OC)s2)cc1 ZINC000101295343 554711943 /nfs/dbraw/zinc/71/19/43/554711943.db2.gz BOFCHTQOBUMHAD-AOYPEHQESA-N -1 1 547.080 6.089 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101295427 554712017 /nfs/dbraw/zinc/71/20/17/554712017.db2.gz BGIWRPRSZRIGDV-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101390137 554754083 /nfs/dbraw/zinc/75/40/83/554754083.db2.gz OTSICEDAJMDGMI-WHLCRQNOSA-N -1 1 530.602 5.950 50 0 KKAAMM COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(F)cc2)c1 ZINC000101497768 554786977 /nfs/dbraw/zinc/78/69/77/554786977.db2.gz NFRXHJDTUCCWFK-PRAQEBQASA-N -1 1 514.553 6.249 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000101616372 554806184 /nfs/dbraw/zinc/80/61/84/554806184.db2.gz YCDPJVMMCJILEZ-UHFFFAOYSA-N -1 1 600.675 6.802 50 0 KKAAMM COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c1 ZINC000101917432 554850660 /nfs/dbraw/zinc/85/06/60/554850660.db2.gz BGZLLSDNXVEFCE-UHFFFAOYSA-N -1 1 540.551 5.450 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969370 554854746 /nfs/dbraw/zinc/85/47/46/554854746.db2.gz YIQLHTLFJYRQHQ-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969339 554854755 /nfs/dbraw/zinc/85/47/55/554854755.db2.gz BFSGBVDMLFPSNZ-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969375 554854832 /nfs/dbraw/zinc/85/48/32/554854832.db2.gz YIQLHTLFJYRQHQ-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969469 554855126 /nfs/dbraw/zinc/85/51/26/554855126.db2.gz BNMGNNMWEYNDHQ-FTJBHMTQSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969624 554855380 /nfs/dbraw/zinc/85/53/80/554855380.db2.gz DYZFYUWULPZQHX-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969839 554855984 /nfs/dbraw/zinc/85/59/84/554855984.db2.gz GOVAXKZUMCGZLP-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969926 554856208 /nfs/dbraw/zinc/85/62/08/554856208.db2.gz MKMMWOGSAGNWCA-SVBPBHIXSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101970062 554856529 /nfs/dbraw/zinc/85/65/29/554856529.db2.gz UXXVIPYFAAZONH-FTJBHMTQSA-N -1 1 546.624 5.329 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000101970217 554856987 /nfs/dbraw/zinc/85/69/87/554856987.db2.gz NXUWYGXUNGMXRS-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970474 554857377 /nfs/dbraw/zinc/85/73/77/554857377.db2.gz VQZJXGYKSJXBQI-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970621 554857584 /nfs/dbraw/zinc/85/75/84/554857584.db2.gz ZNHLXQHXHHBMFC-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101970600 554857646 /nfs/dbraw/zinc/85/76/46/554857646.db2.gz CERRIMQBTNOZEG-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101970829 554857861 /nfs/dbraw/zinc/85/78/61/554857861.db2.gz YGXHXMDXLNXAFO-UKILVPOCSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000101970871 554858267 /nfs/dbraw/zinc/85/82/67/554858267.db2.gz ZSOBBXBAIMVJPK-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970852 554858329 /nfs/dbraw/zinc/85/83/29/554858329.db2.gz VGUMZMJKPKWGDG-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000101970965 554858504 /nfs/dbraw/zinc/85/85/04/554858504.db2.gz RYSGOGRPSHTAMJ-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971262 554858998 /nfs/dbraw/zinc/85/89/98/554858998.db2.gz JDONOMXDAMBQBX-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101971521 554859183 /nfs/dbraw/zinc/85/91/83/554859183.db2.gz DFPVCQGIBMIMJT-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101971413 554859303 /nfs/dbraw/zinc/85/93/03/554859303.db2.gz NKJJVHHGTYEZFD-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101971631 554859516 /nfs/dbraw/zinc/85/95/16/554859516.db2.gz GIJNQDOGXXAOBN-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971582 554859562 /nfs/dbraw/zinc/85/95/62/554859562.db2.gz BHMNMOJCOFOZRE-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101971548 554859568 /nfs/dbraw/zinc/85/95/68/554859568.db2.gz ZXZONAMRQRSPIY-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101972361 554860353 /nfs/dbraw/zinc/86/03/53/554860353.db2.gz DUWUBMMXWPYYMY-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101972386 554860416 /nfs/dbraw/zinc/86/04/16/554860416.db2.gz SDWDXGUDNWHUPA-JWQCQUIFSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972315 554860428 /nfs/dbraw/zinc/86/04/28/554860428.db2.gz CHOQWVILCDAQMJ-RRPNLBNLSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000101972738 554860923 /nfs/dbraw/zinc/86/09/23/554860923.db2.gz APORHDIACZNIJY-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972910 554861200 /nfs/dbraw/zinc/86/12/00/554861200.db2.gz IPVZHIXAACNXML-DNQXCXABSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972830 554861333 /nfs/dbraw/zinc/86/13/33/554861333.db2.gz JNJGVFDPNGCQAD-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101972915 554861383 /nfs/dbraw/zinc/86/13/83/554861383.db2.gz OOFDGLONQKMQMH-IZZNHLLZSA-N -1 1 530.625 5.711 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccc(F)c(F)c1 ZINC000101972982 554861561 /nfs/dbraw/zinc/86/15/61/554861561.db2.gz DXUOVWNBCLQVNN-GOTSBHOMSA-N -1 1 542.970 5.935 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000101972949 554861640 /nfs/dbraw/zinc/86/16/40/554861640.db2.gz KLFIORCHWRKOSF-RPWUZVMVSA-N -1 1 522.552 5.590 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000101973134 554861684 /nfs/dbraw/zinc/86/16/84/554861684.db2.gz VOFFOHVIBOPBTJ-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c1 ZINC000101973247 554861901 /nfs/dbraw/zinc/86/19/01/554861901.db2.gz UPUHOXRZJOOEBE-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973309 554861924 /nfs/dbraw/zinc/86/19/24/554861924.db2.gz XEELEVNGLPCRFK-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])c1 ZINC000101973283 554861945 /nfs/dbraw/zinc/86/19/45/554861945.db2.gz IMUZEJHIUHOSQC-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000101973333 554862278 /nfs/dbraw/zinc/86/22/78/554862278.db2.gz YXMOOYHEBCYXTQ-FTJBHMTQSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101973423 554862305 /nfs/dbraw/zinc/86/23/05/554862305.db2.gz ATLRYIAFWLEYIU-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C(=O)[C@@H]2C(=C([O-])c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1Br ZINC000102462599 554935211 /nfs/dbraw/zinc/93/52/11/554935211.db2.gz BVPTWCNALFELOH-QODLHPCFSA-N -1 1 595.449 5.907 50 0 KKAAMM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c(Br)c(Br)c1[O-] ZINC000102594974 554976158 /nfs/dbraw/zinc/97/61/58/554976158.db2.gz QZZFVYZGISEXOH-APBUJDDRSA-N -1 1 558.336 6.383 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4C)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000102739067 555027652 /nfs/dbraw/zinc/02/76/52/555027652.db2.gz XCHPYQVONCRMQI-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810436 555074562 /nfs/dbraw/zinc/07/45/62/555074562.db2.gz AFAOYCFSQAVDSQ-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)c3cc(-c4ccco4)nc4ccccc43)c2)cc1 ZINC000102928528 555154021 /nfs/dbraw/zinc/15/40/21/555154021.db2.gz QEHIPXZLQGFNFV-UHFFFAOYSA-N -1 1 593.086 6.084 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000102936105 555163689 /nfs/dbraw/zinc/16/36/89/555163689.db2.gz QHSYSMGYXSBDAR-UHFFFAOYSA-N -1 1 539.613 5.034 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000102939018 555167671 /nfs/dbraw/zinc/16/76/71/555167671.db2.gz XICWIEPKHAJCNE-UHFFFAOYSA-N -1 1 590.916 6.995 50 0 KKAAMM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000102954606 555173438 /nfs/dbraw/zinc/17/34/38/555173438.db2.gz KJXRBPPDYFCXPI-UHFFFAOYSA-N -1 1 609.742 5.928 50 0 KKAAMM CCOc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)CC1 ZINC000102956979 555174221 /nfs/dbraw/zinc/17/42/21/555174221.db2.gz BYSIGWVHMCYLCS-UHFFFAOYSA-N -1 1 568.017 5.521 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000102959503 555174982 /nfs/dbraw/zinc/17/49/82/555174982.db2.gz ZFNVAUXZDDWIEG-HXUWFJFHSA-N -1 1 596.130 5.841 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2F)cc1 ZINC000102964581 555179889 /nfs/dbraw/zinc/17/98/89/555179889.db2.gz RQWSTSKOUNTDFW-UHFFFAOYSA-N -1 1 560.629 6.984 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000102973419 555183338 /nfs/dbraw/zinc/18/33/38/555183338.db2.gz RELCQNZPISIABO-UHFFFAOYSA-N -1 1 611.529 8.152 50 0 KKAAMM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000102975609 555185946 /nfs/dbraw/zinc/18/59/46/555185946.db2.gz PJQWDQWOMRBEJV-QGZVFWFLSA-N -1 1 614.648 5.855 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)C2=O)cc1C ZINC000102983156 555188917 /nfs/dbraw/zinc/18/89/17/555188917.db2.gz YDWNKEFUOZVQLE-VEILYXNESA-N -1 1 591.611 6.763 50 0 KKAAMM O=C(Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000102999410 555198993 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Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1C ZINC000103422163 555403145 /nfs/dbraw/zinc/40/31/45/555403145.db2.gz WKQPINZWGZNJMI-UHFFFAOYSA-N -1 1 573.671 6.233 50 0 KKAAMM O=C1C(Nc2ccccc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccco1 ZINC000103425978 555407010 /nfs/dbraw/zinc/40/70/10/555407010.db2.gz SAZZKBQHCXLILH-UHFFFAOYSA-N -1 1 566.060 5.719 50 0 KKAAMM CC(C)(C)c1ccc(Cn2c(C(=O)NCc3ccccc3)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000103428085 555409827 /nfs/dbraw/zinc/40/98/27/555409827.db2.gz VHBXSBMPAYEKQM-UHFFFAOYSA-N -1 1 607.820 8.015 50 0 KKAAMM C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000110565557 571431665 /nfs/dbraw/zinc/43/16/65/571431665.db2.gz YWPHAVPXEWMIPC-KKUMJFAQSA-N -1 1 531.433 5.268 50 0 KKAAMM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C(c1ccccc1)c1ccccc1 ZINC000150385091 571468588 /nfs/dbraw/zinc/46/85/88/571468588.db2.gz 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O=C1C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)C(=O)N1Cc1ccco1 ZINC000150412606 571484436 /nfs/dbraw/zinc/48/44/36/571484436.db2.gz XSKQRUQHZIVSON-UHFFFAOYSA-N -1 1 678.508 6.847 50 0 KKAAMM COc1cc(-c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)c3ccccc3n2)cc(OC)c1OC ZINC000150446949 571501136 /nfs/dbraw/zinc/50/11/36/571501136.db2.gz YDDMZZCRRCKAPS-UHFFFAOYSA-N -1 1 638.529 7.288 50 0 KKAAMM COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)ccc2N2CCOCC2)cc1 ZINC000150449527 571502025 /nfs/dbraw/zinc/50/20/25/571502025.db2.gz NIACZZKKQJCLRB-UHFFFAOYSA-N -1 1 691.615 5.693 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc1)CCCC2 ZINC000150462388 571506558 /nfs/dbraw/zinc/50/65/58/571506558.db2.gz DHYWPSODTYFQKD-OAQYLSRUSA-N -1 1 640.824 6.703 50 0 KKAAMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)C(=O)Nc3sc(-c4ccccc4)cc3C(=O)OCC)c2)cc1 ZINC000150462382 571506555 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O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=C([O-])c2ccc(F)cc2)[C@](O)(C(F)(F)F)N1 ZINC000169689179 571558384 /nfs/dbraw/zinc/55/83/84/571558384.db2.gz KUJHYLHIHDIPKG-OPYAIIAOSA-N -1 1 517.262 5.496 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000263585073 572116567 /nfs/dbraw/zinc/11/65/67/572116567.db2.gz DVSJITXHYNWHQH-GOSISDBHSA-N -1 1 532.545 5.420 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1OC ZINC000263585396 572118138 /nfs/dbraw/zinc/11/81/38/572118138.db2.gz IBXYNFIEELFFEL-SFHVURJKSA-N -1 1 554.507 5.582 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000263586587 572124121 /nfs/dbraw/zinc/12/41/21/572124121.db2.gz VZINWMJNLMVBIZ-IBGZPJMESA-N -1 1 572.654 6.924 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000263586588 572124394 /nfs/dbraw/zinc/12/43/94/572124394.db2.gz VZINWMJNLMVBIZ-LJQANCHMSA-N -1 1 572.654 6.924 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226814311 572142144 /nfs/dbraw/zinc/14/21/44/572142144.db2.gz ZHNFUFCFIZKELK-UPRLRBBYSA-N -1 1 500.595 5.488 50 0 KKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000226905013 572145403 /nfs/dbraw/zinc/14/54/03/572145403.db2.gz ZNEGYHPAXNBYEZ-WXFUMESZSA-N -1 1 502.368 5.290 50 0 KKAAMM COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227238415 572151590 /nfs/dbraw/zinc/15/15/90/572151590.db2.gz DMRFTMFYUPUYNI-UPRLRBBYSA-N -1 1 554.986 5.619 50 0 KKAAMM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000245240299 572213723 /nfs/dbraw/zinc/21/37/23/572213723.db2.gz QOMVAARPVKCEBK-ALBQUZEBSA-N -1 1 520.972 5.789 50 0 KKAAMM CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000245309473 572227679 /nfs/dbraw/zinc/22/76/79/572227679.db2.gz DLYNJURBUZENLF-BQUCCUTGSA-N -1 1 534.999 6.179 50 0 KKAAMM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245311999 572229983 /nfs/dbraw/zinc/22/99/83/572229983.db2.gz RPAOVPSORWAUDF-UCDUTVGFSA-N -1 1 525.048 6.237 50 0 KKAAMM CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc3c21 ZINC000253399830 572284840 /nfs/dbraw/zinc/28/48/40/572284840.db2.gz DIKDDPYDNAZBGH-GOSISDBHSA-N -1 1 512.949 5.874 50 0 KKAAMM CN(C)c1nc2ccccc2cc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(-c4ccc(Cl)cc4)coc-3c21 ZINC000253399830 572284842 /nfs/dbraw/zinc/28/48/42/572284842.db2.gz DIKDDPYDNAZBGH-GOSISDBHSA-N -1 1 512.949 5.874 50 0 KKAAMM COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253408542 572287039 /nfs/dbraw/zinc/28/70/39/572287039.db2.gz KVLGIWVMRWRSNE-DEOSSOPVSA-N -1 1 599.035 6.899 50 0 KKAAMM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413046 572288343 /nfs/dbraw/zinc/28/83/43/572288343.db2.gz SVYZBSPULHNCLQ-INIZCTEOSA-N -1 1 508.910 5.286 50 0 KKAAMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497354 572291997 /nfs/dbraw/zinc/29/19/97/572291997.db2.gz WXIZXILJEQMMHV-HYNHRCRASA-N -1 1 680.926 10.498 50 0 KKAAMM CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497354 572291998 /nfs/dbraw/zinc/29/19/98/572291998.db2.gz WXIZXILJEQMMHV-HYNHRCRASA-N -1 1 680.926 10.498 50 0 KKAAMM COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccccc6)coc-5c43)o2)c1 ZINC000524729407 1069826845 /nfs/dbraw/zinc/82/68/45/1069826845.db2.gz SHZXBZURZDWPHX-HXUWFJFHSA-N -1 1 566.518 5.440 50 0 KKAAMM COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccccc6)coc-5c43)o2)c1 ZINC000524729407 1069826874 /nfs/dbraw/zinc/82/68/74/1069826874.db2.gz SHZXBZURZDWPHX-HXUWFJFHSA-N -1 1 566.518 5.440 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)cc1OC ZINC000524729411 1069827344 /nfs/dbraw/zinc/82/73/44/1069827344.db2.gz SKLCJEQZZATDSZ-XMMPIXPASA-N -1 1 636.653 6.189 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)cc1OC ZINC000524729411 1069827371 /nfs/dbraw/zinc/82/73/71/1069827371.db2.gz SKLCJEQZZATDSZ-XMMPIXPASA-N -1 1 636.653 6.189 50 0 KKAAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccccc5)coc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000524732116 1069836204 /nfs/dbraw/zinc/83/62/04/1069836204.db2.gz YEMFGGFURHFNPF-DEOSSOPVSA-N -1 1 576.601 6.172 50 0 KKAAMM Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000103004460 1070970047 /nfs/dbraw/zinc/97/00/47/1070970047.db2.gz BKIRAKGHXBEPQX-VUTHCHCSSA-N -1 1 586.113 7.213 50 0 KKAAMM Cc1ccc(NC=C2c3ccccc3C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000103004469 1070970732 /nfs/dbraw/zinc/97/07/32/1070970732.db2.gz FUZSYJMMEZHNGT-VUTHCHCSSA-N -1 1 586.113 7.213 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3S(=O)(=O)[N-]c3ccccc3)C2=O)cc1 ZINC000103004581 1070970556 /nfs/dbraw/zinc/97/05/56/1070970556.db2.gz GKBFIBOYESNWJM-LHLOQNFPSA-N -1 1 567.623 5.304 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3S(=O)(=O)[N-]c3ccccc3)C2=O)cc1C ZINC000006242629 1071328515 /nfs/dbraw/zinc/32/85/15/1071328515.db2.gz SBSDUTOADHPQQF-LGUFXXKBSA-N -1 1 523.614 5.744 50 0 KKAAMM COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000097983972 1072840064 /nfs/dbraw/zinc/84/00/64/1072840064.db2.gz DQRGIZOMOQQUHB-KLOVOBNNSA-N -1 1 642.177 7.595 50 0 KKAAMM Cc1nn2c(nc(Cl)c3ccccc32)c1CN=Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254295788 1072844764 /nfs/dbraw/zinc/84/47/64/1072844764.db2.gz FCEPZSSZUSYWAN-UHFFFAOYSA-N -1 1 564.027 5.616 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2cc(Br)cc(Br)c2O)c(C)c1 ZINC000254344189 1072848484 /nfs/dbraw/zinc/84/84/84/1072848484.db2.gz VWNLSNIHAFQEME-UHFFFAOYSA-N -1 1 598.273 5.689 50 0 KKAAMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1Br ZINC000254387337 1072850867 /nfs/dbraw/zinc/85/08/67/1072850867.db2.gz MQWFTXZRBFLLJX-UHFFFAOYSA-N -1 1 523.796 5.648 50 0 KKAAMM COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000254623076 1072868202 /nfs/dbraw/zinc/86/82/02/1072868202.db2.gz HLOJBPDVEGYJCA-UHFFFAOYSA-N -1 1 586.073 5.766 50 0 KKAAMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccc(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c1 ZINC000254757501 1072876990 /nfs/dbraw/zinc/87/69/90/1072876990.db2.gz UQWFDILOFYYTHF-UHFFFAOYSA-N -1 1 625.457 5.881 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C1\CCCc2c1no[n+]2[O-] ZINC000150425449 1072902719 /nfs/dbraw/zinc/90/27/19/1072902719.db2.gz NODPERBQXWHTSA-ZPVYZBHKSA-N -1 1 686.340 5.048 50 0 KKAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2)cc1 ZINC000000692844 551527732 /nfs/dbraw/zinc/52/77/32/551527732.db2.gz YDGFGLGOQRQKDK-UHFFFAOYSA-N -1 1 510.575 5.220 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000000808520 551543731 /nfs/dbraw/zinc/54/37/31/551543731.db2.gz NYPRKKJXNXAWMA-UHFFFAOYSA-N -1 1 500.823 5.045 50 0 KKAAMM CC(=O)c1c(C)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000000879730 551555762 /nfs/dbraw/zinc/55/57/62/551555762.db2.gz HZZMMFUMGCWOIF-UHFFFAOYSA-N -1 1 537.446 5.497 50 0 aggregator KKAAMM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000000980241 551591776 /nfs/dbraw/zinc/59/17/76/551591776.db2.gz AZPKTSVRNQZMMM-CQSZACIVSA-N -1 1 525.877 6.023 50 0 KKAAMM COC(=O)[C@H](C)N1C(=S)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000001271056 551635022 /nfs/dbraw/zinc/63/50/22/551635022.db2.gz QENICHVYFDCGBK-JEOXALJRSA-N -1 1 580.321 6.297 50 0 KKAAMM COC(=O)CN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000001499787 551683027 /nfs/dbraw/zinc/68/30/27/551683027.db2.gz WCNYPEXKFGSXOX-GOSISDBHSA-N -1 1 550.226 5.743 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc4nc(SC)sc4c3)c2cc1OC ZINC000001785529 551699923 /nfs/dbraw/zinc/69/99/23/551699923.db2.gz RZGKGTXDRIRYQF-UHFFFAOYSA-N -1 1 597.740 5.992 50 0 biogenic KKAAMM FC(F)(F)C(Oc1nc(=NNc2ccccc2)nc(N(c2ccccc2)c2ccccc2)[n-]1)C(F)(F)F ZINC000002057341 551740078 /nfs/dbraw/zinc/74/00/78/551740078.db2.gz UVEBCDMKPQCNQG-UHFFFAOYSA-N -1 1 520.437 6.652 50 0 KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002087193 551757008 /nfs/dbraw/zinc/75/70/08/551757008.db2.gz KVIKQFPYTMDMQI-QHCPKHFHSA-N -1 1 540.572 5.688 50 0 biogenic KKAAMM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002087193 551757010 /nfs/dbraw/zinc/75/70/10/551757010.db2.gz KVIKQFPYTMDMQI-QHCPKHFHSA-N -1 1 540.572 5.688 50 0 biogenic KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000002163006 551781131 /nfs/dbraw/zinc/78/11/31/551781131.db2.gz HMWUZIWSLJMGFZ-UHFFFAOYSA-N -1 1 524.667 7.185 50 0 KKAAMM COc1cc2c3c(-c4ccccc4)nn(-c4ccccc4)c3nc(-c3cc(Br)ccc3[O-])c2cc1OC ZINC000002185810 551787116 /nfs/dbraw/zinc/78/71/16/551787116.db2.gz ILEGCKUIFGSWPA-UHFFFAOYSA-N -1 1 552.428 7.393 50 0 KKAAMM CCCCCCn1c([O-])c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(=O)c2ccccc21 ZINC000002291382 552088590 /nfs/dbraw/zinc/08/85/90/552088590.db2.gz MZPWWSYCVZHPNZ-UHFFFAOYSA-N -1 1 511.647 7.125 50 0 KKAAMM COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c([O-])c1 ZINC000002859509 552203414 /nfs/dbraw/zinc/20/34/14/552203414.db2.gz SUYYYQXOCIFDRC-UHFFFAOYSA-N -1 1 512.385 5.407 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c4c(n(S(=O)(=O)c5ccc(C)cc5)c3c3ccccc23)CCCC4)cc1 ZINC000002934131 552226879 /nfs/dbraw/zinc/22/68/79/552226879.db2.gz DPBFTOKTSJKKTM-UHFFFAOYSA-N -1 1 544.698 6.328 50 0 biogenic KKAAMM CCOc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3cc(Cl)ccc3OC)c(=O)[n-]2)cc1 ZINC000003034167 552268516 /nfs/dbraw/zinc/26/85/16/552268516.db2.gz IICIIDNUNOBNRF-UHFFFAOYSA-N -1 1 535.072 5.296 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CCC1=CCCCC1 ZINC000003092613 552286958 /nfs/dbraw/zinc/28/69/58/552286958.db2.gz ZJSHADCYZANLFD-HSZRJFAPSA-N -1 1 586.347 8.461 50 0 KKAAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1ccncc1 ZINC000003167459 552298360 /nfs/dbraw/zinc/29/83/60/552298360.db2.gz PDXDBEGZGGGMJM-UHFFFAOYSA-N -1 1 504.408 5.059 50 0 KKAAMM COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CSc3nc(-c4ccccc4)cc(=O)[n-]3)sc2C)cc1 ZINC000003219742 552309266 /nfs/dbraw/zinc/30/92/66/552309266.db2.gz XKQXCHHOBSFVKK-UHFFFAOYSA-N -1 1 554.697 6.203 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)c1 ZINC000003222145 552310733 /nfs/dbraw/zinc/31/07/33/552310733.db2.gz DHDIVAHCFSXZCB-UHFFFAOYSA-N -1 1 517.573 5.085 50 0 KKAAMM O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003226191 552312876 /nfs/dbraw/zinc/31/28/76/552312876.db2.gz QAFDVRBTOBQRRQ-UHFFFAOYSA-N -1 1 537.991 6.402 50 0 KKAAMM Cc1c([N-]S(=O)(=O)c2cc(C(=O)OCc3c(F)cccc3Cl)cc(Cl)c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000003251214 552322132 /nfs/dbraw/zinc/32/21/32/552322132.db2.gz KVUATOMVXGBXQB-UHFFFAOYSA-N -1 1 598.867 5.742 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4cccc(Cl)c4)nc3c2)cc1 ZINC000003263346 552327533 /nfs/dbraw/zinc/32/75/33/552327533.db2.gz YWYLVIZFBVPGRV-UHFFFAOYSA-N -1 1 503.989 5.021 50 0 KKAAMM C[C@H](OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003331647 552359607 /nfs/dbraw/zinc/35/96/07/552359607.db2.gz CWHBXFKGFXMTBN-ZDUSSCGKSA-N -1 1 511.358 5.117 50 0 KKAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000003366384 552373563 /nfs/dbraw/zinc/37/35/63/552373563.db2.gz LFVUUUAXKUDGTN-UHFFFAOYSA-N -1 1 558.409 5.775 50 0 KKAAMM Cc1oc2ccc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cc2c1C(=O)OCc1ccccc1 ZINC000003368369 552374324 /nfs/dbraw/zinc/37/43/24/552374324.db2.gz CFUDAADPKWYEJZ-UHFFFAOYSA-N -1 1 512.543 5.618 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)cc2)[C@H]1N([O-])C(=O)Nc1ccc(Cl)cc1 ZINC000003876668 552421774 /nfs/dbraw/zinc/42/17/74/552421774.db2.gz YXUKVDAWFIIDLB-HNNXBMFYSA-N -1 1 500.433 5.392 50 0 KKAAMM COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c([O-])c2)cc1Br ZINC000004089107 552434626 /nfs/dbraw/zinc/43/46/26/552434626.db2.gz OMNFYLSIGOXMGX-UHFFFAOYSA-N -1 1 512.385 5.407 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(NS(=O)(=O)c5ccc(C)cc5)cc4c(-c4ccccc4)n3)cc2)cc1 ZINC000006088894 552531068 /nfs/dbraw/zinc/53/10/68/552531068.db2.gz ZPYLESWQYXQBAM-UHFFFAOYSA-N -1 1 620.756 7.182 50 0 KKAAMM C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000006144211 552545864 /nfs/dbraw/zinc/54/58/64/552545864.db2.gz DXYAKFHZKYZIOF-KGLIPLIRSA-N -1 1 592.526 6.135 50 0 KKAAMM Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)OC(=O)c4cc(S(=O)(=O)[N-]c5cccc(C)c5)ccc4C)cc3)sc2c1 ZINC000006144724 552547288 /nfs/dbraw/zinc/54/72/88/552547288.db2.gz BUFSNKSXRDUVRO-JOCHJYFZSA-N -1 1 599.734 6.873 50 0 KKAAMM Cc1sc2nc([C@@H](C)OC(=O)c3ccc([N-]S(=O)(=O)c4cc(C(C)(C)C)ccc4C)cc3)[nH]c(=O)c2c1C ZINC000006153598 552552096 /nfs/dbraw/zinc/55/20/96/552552096.db2.gz ZDQPNBPRQLSENG-QGZVFWFLSA-N -1 1 553.706 5.926 50 0 KKAAMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000008384450 552989329 /nfs/dbraw/zinc/98/93/29/552989329.db2.gz XXSGVIHHLHZVAP-UHFFFAOYSA-N -1 1 523.079 6.994 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000008385583 552991084 /nfs/dbraw/zinc/99/10/84/552991084.db2.gz IQKKHEGMOJUVFP-UHFFFAOYSA-N -1 1 606.704 6.342 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csc(N4N=C(c5ccc(F)cc5)C[C@H]4c4ccc(C(C)C)cc4)n3)cc2)cc1 ZINC000008405254 553007033 /nfs/dbraw/zinc/00/70/33/553007033.db2.gz ZZROTSXPSPHPFI-XIFFEERXSA-N -1 1 610.780 8.538 50 0 KKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008435235 553030108 /nfs/dbraw/zinc/03/01/08/553030108.db2.gz KEKNQMWDMHZJRU-UHFFFAOYSA-N -1 1 621.137 7.897 50 0 KKAAMM Cc1cc2nc(-c3ccc(NC(=O)c4cc(I)ccc4I)cc3[O-])oc2c(C)c1 ZINC000008440847 553038682 /nfs/dbraw/zinc/03/86/82/553038682.db2.gz XXOQIHVCXOLXMX-UHFFFAOYSA-N -1 1 610.189 6.279 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc2N2CCCCC2)cc1 ZINC000008686768 553115924 /nfs/dbraw/zinc/11/59/24/553115924.db2.gz ZDUMTDFUMAIKIT-OVCLIPMQSA-N -1 1 581.691 5.164 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3ccccc3)[C@@H](N([O-])C(=O)Nc3ccccc3)C2(C)C)cc1OC ZINC000008926070 553191091 /nfs/dbraw/zinc/19/10/91/553191091.db2.gz OFCBQHILWWKZHF-VWLOTQADSA-N -1 1 504.587 5.217 50 0 KKAAMM COC(=O)CCCCN1C(=O)N(c2ccc(Cl)cc2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)cc2)C1(C)C ZINC000008934551 553192906 /nfs/dbraw/zinc/19/29/06/553192906.db2.gz XUKXOGWPKOKYGT-NRFANRHFSA-N -1 1 523.417 5.607 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000009432154 553261351 /nfs/dbraw/zinc/26/13/51/553261351.db2.gz FSGMRYCZFQJSBK-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432204 553261590 /nfs/dbraw/zinc/26/15/90/553261590.db2.gz RJGJOHBJMDGYOD-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009432197 553261603 /nfs/dbraw/zinc/26/16/03/553261603.db2.gz YZGWSZOWHJVTGX-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000009432219 553261983 /nfs/dbraw/zinc/26/19/83/553261983.db2.gz CKUJVHJRCRENBT-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000009432268 553262275 /nfs/dbraw/zinc/26/22/75/553262275.db2.gz OMWATHXHDDRULR-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000009432267 553262284 /nfs/dbraw/zinc/26/22/84/553262284.db2.gz OMWATHXHDDRULR-BJKOFHAPSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)c1 ZINC000009432310 553262328 /nfs/dbraw/zinc/26/23/28/553262328.db2.gz XPCHFEWGWAJSTF-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2NCc2ccc(F)cc2)c1 ZINC000009490100 553273541 /nfs/dbraw/zinc/27/35/41/553273541.db2.gz QEGGIXTUSAPIQF-BGYRXZFFSA-N -1 1 525.646 5.365 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(F)cc1 ZINC000009597254 553283528 /nfs/dbraw/zinc/28/35/28/553283528.db2.gz VJAPDTLSTWSHGJ-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009597377 553283814 /nfs/dbraw/zinc/28/38/14/553283814.db2.gz DSZXWLFSRIZUAJ-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])n1 ZINC000011866369 553346705 /nfs/dbraw/zinc/34/67/05/553346705.db2.gz OYUBVYOLQALKPG-UHFFFAOYSA-N -1 1 500.755 6.232 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000011866399 553346734 /nfs/dbraw/zinc/34/67/34/553346734.db2.gz YGGGUSXODQHETC-UHFFFAOYSA-N -1 1 500.448 6.270 50 0 KKAAMM [O-]c1cc(OCc2ccc(Br)cc2)ccc1-c1ncncc1-c1ccc(Br)cc1 ZINC000011866387 553346771 /nfs/dbraw/zinc/34/67/71/553346771.db2.gz MYSOAFIOHUEDFQ-UHFFFAOYSA-N -1 1 512.201 6.620 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(F)cc3Cl)cc2[O-])ncnc1C(F)(F)F ZINC000011866386 553346791 /nfs/dbraw/zinc/34/67/91/553346791.db2.gz RIYHFKNSEJSLPZ-UHFFFAOYSA-N -1 1 504.867 6.915 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112488 553351433 /nfs/dbraw/zinc/35/14/33/553351433.db2.gz UWCWRZBAWQHSCZ-UHFFFAOYSA-N -1 1 514.028 5.302 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000013138055 553453448 /nfs/dbraw/zinc/45/34/48/553453448.db2.gz PWVBCSYITDATBF-UHFFFAOYSA-N -1 1 505.039 6.610 50 0 KKAAMM COc1cc(O)ccc1CC[C@@H](c1ccc(O)cc1)c1cc(CCC(=O)c2ccc([O-])cc2)c(O)cc1O ZINC000013341199 553458615 /nfs/dbraw/zinc/45/86/15/553458615.db2.gz SFIYEXDIBBOYMW-SANMLTNESA-N -1 1 514.574 5.803 50 0 biogenic,in-vitro KKAAMM COc1cc(CCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc(OC)c1OC ZINC000016043759 553553407 /nfs/dbraw/zinc/55/34/07/553553407.db2.gz KAQPOBFSJGTPHV-UHFFFAOYSA-N -1 1 519.019 5.046 50 0 KKAAMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)C1 ZINC000017245428 553591519 /nfs/dbraw/zinc/59/15/19/553591519.db2.gz JKZMMPKDKAPQJZ-QGZVFWFLSA-N -1 1 507.637 5.342 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(Cl)c1 ZINC000020134645 553592877 /nfs/dbraw/zinc/59/28/77/553592877.db2.gz VAEJEMKZFYBGCK-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000020134594 553592998 /nfs/dbraw/zinc/59/29/98/553592998.db2.gz UYBBNNSNAGZWNZ-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018044101 553602236 /nfs/dbraw/zinc/60/22/36/553602236.db2.gz ZHNFUFCFIZKELK-IARZGTGTSA-N -1 1 500.595 5.488 50 0 KKAAMM COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2[O-])ncnc1C(F)(F)F ZINC000071386378 553635587 /nfs/dbraw/zinc/63/55/87/553635587.db2.gz MDSCVCNDVZDXCW-UHFFFAOYSA-N -1 1 521.322 7.429 50 0 KKAAMM O=S(=O)([N-]c1ccccc1NCCNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 ZINC000020366029 553643279 /nfs/dbraw/zinc/64/32/79/553643279.db2.gz KGJQXZLBKWJAEY-UHFFFAOYSA-N -1 1 505.349 5.732 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490532 553660387 /nfs/dbraw/zinc/66/03/87/553660387.db2.gz NWSRZZYVUFWCMS-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490570 553660677 /nfs/dbraw/zinc/66/06/77/553660677.db2.gz XMPLHIXGFUECHQ-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490604 553661123 /nfs/dbraw/zinc/66/11/23/553661123.db2.gz NVCGDBMRMCIVKL-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000020490610 553661147 /nfs/dbraw/zinc/66/11/47/553661147.db2.gz NVCGDBMRMCIVKL-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000020490628 553661264 /nfs/dbraw/zinc/66/12/64/553661264.db2.gz ORMXBYKDBYQCEH-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490664 553661445 /nfs/dbraw/zinc/66/14/45/553661445.db2.gz QLGBZFPCVVDHDX-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490710 553661498 /nfs/dbraw/zinc/66/14/98/553661498.db2.gz SENQOYBAHGIOGU-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000020490729 553661990 /nfs/dbraw/zinc/66/19/90/553661990.db2.gz HSJWZLIWPHMEET-PKTZIBPZSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020490775 553662021 /nfs/dbraw/zinc/66/20/21/553662021.db2.gz UEPYKASWMPPSOD-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490827 553662432 /nfs/dbraw/zinc/66/24/32/553662432.db2.gz YBIRRHGVVMGIIA-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490795 553662450 /nfs/dbraw/zinc/66/24/50/553662450.db2.gz ADUMCNZFXDWZJV-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020490813 553662457 /nfs/dbraw/zinc/66/24/57/553662457.db2.gz SEPSGLHSFPZEHY-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490857 553662835 /nfs/dbraw/zinc/66/28/35/553662835.db2.gz WGDFYHIRPMGLPK-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020490998 553663595 /nfs/dbraw/zinc/66/35/95/553663595.db2.gz CPCVBPZVICWZLZ-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020491020 553663621 /nfs/dbraw/zinc/66/36/21/553663621.db2.gz MDKGUXZPXLFGRR-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490972 553663683 /nfs/dbraw/zinc/66/36/83/553663683.db2.gz URGKPIKEVZIJCN-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490976 553663691 /nfs/dbraw/zinc/66/36/91/553663691.db2.gz BDWDECTYOXTUTC-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491252 553664740 /nfs/dbraw/zinc/66/47/40/553664740.db2.gz IEPMELQJCISHDB-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491328 553665070 /nfs/dbraw/zinc/66/50/70/553665070.db2.gz CGYCADBPENOALF-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM CSc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000020849964 553699370 /nfs/dbraw/zinc/69/93/70/553699370.db2.gz ZDSWVBOHRMYAMF-RPBOFIJWSA-N -1 1 514.676 5.895 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020903549 553701336 /nfs/dbraw/zinc/70/13/36/553701336.db2.gz DMPDWJBYQOLIJC-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c(C)c1 ZINC000020903647 553701789 /nfs/dbraw/zinc/70/17/89/553701789.db2.gz BUROTVNHWWEMOV-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000020903785 553702509 /nfs/dbraw/zinc/70/25/09/553702509.db2.gz CMGWRYVSSXMSRR-JWQCQUIFSA-N -1 1 518.589 5.705 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903958 553702860 /nfs/dbraw/zinc/70/28/60/553702860.db2.gz MNKXAFWYIFSSDZ-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000020903974 553702949 /nfs/dbraw/zinc/70/29/49/553702949.db2.gz UTSTUAWRZPKSMQ-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000020903968 553702995 /nfs/dbraw/zinc/70/29/95/553702995.db2.gz MXBYVFRZOLVLRC-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020904000 553703170 /nfs/dbraw/zinc/70/31/70/553703170.db2.gz BYOWRYZAYRGSKB-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020904060 553703576 /nfs/dbraw/zinc/70/35/76/553703576.db2.gz DIVNVEFPIVNRPM-SXOMAYOGSA-N -1 1 526.662 5.798 50 0 KKAAMM CCn1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000096276429 553733249 /nfs/dbraw/zinc/73/32/49/553733249.db2.gz DYCYAOIJTVSTRL-UHFFFAOYSA-N -1 1 505.493 5.872 50 0 KKAAMM CC(C)CNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1ccc(F)cc1 ZINC000096276405 553733259 /nfs/dbraw/zinc/73/32/59/553733259.db2.gz ONECVIYMBBCSII-UHFFFAOYSA-N -1 1 514.022 5.669 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc3ccccc32)[C@@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000097949699 553802804 /nfs/dbraw/zinc/80/28/04/553802804.db2.gz OYTPXSFZCILRAB-HSZRJFAPSA-N -1 1 531.663 6.391 50 0 KKAAMM CC(C)CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000097949776 553803195 /nfs/dbraw/zinc/80/31/95/553803195.db2.gz QVCVWUUUIYOSOM-HXUWFJFHSA-N -1 1 548.298 7.616 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000025394992 553807831 /nfs/dbraw/zinc/80/78/31/553807831.db2.gz CBWFWAMPXPVJIS-UHFFFAOYSA-N -1 1 519.545 5.367 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000097951580 553809895 /nfs/dbraw/zinc/80/98/95/553809895.db2.gz PTFOVOBVFXEMIF-WAOWUJCRSA-N -1 1 533.717 6.011 50 0 KKAAMM CCOC(=O)c1c(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2ccc(OC)cc2)sc2c1CCCC2 ZINC000027520363 553827100 /nfs/dbraw/zinc/82/71/00/553827100.db2.gz FKDXCUBJKKJXQR-BXVZCJGGSA-N -1 1 518.591 5.749 50 0 KKAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)Nc3ccccc3)c2)cc1)c1ccccc1 ZINC000029747283 553846623 /nfs/dbraw/zinc/84/66/23/553846623.db2.gz WHAMDMQGSBMWRX-UHFFFAOYSA-N -1 1 550.434 5.755 50 0 KKAAMM COc1ccc(Br)cc1CNC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000029748876 553850176 /nfs/dbraw/zinc/85/01/76/553850176.db2.gz DOAPILPOVSQDOP-UHFFFAOYSA-N -1 1 558.498 5.097 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000097960032 553868024 /nfs/dbraw/zinc/86/80/24/553868024.db2.gz AFMZBSSGRSQDTC-UHFFFAOYSA-N -1 1 521.278 6.910 50 0 KKAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(Cl)cc5)cc4)cn3)n2)c1 ZINC000032974774 553883861 /nfs/dbraw/zinc/88/38/61/553883861.db2.gz NDNTYEKZNLUWQO-UHFFFAOYSA-N -1 1 505.987 5.411 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(Cl)cc6)CCC[C@H]5[C@H]4c4ccc(Cl)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965235 553904009 /nfs/dbraw/zinc/90/40/09/553904009.db2.gz YIISXKAPYGFZJC-HGNOXNEPSA-N -1 1 684.689 10.853 50 0 KKAAMM COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000097965413 553904523 /nfs/dbraw/zinc/90/45/23/553904523.db2.gz PAAOGTJBNLSKHF-VVNKCDPRSA-N -1 1 718.354 5.242 50 0 KKAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(F)c(F)c5)cc4)cn3)n2)cc1 ZINC000033254921 553914279 /nfs/dbraw/zinc/91/42/79/553914279.db2.gz AIOWSBOMEOTQQO-UHFFFAOYSA-N -1 1 507.522 5.036 50 0 KKAAMM CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000033355230 553933692 /nfs/dbraw/zinc/93/36/92/553933692.db2.gz WNFHLELYIVXBPG-UHFFFAOYSA-N -1 1 634.295 8.420 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000033355495 553935039 /nfs/dbraw/zinc/93/50/39/553935039.db2.gz CZKTYPOIXMVYQB-DBXWQHBBSA-N -1 1 543.723 5.466 50 0 KKAAMM CC1CCN(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2[N-]S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000033357237 553947548 /nfs/dbraw/zinc/94/75/48/553947548.db2.gz QHKQUPHSFIHSNI-UHFFFAOYSA-N -1 1 615.569 5.588 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000033357637 553949701 /nfs/dbraw/zinc/94/97/01/553949701.db2.gz RVTUWLRLFOIAMS-ZEQRLZLVSA-N -1 1 563.477 5.636 50 0 KKAAMM O=C(Nc1ccc(Cl)c(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1)c1ccc2ccccc2c1[O-] ZINC000033358523 553956289 /nfs/dbraw/zinc/95/62/89/553956289.db2.gz HUJWCIICJPIFAF-NPYONTDKSA-N -1 1 571.032 6.848 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000097980123 553985609 /nfs/dbraw/zinc/98/56/09/553985609.db2.gz XYIDDSXPNREHAU-UDWIEESQSA-N -1 1 693.844 6.387 50 0 KKAAMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)cc1 ZINC000097982342 554001254 /nfs/dbraw/zinc/00/12/54/554001254.db2.gz JEYNUMJKXZRXEE-UHFFFAOYSA-N -1 1 551.662 5.636 50 0 KKAAMM CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000098021353 554118124 /nfs/dbraw/zinc/11/81/24/554118124.db2.gz QUELNRGZLXIWSB-HSZRJFAPSA-N -1 1 533.469 5.427 50 0 KKAAMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(-c4ccc(NS(=O)(=O)c5ccc6c7c(cccc75)C(=O)N6)cc4)cc3)c3cccc1c23 ZINC000098048394 554161548 /nfs/dbraw/zinc/16/15/48/554161548.db2.gz MCIXGBNOHOQKLU-UHFFFAOYSA-N -1 1 646.706 6.393 50 0 KKAAMM COc1c(Cl)cc(Cl)cc1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000098049856 554169548 /nfs/dbraw/zinc/16/95/48/554169548.db2.gz PNRXXEVOLJPIHF-DNQXCXABSA-N -1 1 535.431 6.163 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000100086190 554209028 /nfs/dbraw/zinc/20/90/28/554209028.db2.gz UWABYXYNBBMMJU-UHFFFAOYSA-N -1 1 619.556 6.431 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000100091318 554211478 /nfs/dbraw/zinc/21/14/78/554211478.db2.gz IWFYZSVYDOYNKE-UHFFFAOYSA-N -1 1 560.629 6.984 50 0 KKAAMM CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000037384803 554238857 /nfs/dbraw/zinc/23/88/57/554238857.db2.gz OTQZCJSASFBOOK-UHFFFAOYSA-N -1 1 502.518 5.461 50 0 KKAAMM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000100275814 554272490 /nfs/dbraw/zinc/27/24/90/554272490.db2.gz ROYNWCPAIRSPOG-OQLLNIDSSA-N -1 1 570.259 5.299 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000040484950 554286957 /nfs/dbraw/zinc/28/69/57/554286957.db2.gz SNILAEDHFMHLOL-RPBOFIJWSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000040485264 554287004 /nfs/dbraw/zinc/28/70/04/554287004.db2.gz BAEYWRQTLUNWQN-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM CCCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000049745794 554324939 /nfs/dbraw/zinc/32/49/39/554324939.db2.gz FQXIMCXUTBUSNW-FQEVSTJZSA-N -1 1 548.298 7.760 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000100426131 554387660 /nfs/dbraw/zinc/38/76/60/554387660.db2.gz UCYDEMADQPKPAG-GRMGDBHTSA-N -1 1 582.697 7.416 50 0 KKAAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccs2)cc1 ZINC000100427102 554389403 /nfs/dbraw/zinc/38/94/03/554389403.db2.gz CDWGTSZSUYMQAZ-XBBWARJSSA-N -1 1 516.619 6.480 50 0 KKAAMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059641266 554416776 /nfs/dbraw/zinc/41/67/76/554416776.db2.gz XBJXZENPUYMSJL-UHFFFAOYSA-N -1 1 563.701 5.247 50 0 KKAAMM CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000059641212 554416912 /nfs/dbraw/zinc/41/69/12/554416912.db2.gz TUGLATGSSKKSTN-UHFFFAOYSA-N -1 1 551.690 5.169 50 0 KKAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 ZINC000059651352 554418243 /nfs/dbraw/zinc/41/82/43/554418243.db2.gz KXWXMVUSTYRSIZ-UHFFFAOYSA-N -1 1 536.256 5.358 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1OC ZINC000101289805 554707215 /nfs/dbraw/zinc/70/72/15/554707215.db2.gz ORLZBKYMHZYZHG-OZXSUGGESA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1OC ZINC000101289812 554707459 /nfs/dbraw/zinc/70/74/59/554707459.db2.gz ORLZBKYMHZYZHG-JYFHCDHNSA-N -1 1 563.079 5.844 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101290762 554708043 /nfs/dbraw/zinc/70/80/43/554708043.db2.gz LOOSGHXXNYMLLR-FTJBHMTQSA-N -1 1 530.625 5.711 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000101292501 554709180 /nfs/dbraw/zinc/70/91/80/554709180.db2.gz SNUQSTWNFNVEIA-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4cccc(Br)c4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101292596 554709475 /nfs/dbraw/zinc/70/94/75/554709475.db2.gz CIGXNPFGBQBYGI-DNQXCXABSA-N -1 1 565.468 6.075 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293364 554709855 /nfs/dbraw/zinc/70/98/55/554709855.db2.gz LRWJQLXTKOEIOI-RPLLCQBOSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293375 554709876 /nfs/dbraw/zinc/70/98/76/554709876.db2.gz ZQNKCGCKJSIUQJ-OZXSUGGESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293382 554710038 /nfs/dbraw/zinc/71/00/38/554710038.db2.gz ZQNKCGCKJSIUQJ-BVAGGSTKSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101293412 554710098 /nfs/dbraw/zinc/71/00/98/554710098.db2.gz JTSYKCPHUCGHCJ-UIOOFZCWSA-N -1 1 563.079 5.844 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1OC ZINC000101293379 554710122 /nfs/dbraw/zinc/71/01/22/554710122.db2.gz ZQNKCGCKJSIUQJ-ZEQKJWHPSA-N -1 1 528.634 5.190 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000101293393 554710151 /nfs/dbraw/zinc/71/01/51/554710151.db2.gz AXYCOIVCORFPAX-RPWUZVMVSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(SC)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000101294697 554711511 /nfs/dbraw/zinc/71/15/11/554711511.db2.gz LDTOQJNNKGDOSB-DQEYMECFSA-N -1 1 530.675 5.595 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1OC ZINC000101294674 554711571 /nfs/dbraw/zinc/71/15/71/554711571.db2.gz MTOKBBPLAYXZMX-ZEQKJWHPSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2)nc1[O-] ZINC000101295447 554711978 /nfs/dbraw/zinc/71/19/78/554711978.db2.gz VKMJUTBKLMBVBR-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000101295444 554712045 /nfs/dbraw/zinc/71/20/45/554712045.db2.gz VKMJUTBKLMBVBR-NOZRDPDXSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000101424487 554768014 /nfs/dbraw/zinc/76/80/14/554768014.db2.gz SVYSWMFJFFEQIO-SFNQZPIRSA-N -1 1 546.576 5.720 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000101456904 554777839 /nfs/dbraw/zinc/77/78/39/554777839.db2.gz VQRDMDSCUSNHJU-UHFFFAOYSA-N -1 1 541.655 7.034 50 0 KKAAMM CC(=O)Oc1c(-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(-c2ccc(N(C)C)cc2)nn1-c1ccc(F)cc1 ZINC000101583348 554801285 /nfs/dbraw/zinc/80/12/85/554801285.db2.gz FXHTXPBKACDUDQ-UHFFFAOYSA-N -1 1 584.673 6.446 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000101616426 554806073 /nfs/dbraw/zinc/80/60/73/554806073.db2.gz PCKZWDDCAUSHFT-UHFFFAOYSA-N -1 1 625.512 7.792 50 0 KKAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(cc(C(=O)NCc4ccco4)n3Cc3ccc(F)cc3)c2)cc1 ZINC000101762657 554836833 /nfs/dbraw/zinc/83/68/33/554836833.db2.gz MUFHOWPPPFYOIV-UHFFFAOYSA-N -1 1 559.663 6.450 50 0 KKAAMM COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3[N-]C(=O)c3cc(-c4cccs4)on3)CC2)c1 ZINC000101917409 554850553 /nfs/dbraw/zinc/85/05/53/554850553.db2.gz POLQWTDCFUBYNW-UHFFFAOYSA-N -1 1 528.590 5.373 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969262 554854524 /nfs/dbraw/zinc/85/45/24/554854524.db2.gz KSXFNVUGUHMKDZ-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969254 554854643 /nfs/dbraw/zinc/85/46/43/554854643.db2.gz XLGYOYIMKQPLNJ-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969290 554854715 /nfs/dbraw/zinc/85/47/15/554854715.db2.gz GIXXUUBSDCOMCP-AZGAKELHSA-N -1 1 528.634 5.190 50 0 KKAAMM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000101969345 554854822 /nfs/dbraw/zinc/85/48/22/554854822.db2.gz CVVDVHDKFQQWEE-MHZLTWQESA-N -1 1 574.589 6.090 50 0 KKAAMM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000101969345 554854823 /nfs/dbraw/zinc/85/48/23/554854823.db2.gz CVVDVHDKFQQWEE-MHZLTWQESA-N -1 1 574.589 6.090 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101969358 554854866 /nfs/dbraw/zinc/85/48/66/554854866.db2.gz LSKCJZNYUZMMJZ-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969379 554854873 /nfs/dbraw/zinc/85/48/73/554854873.db2.gz YIQLHTLFJYRQHQ-CLJLJLNGSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969401 554855041 /nfs/dbraw/zinc/85/50/41/554855041.db2.gz XXYYDKNUKHNYCJ-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969478 554855090 /nfs/dbraw/zinc/85/50/90/554855090.db2.gz MCCMHWJIUNUHHY-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969581 554855296 /nfs/dbraw/zinc/85/52/96/554855296.db2.gz ZNCUKPAKIUWSAC-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969593 554855321 /nfs/dbraw/zinc/85/53/21/554855321.db2.gz RQFARRUFUCJHBJ-ZCYQVOJMSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101969508 554855330 /nfs/dbraw/zinc/85/53/30/554855330.db2.gz DYJCJNKNADSXFE-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969745 554855553 /nfs/dbraw/zinc/85/55/53/554855553.db2.gz MEXXTCVXAHWIGC-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969678 554855631 /nfs/dbraw/zinc/85/56/31/554855631.db2.gz LRHVMSMWDIBOJA-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969865 554855796 /nfs/dbraw/zinc/85/57/96/554855796.db2.gz LENJIMNNGGNCAF-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969843 554855828 /nfs/dbraw/zinc/85/58/28/554855828.db2.gz GOVAXKZUMCGZLP-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969881 554855917 /nfs/dbraw/zinc/85/59/17/554855917.db2.gz ZHAKMGNDXCJQMS-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101970398 554856831 /nfs/dbraw/zinc/85/68/31/554856831.db2.gz SBYVOZUQPMQWGV-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970375 554856850 /nfs/dbraw/zinc/85/68/50/554856850.db2.gz FBVZQYQROFJTOC-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101970203 554856971 /nfs/dbraw/zinc/85/69/71/554856971.db2.gz TVRCJLOOMDUYMD-VWNXMTODSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1F ZINC000101970257 554857016 /nfs/dbraw/zinc/85/70/16/554857016.db2.gz FYKNQZIKFAMLOG-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970437 554857106 /nfs/dbraw/zinc/85/71/06/554857106.db2.gz XMRFMBMHUIXGCS-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970484 554857122 /nfs/dbraw/zinc/85/71/22/554857122.db2.gz VQZJXGYKSJXBQI-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970557 554857506 /nfs/dbraw/zinc/85/75/06/554857506.db2.gz HTGBTXCGPOYUGU-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101970707 554857623 /nfs/dbraw/zinc/85/76/23/554857623.db2.gz DETMRDDZLJAFTE-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000101970767 554857960 /nfs/dbraw/zinc/85/79/60/554857960.db2.gz HMLHMQVCMHXYKQ-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970779 554858019 /nfs/dbraw/zinc/85/80/19/554858019.db2.gz FVHJDBCQMOOJIU-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970936 554858238 /nfs/dbraw/zinc/85/82/38/554858238.db2.gz FNTNPYNXFVNEJR-BDYUSTAISA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970902 554858392 /nfs/dbraw/zinc/85/83/92/554858392.db2.gz VBSIOQWTDPIAIE-RSXGOPAZSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000101971015 554858573 /nfs/dbraw/zinc/85/85/73/554858573.db2.gz YJYULRZBMUKXJS-AOYPEHQESA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000101971010 554858599 /nfs/dbraw/zinc/85/85/99/554858599.db2.gz YJYULRZBMUKXJS-AZGAKELHSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970962 554858692 /nfs/dbraw/zinc/85/86/92/554858692.db2.gz SUMRMHUYBBBBGY-AOYPEHQESA-N -1 1 546.624 5.329 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101971200 554858868 /nfs/dbraw/zinc/85/88/68/554858868.db2.gz ZDBUKUZWTGWBBW-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101971231 554858875 /nfs/dbraw/zinc/85/88/75/554858875.db2.gz GCVJHGHIPVSJPA-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101971195 554858924 /nfs/dbraw/zinc/85/89/24/554858924.db2.gz ZDBUKUZWTGWBBW-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101971150 554859003 /nfs/dbraw/zinc/85/90/03/554859003.db2.gz AVUJQYGRMVABTB-SXOMAYOGSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101971475 554859291 /nfs/dbraw/zinc/85/92/91/554859291.db2.gz SJHNQVJVEUYNMI-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971615 554859505 /nfs/dbraw/zinc/85/95/05/554859505.db2.gz NXGYMETXPDHCEA-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101971653 554859539 /nfs/dbraw/zinc/85/95/39/554859539.db2.gz IVUCVDPPGUASIB-IZZNHLLZSA-N -1 1 528.634 5.190 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971716 554859836 /nfs/dbraw/zinc/85/98/36/554859836.db2.gz GRHTXGKVZHIUPM-CLJLJLNGSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000101972256 554860095 /nfs/dbraw/zinc/86/00/95/554860095.db2.gz ZMLAWWTYZRTLGN-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972297 554860130 /nfs/dbraw/zinc/86/01/30/554860130.db2.gz UGQZBGRTUUDXMX-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972426 554860477 /nfs/dbraw/zinc/86/04/77/554860477.db2.gz CNCLWJWPIKNDLC-ZEQRLZLVSA-N -1 1 538.551 5.290 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000101972748 554861074 /nfs/dbraw/zinc/86/10/74/554861074.db2.gz APORHDIACZNIJY-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972877 554861341 /nfs/dbraw/zinc/86/13/41/554861341.db2.gz JECXYYWWAGTLLY-RDGATRHJSA-N -1 1 530.581 5.041 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972901 554861348 /nfs/dbraw/zinc/86/13/48/554861348.db2.gz IPVZHIXAACNXML-RPWUZVMVSA-N -1 1 522.552 5.590 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(OC)c3)nc2[O-])c1 ZINC000101973176 554861609 /nfs/dbraw/zinc/86/16/09/554861609.db2.gz AYFQFXIAUFCWPR-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000101972947 554861644 /nfs/dbraw/zinc/86/16/44/554861644.db2.gz KLFIORCHWRKOSF-DNQXCXABSA-N -1 1 522.552 5.590 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(OC)c3)nc2[O-])cc1 ZINC000101973161 554861678 /nfs/dbraw/zinc/86/16/78/554861678.db2.gz RPQQMJOTYWJDCC-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)c1 ZINC000101973208 554861909 /nfs/dbraw/zinc/86/19/09/554861909.db2.gz BQVAQLXYBQXKFE-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM Cc1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)c1 ZINC000101973312 554862011 /nfs/dbraw/zinc/86/20/11/554862011.db2.gz XEELEVNGLPCRFK-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101973345 554862291 /nfs/dbraw/zinc/86/22/91/554862291.db2.gz ZPWNBXUPACDXMT-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM CC(C)c1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000101977421 554863114 /nfs/dbraw/zinc/86/31/14/554863114.db2.gz AYCIPNXPDKQSPV-UHFFFAOYSA-N -1 1 591.686 6.328 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)cc1Cl ZINC000102278238 554906372 /nfs/dbraw/zinc/90/63/72/554906372.db2.gz KSGWTYPKTLFSDN-UHFFFAOYSA-N -1 1 523.977 5.550 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1ccc(F)c(Cl)c1 ZINC000102278577 554906564 /nfs/dbraw/zinc/90/65/64/554906564.db2.gz WWAMDZANSPHLTL-UHFFFAOYSA-N -1 1 544.395 5.895 50 0 KKAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)c1 ZINC000102278612 554906603 /nfs/dbraw/zinc/90/66/03/554906603.db2.gz OCLNNNPQCQCMJW-UHFFFAOYSA-N -1 1 521.986 5.111 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc(OC)c1 ZINC000102412936 554923927 /nfs/dbraw/zinc/92/39/27/554923927.db2.gz TTWMZVOKLUEMCY-DEOSSOPVSA-N -1 1 626.554 7.212 50 0 KKAAMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@@H](c2ccc(C)o2)c2ccc(-c3ccccc3)cc2)cc1OC ZINC000102550360 554961345 /nfs/dbraw/zinc/96/13/45/554961345.db2.gz GDBHBZRLSBCGAW-XIFFEERXSA-N -1 1 553.680 7.562 50 0 KKAAMM O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000102574782 554971311 /nfs/dbraw/zinc/97/13/11/554971311.db2.gz ODGYVEIMNPMZJV-SANMLTNESA-N -1 1 593.588 5.500 50 0 KKAAMM O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000102574782 554971314 /nfs/dbraw/zinc/97/13/14/554971314.db2.gz ODGYVEIMNPMZJV-SANMLTNESA-N -1 1 593.588 5.500 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc2NCc2ccccc2OC)c1 ZINC000102729430 555023031 /nfs/dbraw/zinc/02/30/31/555023031.db2.gz XTTBNZTWNNVTIN-UHFFFAOYSA-N -1 1 600.741 5.075 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102756988 555049681 /nfs/dbraw/zinc/04/96/81/555049681.db2.gz WSGXYDUGBGMQTN-JCYYIGJDSA-N -1 1 500.595 5.624 50 0 KKAAMM O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000102782912 555066577 /nfs/dbraw/zinc/06/65/77/555066577.db2.gz IQYOLSCKPVYDTR-UHFFFAOYSA-N -1 1 574.055 5.114 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)ccc2N2CCCCC2)cc1 ZINC000102788706 555068581 /nfs/dbraw/zinc/06/85/81/555068581.db2.gz DMNRRUYHUCVATQ-UHFFFAOYSA-N -1 1 567.155 5.710 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810378 555074486 /nfs/dbraw/zinc/07/44/86/555074486.db2.gz SNQNIDUPIQIZKR-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000102810360 555074551 /nfs/dbraw/zinc/07/45/51/555074551.db2.gz BNVWSFZPBRAMKV-BJKOFHAPSA-N -1 1 555.462 6.619 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3Cl)nc2[O-])c1 ZINC000102810582 555074651 /nfs/dbraw/zinc/07/46/51/555074651.db2.gz DMIKSPDQMOBWHC-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000102810943 555074769 /nfs/dbraw/zinc/07/47/69/555074769.db2.gz FFPFTWNYRGBWPC-IZZNHLLZSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810651 555074776 /nfs/dbraw/zinc/07/47/76/555074776.db2.gz LVZRSAVRIUJDJA-JWQCQUIFSA-N -1 1 551.043 5.974 50 0 KKAAMM CC[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(F)c3)cc2CN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102939241 555167876 /nfs/dbraw/zinc/16/78/76/555167876.db2.gz AAPUWSRUNCQNHH-QHCPKHFHSA-N -1 1 536.547 5.654 50 0 KKAAMM COc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccccc4OC)ccc3N3CCOCC3)c3ccccc3n2)cc1 ZINC000102956769 555173932 /nfs/dbraw/zinc/17/39/32/555173932.db2.gz VETPZZHPOIQMDP-UHFFFAOYSA-N -1 1 624.719 5.809 50 0 KKAAMM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc(-c2ccccc2)cc1 ZINC000102974667 555184342 /nfs/dbraw/zinc/18/43/42/555184342.db2.gz JGZJUOVVCLNEMV-UHFFFAOYSA-N -1 1 548.064 5.897 50 0 KKAAMM Cc1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c(Br)c1 ZINC000102996306 555195999 /nfs/dbraw/zinc/19/59/99/555195999.db2.gz YFXSVCAGMGJXEJ-UHFFFAOYSA-N -1 1 524.234 5.573 50 0 KKAAMM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)cc12 ZINC000102999428 555199034 /nfs/dbraw/zinc/19/90/34/555199034.db2.gz TYLVNIBGQLGLTL-UHFFFAOYSA-N -1 1 591.929 7.409 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1cc(Br)c(Br)s1 ZINC000103000453 555200317 /nfs/dbraw/zinc/20/03/17/555200317.db2.gz DXGITXYZELQCFG-UHFFFAOYSA-N -1 1 550.681 5.980 50 0 KKAAMM COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)C1=O ZINC000103081625 555260390 /nfs/dbraw/zinc/26/03/90/555260390.db2.gz PDPQPNLCNOHSBJ-UHFFFAOYSA-N -1 1 585.707 6.102 50 0 KKAAMM O=C(COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000103092360 555271422 /nfs/dbraw/zinc/27/14/22/555271422.db2.gz RVZWFASINVGRKT-UHFFFAOYSA-N -1 1 598.721 5.705 50 0 KKAAMM COc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C(=O)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000103384774 555373262 /nfs/dbraw/zinc/37/32/62/555373262.db2.gz VIBSXNCDESNXTK-UHFFFAOYSA-N -1 1 609.657 5.222 50 0 KKAAMM O=C(NCc1ccccc1)c1cc2cc([N-]S(=O)(=O)c3ccccc3)ccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000103419656 555400133 /nfs/dbraw/zinc/40/01/33/555400133.db2.gz OPFTWLQTQGVGJN-UHFFFAOYSA-N -1 1 563.601 6.439 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)c(OC)c1 ZINC000103424094 555404092 /nfs/dbraw/zinc/40/40/92/555404092.db2.gz XCQZQNBXQORJGA-UHFFFAOYSA-N -1 1 601.706 5.802 50 0 KKAAMM COCCNC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2n1Cc1cc(C)ccc1C ZINC000103428272 555410680 /nfs/dbraw/zinc/41/06/80/555410680.db2.gz NCLCXLLAGMZPHZ-UHFFFAOYSA-N -1 1 559.610 5.502 50 0 KKAAMM Cc1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 ZINC000103439638 555419704 /nfs/dbraw/zinc/41/97/04/555419704.db2.gz UZHYGQIWZJKPBK-UHFFFAOYSA-N -1 1 573.671 6.233 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)c(C)c3)=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C2=O)cc1 ZINC000103439666 555419780 /nfs/dbraw/zinc/41/97/80/555419780.db2.gz YOAFWNPQWUQARF-UHFFFAOYSA-N -1 1 603.697 6.241 50 0 KKAAMM Cc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C(=O)N(c3ccc(F)cc3)C2=O)cc1C ZINC000103439765 555420058 /nfs/dbraw/zinc/42/00/58/555420058.db2.gz COIAETJSYIGQPK-UHFFFAOYSA-N -1 1 591.661 6.372 50 0 KKAAMM CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cccc(Nc2[n-]n(-c3ccccc3)c(=O)c2Sc2ccccc2)c1 ZINC000150392585 571474482 /nfs/dbraw/zinc/47/44/82/571474482.db2.gz GKMKRMLAUVZORF-QZCRLSDHSA-N -1 1 676.927 9.791 50 0 KKAAMM COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150404867 571479070 /nfs/dbraw/zinc/47/90/70/571479070.db2.gz NIYVXCCQJANJJW-DUTUXMCTSA-N -1 1 646.693 6.153 50 0 KKAAMM O=C1C(Nc2ccc(Br)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C(=O)N1c1ccccc1 ZINC000150412565 571484455 /nfs/dbraw/zinc/48/44/55/571484455.db2.gz PFGGOUOMKQMSJO-UHFFFAOYSA-N -1 1 624.513 6.378 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3N3CCOCC3)ccc2C)cc1 ZINC000150421836 571487901 /nfs/dbraw/zinc/48/79/01/571487901.db2.gz JENCWVOOZPGXSN-UHFFFAOYSA-N -1 1 655.198 5.647 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccc(SC(F)F)cc4)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150448486 571501499 /nfs/dbraw/zinc/50/14/99/571501499.db2.gz KGBCEUSYSPXUJJ-UHFFFAOYSA-N -1 1 713.810 5.677 50 0 KKAAMM CN(C)c1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OCc4ccccc4)cc3)c2)c2c[nH]c3ccccc32)cc1 ZINC000150453672 571503774 /nfs/dbraw/zinc/50/37/74/571503774.db2.gz USVHCWLRMIXDJF-PGUFJCEWSA-N -1 1 644.797 7.176 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc1)c1ccccc1)CCCC2 ZINC000150462397 571506549 /nfs/dbraw/zinc/50/65/49/571506549.db2.gz CJSQRBMDZLVBRR-SSEXGKCCSA-N -1 1 646.787 6.758 50 0 KKAAMM COc1ccc(CCN2C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](N([O-])C(=O)Nc3cccc(C(F)(F)F)c3)C2(C)C)cc1OC ZINC000150496653 571518091 /nfs/dbraw/zinc/51/80/91/571518091.db2.gz DWUBBCKQHIHWAJ-VWLOTQADSA-N -1 1 640.581 7.254 50 0 KKAAMM C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000170626729 571563054 /nfs/dbraw/zinc/56/30/54/571563054.db2.gz NNBDLEZASZBUJK-CQSZACIVSA-N -1 1 514.978 6.279 50 0 KKAAMM CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCc3nnc([N-]c4ccc(Cl)cc4)o3)cc21 ZINC000261490821 572109820 /nfs/dbraw/zinc/10/98/20/572109820.db2.gz GLPCBRLVSNQADR-UHFFFAOYSA-N -1 1 509.006 6.991 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccc(OC)c(OC(C)C)c2)cc1OC 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COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2coc3ccc(C)cc3c2=O)cc1OC ZINC000263586916 572125802 /nfs/dbraw/zinc/12/58/02/572125802.db2.gz ZPQSCMDVMOBZID-INIZCTEOSA-N -1 1 526.497 5.039 50 0 KKAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226919459 572145300 /nfs/dbraw/zinc/14/53/00/572145300.db2.gz YEQKIUHBYOXGIP-OJDZSJEKSA-N -1 1 534.612 6.024 50 0 KKAAMM COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000245226184 572203681 /nfs/dbraw/zinc/20/36/81/572203681.db2.gz JVQKSUQLLRSLAI-QLVXXPONSA-N -1 1 537.634 5.422 50 0 KKAAMM Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C([O-])c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311334 572229473 /nfs/dbraw/zinc/22/94/73/572229473.db2.gz NSEJNWAPSCOJBY-OAJQQGRKSA-N -1 1 534.999 6.098 50 0 KKAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@H](Cc2ccccc2)CCN31 ZINC000245326451 572232423 /nfs/dbraw/zinc/23/24/23/572232423.db2.gz KGHXEFUYJKAMSZ-MZUDQNLYSA-N -1 1 544.655 5.192 50 0 KKAAMM COc1ccc(CCNC(=O)C[C@H]2c3cccnc3Oc3cc(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1 ZINC000253411982 572287637 /nfs/dbraw/zinc/28/76/37/572287637.db2.gz PMOCWJBQLGYRFO-QHCPKHFHSA-N -1 1 534.568 5.556 50 0 KKAAMM Cc1cc(C)c2nc3c(cc2c1)[C@H](CC(=O)N1CCCCC1)c1c(cc([O-])c2c(=O)cc(-c4ccccc4)oc21)O3 ZINC000253414550 572289013 /nfs/dbraw/zinc/28/90/13/572289013.db2.gz XTNXTQUMRXKDQM-QHCPKHFHSA-N -1 1 546.623 6.971 50 0 KKAAMM Cc1cc(C)c2nc3c(cc2c1)[C@H](CC(=O)N1CCCCC1)c1c(cc(=O)c2c([O-])cc(-c4ccccc4)oc1-2)O3 ZINC000253414550 572289015 /nfs/dbraw/zinc/28/90/15/572289015.db2.gz XTNXTQUMRXKDQM-QHCPKHFHSA-N -1 1 546.623 6.971 50 0 KKAAMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000035239336 1069725725 /nfs/dbraw/zinc/72/57/25/1069725725.db2.gz GYBLTWPQKRDEHR-OEAKJJBVSA-N -1 1 504.036 7.101 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)cc1OC ZINC000524729410 1069827066 /nfs/dbraw/zinc/82/70/66/1069827066.db2.gz SKLCJEQZZATDSZ-DEOSSOPVSA-N -1 1 636.653 6.189 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCCc3ccc4c(c3)CCO4)c(OC)c2)cc1OC ZINC000524729410 1069827085 /nfs/dbraw/zinc/82/70/85/1069827085.db2.gz SKLCJEQZZATDSZ-DEOSSOPVSA-N -1 1 636.653 6.189 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)c2=O)cc1OC ZINC000524732150 1069836304 /nfs/dbraw/zinc/83/63/04/1069836304.db2.gz ZHOMOKSXIMUJFE-XMMPIXPASA-N -1 1 606.627 6.180 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2ccccc2OCCc2ccc3c(c2)CCO3)cc1OC ZINC000524732150 1069836318 /nfs/dbraw/zinc/83/63/18/1069836318.db2.gz ZHOMOKSXIMUJFE-XMMPIXPASA-N -1 1 606.627 6.180 50 0 KKAAMM COc1ccc(/C=C\C(=O)Nc2cc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)ccc2Cl)cc1OC ZINC000102999380 1069852776 /nfs/dbraw/zinc/85/27/76/1069852776.db2.gz HIMNZGHQUXZUHO-QCDXTXTGSA-N -1 1 555.024 6.125 50 0 KKAAMM O=C(NCc1cccnc1)c1cc(NCc2ccc(-c3ccco3)cc2)cc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000102395965 1069856437 /nfs/dbraw/zinc/85/64/37/1069856437.db2.gz IKKMGKQEGIKVJL-UHFFFAOYSA-N -1 1 538.629 5.685 50 0 KKAAMM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(-c3ccc(S(=O)(=O)Nc4ncccn4)cc3)o1)CC2 ZINC000102970415 1071056960 /nfs/dbraw/zinc/05/69/60/1071056960.db2.gz ZYOZPSANOVIOIH-VLGSPTGOSA-N -1 1 524.558 5.271 50 0 KKAAMM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000102970865 1071059102 /nfs/dbraw/zinc/05/91/02/1071059102.db2.gz OSRAPIOVMPWTRR-ZPHPHTNESA-N -1 1 538.585 5.661 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)/C=C\c3ccc4c(c3)OCO4)c2)cc1Br ZINC000102994267 1071081366 /nfs/dbraw/zinc/08/13/66/1071081366.db2.gz ZBYNDRMVVHKVLW-WMZJFQQLSA-N -1 1 579.856 5.683 50 0 KKAAMM O=C(/C=C\c1cccs1)Nc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1Cl ZINC000033517046 1071199057 /nfs/dbraw/zinc/19/90/57/1071199057.db2.gz FGPJQUDGRDCYRV-YFHOEESVSA-N -1 1 501.001 6.169 50 0 KKAAMM CN(C1CC1)S(=O)(=O)c1scc([N-]c2nsnc2N[C@@H](c2cc(CCCCN3CC[NH+](C)CC3)co2)C(C)(C)C)c1[O-] ZINC000143346489 1071266919 /nfs/dbraw/zinc/26/69/19/1071266919.db2.gz UGRITDHTNJSXII-DEOSSOPVSA-N -1 1 637.898 5.194 50 0 KKAAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)O4)cc1O ZINC000217914298 1071294042 /nfs/dbraw/zinc/29/40/42/1071294042.db2.gz AMLCPQUTXNHDEU-QGZVFWFLSA-N -1 1 518.518 5.117 50 0 biogenic KKAAMM CCCCCCc1cc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=Nc3ccc(Br)cc3)oc2cc1[O-] ZINC000254295337 1072844854 /nfs/dbraw/zinc/84/48/54/1072844854.db2.gz SWHFQUQTJFTNFA-UHFFFAOYSA-N -1 1 589.555 9.055 50 0 KKAAMM N=C1N=C(c2cc(F)ccc2F)C(=NNc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)S1 ZINC000254483402 1072857299 /nfs/dbraw/zinc/85/72/99/1072857299.db2.gz BPOVEGJZUYHUQR-UHFFFAOYSA-N -1 1 505.959 5.315 50 0 KKAAMM N=C1N=C(c2cc(F)ccc2F)C(=NNc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2Cl)S1 ZINC000254497480 1072859078 /nfs/dbraw/zinc/85/90/78/1072859078.db2.gz DIVCQEAKBRIKBF-UHFFFAOYSA-N -1 1 540.404 5.969 50 0 KKAAMM N=C1N=C(c2ccc(Cl)cc2)C(=NNc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)S1 ZINC000254667935 1072869842 /nfs/dbraw/zinc/86/98/42/1072869842.db2.gz FSNFLOSHASGQNU-UHFFFAOYSA-N -1 1 504.424 5.690 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(N=NCc3ccc(-c4ccccc4Cl)o3)c([N+](=O)[O-])c2)c(C)c1 ZINC000254812448 1072880384 /nfs/dbraw/zinc/88/03/84/1072880384.db2.gz FSKLUYAWSPPJMO-UHFFFAOYSA-N -1 1 524.986 6.372 50 0 KKAAMM COc1ccc2ccccc2c1C=NNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000254821580 1072881234 /nfs/dbraw/zinc/88/12/34/1072881234.db2.gz WKARRBUICRWNAS-UHFFFAOYSA-N -1 1 538.423 5.176 50 0 KKAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2 ZINC000000625978 551503766 /nfs/dbraw/zinc/50/37/66/551503766.db2.gz TYAVKFKUMHAMLF-UHFFFAOYSA-N -1 1 518.616 5.116 50 0 KKAAMM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000650863 551512496 /nfs/dbraw/zinc/51/24/96/551512496.db2.gz CLQYTBAMPRRTFO-UHFFFAOYSA-N -1 1 522.630 6.209 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000651581 551512852 /nfs/dbraw/zinc/51/28/52/551512852.db2.gz RQLCQVHZLXGYHT-UHFFFAOYSA-N -1 1 551.835 6.872 50 0 KKAAMM Cc1nn(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Cl)c(Cl)c4)cc3)o2)c(C)c1Br ZINC000000659059 551514634 /nfs/dbraw/zinc/51/46/34/551514634.db2.gz NANLMRDKAANBFE-UHFFFAOYSA-N -1 1 598.306 6.264 50 0 KKAAMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3Br)cc2)c1 ZINC000000674208 551520914 /nfs/dbraw/zinc/52/09/14/551520914.db2.gz MVNBQUYFPXXOSD-UHFFFAOYSA-N -1 1 568.287 5.647 50 0 KKAAMM O=S(=O)([N-]c1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCC1)c1ccc(Cl)cc1 ZINC000000727401 551538383 /nfs/dbraw/zinc/53/83/83/551538383.db2.gz PTZCZNOSRANPCS-UHFFFAOYSA-N -1 1 521.447 5.475 50 0 KKAAMM CCOC(=O)c1c(C)n(S(=O)(=O)c2ccc(Cl)cc2)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000000879750 551555749 /nfs/dbraw/zinc/55/57/49/551555749.db2.gz HLMMPAWTSGRPON-UHFFFAOYSA-N -1 1 567.472 5.471 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000001245087 551631570 /nfs/dbraw/zinc/63/15/70/551631570.db2.gz YLGAAINXBDTYSZ-RCRUUEGKSA-N -1 1 524.573 5.888 50 0 KKAAMM COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001408970 551663717 /nfs/dbraw/zinc/66/37/17/551663717.db2.gz FNWADMKLGSWNIG-ROTAYESASA-N -1 1 526.589 6.119 50 0 KKAAMM O=C1[C@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002058807 551740905 /nfs/dbraw/zinc/74/09/05/551740905.db2.gz CLYDMFNODINRQV-TUUBTQOTSA-N -1 1 559.641 5.455 50 0 KKAAMM O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1 ZINC000002139085 551774463 /nfs/dbraw/zinc/77/44/63/551774463.db2.gz HQDHYCCBOCBBIP-VWLOTQADSA-N -1 1 535.552 5.609 50 0 biogenic KKAAMM O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)OCc1ccccc1 ZINC000002139085 551774464 /nfs/dbraw/zinc/77/44/64/551774464.db2.gz HQDHYCCBOCBBIP-VWLOTQADSA-N -1 1 535.552 5.609 50 0 biogenic KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(Cl)cc3)c2cc1OC ZINC000002320375 552093912 /nfs/dbraw/zinc/09/39/12/552093912.db2.gz UEAIOYLWOXAHDY-UHFFFAOYSA-N -1 1 529.014 5.314 50 0 KKAAMM COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)[N-]c1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002561838 552129850 /nfs/dbraw/zinc/12/98/50/552129850.db2.gz JTRZXQLZBNMQIJ-UHFFFAOYSA-N -1 1 577.002 5.439 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(NC(=O)CCC(=O)N4CCc5ccccc5C4)n3)c(=O)oc2cc1[O-] ZINC000002956343 552231063 /nfs/dbraw/zinc/23/10/63/552231063.db2.gz LMYCEJNIPFJMBM-UHFFFAOYSA-N -1 1 559.688 6.049 50 0 KKAAMM COc1ccc(Cl)cc1-n1c2nc(SCc3csc4ccc(Cl)cc34)[n-]c(=O)c2sc1=S ZINC000003034169 552268873 /nfs/dbraw/zinc/26/88/73/552268873.db2.gz NCYVKGGOGDLAFE-UHFFFAOYSA-N -1 1 538.528 7.327 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)CCCC2 ZINC000003167121 552298318 /nfs/dbraw/zinc/29/83/18/552298318.db2.gz OTGVEMHQXASAMR-UHFFFAOYSA-N -1 1 519.044 5.510 50 0 KKAAMM Cc1ccc(C(=O)OC(c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003179891 552300275 /nfs/dbraw/zinc/30/02/75/552300275.db2.gz DGMOREJJWQEIPT-UHFFFAOYSA-N -1 1 517.447 5.973 50 0 KKAAMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000003191877 552302397 /nfs/dbraw/zinc/30/23/97/552302397.db2.gz QXANVRVNDJHVPF-QFIPXVFZSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000003191877 552302398 /nfs/dbraw/zinc/30/23/98/552302398.db2.gz QXANVRVNDJHVPF-QFIPXVFZSA-N -1 1 501.535 5.412 50 0 biogenic KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCN(c4ccccc4Cl)CC3)c2)cc1C ZINC000003215352 552306791 /nfs/dbraw/zinc/30/67/91/552306791.db2.gz GDNGYBYGNNNCQX-UHFFFAOYSA-N -1 1 518.466 5.373 50 0 KKAAMM Cc1cc(C)cc(NC(=O)CSc2nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3o2)c1 ZINC000003262339 552327055 /nfs/dbraw/zinc/32/70/55/552327055.db2.gz HSTHEVRUQSQRDM-UHFFFAOYSA-N -1 1 502.017 5.630 50 0 KKAAMM Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(S(=O)(=O)[N-]c5ccccc5)cc4)cc3)sc2c1 ZINC000003340828 552362720 /nfs/dbraw/zinc/36/27/20/552362720.db2.gz ZQFQPIKCDUBFKD-UHFFFAOYSA-N -1 1 557.653 5.868 50 0 KKAAMM CCc1c(C)sc2nc(-c3ccc(C(=O)OCC(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)[n-]c(=O)c12 ZINC000003533726 552391002 /nfs/dbraw/zinc/39/10/02/552391002.db2.gz LQZZPUISVFXHJA-UHFFFAOYSA-N -1 1 551.668 5.908 50 0 KKAAMM O=C([O-])CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)[nH]oc2c1 ZINC000003816510 552418518 /nfs/dbraw/zinc/41/85/18/552418518.db2.gz DALCQQSLNPLQFZ-UHFFFAOYSA-N -1 1 517.534 5.388 50 0 investigational KKAAMM CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3[n-]cc(C(=O)N(CCc4ccccc4)Cc4ccccc4)c(=O)c3c2)cc1 ZINC000004654504 552471396 /nfs/dbraw/zinc/47/13/96/552471396.db2.gz ZNKWRMWNIHTTDZ-UHFFFAOYSA-N -1 1 593.749 6.362 50 0 KKAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006140280 552542670 /nfs/dbraw/zinc/54/26/70/552542670.db2.gz OPDUPXVZGLYBAJ-GFCCVEGCSA-N -1 1 529.348 5.256 50 0 KKAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)c1 ZINC000006141679 552542976 /nfs/dbraw/zinc/54/29/76/552542976.db2.gz QWKQSNVZNSAUIA-DQMJNTIXSA-N -1 1 501.645 5.265 50 0 KKAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000006140413 552542995 /nfs/dbraw/zinc/54/29/95/552542995.db2.gz MODPSUXYPDWCSI-GFCCVEGCSA-N -1 1 529.348 5.256 50 0 KKAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006141966 552543251 /nfs/dbraw/zinc/54/32/51/552543251.db2.gz YQPHYWAWTHDDTH-HXUWFJFHSA-N -1 1 574.611 5.235 50 0 KKAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)c(C(C)=O)c(C)n3S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000006142491 552543906 /nfs/dbraw/zinc/54/39/06/552543906.db2.gz BEWPUWWFOYBLAK-UHFFFAOYSA-N -1 1 524.664 5.315 50 0 KKAAMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)c1 ZINC000006144251 552545828 /nfs/dbraw/zinc/54/58/28/552545828.db2.gz ZVYJFTPGXDXYKL-AWEZNQCLSA-N -1 1 541.840 5.940 50 0 KKAAMM CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)c1C ZINC000006154242 552552107 /nfs/dbraw/zinc/55/21/07/552552107.db2.gz YVYVYZLKRFREBX-FQEVSTJZSA-N -1 1 568.692 5.643 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(c4ccccc24)O[C@@]2(C3)N(C)c3ccccc3C2(C)C)cc1 ZINC000006229104 552571569 /nfs/dbraw/zinc/57/15/69/552571569.db2.gz VBHRIZIGIBFTIK-SSEXGKCCSA-N -1 1 514.647 6.098 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000006235166 552572007 /nfs/dbraw/zinc/57/20/07/552572007.db2.gz BGWVUMDWXBNVTR-PMACEKPBSA-N -1 1 559.654 6.803 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000006235164 552572074 /nfs/dbraw/zinc/57/20/74/552572074.db2.gz VWTUGJMORUGBQU-WOJBJXKFSA-N -1 1 526.102 6.438 50 0 KKAAMM O=C(Oc1cccc(N2CCOCC2)c1)c1ccc(CSC(=S)[N-]CCc2ccc(Cl)cc2)cc1 ZINC000008616655 553102731 /nfs/dbraw/zinc/10/27/31/553102731.db2.gz OJUMRXGYJJWJQP-UHFFFAOYSA-N -1 1 527.111 5.746 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc(F)cc1 ZINC000008934124 553192683 /nfs/dbraw/zinc/19/26/83/553192683.db2.gz SYMGREPVKVLPTQ-QFIPXVFZSA-N -1 1 517.388 6.603 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc(Cl)c2)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000008934562 553192874 /nfs/dbraw/zinc/19/28/74/553192874.db2.gz DQXIYZJYSKKPGU-IBGZPJMESA-N -1 1 516.048 5.891 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2ccc(Cl)cc2)[C@@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000008951485 553193758 /nfs/dbraw/zinc/19/37/58/553193758.db2.gz LACCZZQFCFXGGI-LJQANCHMSA-N -1 1 516.048 5.891 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])c1 ZINC000009432165 553261428 /nfs/dbraw/zinc/26/14/28/553261428.db2.gz BBTSFMAGBNGGOZ-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000009432160 553261434 /nfs/dbraw/zinc/26/14/34/553261434.db2.gz TURBAZZNERXBTP-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432178 553261593 /nfs/dbraw/zinc/26/15/93/553261593.db2.gz PBQZUEMBZMLVIP-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432203 553261596 /nfs/dbraw/zinc/26/15/96/553261596.db2.gz RJGJOHBJMDGYOD-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000009432195 553261607 /nfs/dbraw/zinc/26/16/07/553261607.db2.gz YZGWSZOWHJVTGX-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000009432185 553261636 /nfs/dbraw/zinc/26/16/36/553261636.db2.gz BPCMKJATVPZIDI-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000009432183 553261655 /nfs/dbraw/zinc/26/16/55/553261655.db2.gz NDDVSRLUCJHLGS-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432244 553261938 /nfs/dbraw/zinc/26/19/38/553261938.db2.gz AYVSUAMNGBHYJI-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432241 553261956 /nfs/dbraw/zinc/26/19/56/553261956.db2.gz AYVSUAMNGBHYJI-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)c1 ZINC000009432234 553261968 /nfs/dbraw/zinc/26/19/68/553261968.db2.gz ACJGLYFWHOCXCI-DQEYMECFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000009432222 553261986 /nfs/dbraw/zinc/26/19/86/553261986.db2.gz CKUJVHJRCRENBT-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432276 553262204 /nfs/dbraw/zinc/26/22/04/553262204.db2.gz RCBWELSPPJSFCM-KAYWLYCHSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000009432316 553262709 /nfs/dbraw/zinc/26/27/09/553262709.db2.gz ALPAYZTXJCMBRV-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cc1 ZINC000009445301 553265079 /nfs/dbraw/zinc/26/50/79/553265079.db2.gz QCMIJISPRCFUGK-QGZVFWFLSA-N -1 1 507.637 5.484 50 0 KKAAMM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccccc2Cl)s1 ZINC000009597251 553283555 /nfs/dbraw/zinc/28/35/55/553283555.db2.gz VGLAOZZZHNBDEF-VWNXMTODSA-N -1 1 519.026 5.527 50 0 KKAAMM CCOc1ccccc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000012252705 553355544 /nfs/dbraw/zinc/35/55/44/553355544.db2.gz MVXXYLOIUZDSCS-UHFFFAOYSA-N -1 1 507.637 5.347 50 0 KKAAMM COc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000012311457 553357374 /nfs/dbraw/zinc/35/73/74/553357374.db2.gz BNVKIABMDQYKOA-UHFFFAOYSA-N -1 1 519.545 5.367 50 0 KKAAMM O=C(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012561142 553394604 /nfs/dbraw/zinc/39/46/04/553394604.db2.gz QBEYKJBOYZAAJZ-UHFFFAOYSA-N -1 1 511.647 5.035 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000012578984 553398903 /nfs/dbraw/zinc/39/89/03/553398903.db2.gz UFJPYGYJQXCRIM-UHFFFAOYSA-N -1 1 523.989 5.526 50 0 KKAAMM Cc1ccc(NC(=O)COc2cccc(Br)c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000013017795 553433240 /nfs/dbraw/zinc/43/32/40/553433240.db2.gz YQANCRMOHNEYQX-UHFFFAOYSA-N -1 1 509.809 5.229 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013937383 553495997 /nfs/dbraw/zinc/49/59/97/553495997.db2.gz HZHRGLOFGZUWOV-UHFFFAOYSA-N -1 1 504.823 6.396 50 0 KKAAMM CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000017085970 553587773 /nfs/dbraw/zinc/58/77/73/553587773.db2.gz WDDQICMSCYFJLC-VVVCHXIZSA-N -1 1 514.283 5.984 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CNc2ncc(Br)cc2Br)cc1 ZINC000020171467 553602172 /nfs/dbraw/zinc/60/21/72/553602172.db2.gz YGEOJKFJMYWQCK-UHFFFAOYSA-N -1 1 511.239 5.328 50 0 aggregator KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018179217 553607448 /nfs/dbraw/zinc/60/74/48/553607448.db2.gz YCFGIEJBOWXYAF-NHKHRBQYSA-N -1 1 514.622 5.878 50 0 KKAAMM Nc1nc(-c2ccc(OCc3ccc(Br)cc3)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000071386338 553635643 /nfs/dbraw/zinc/63/56/43/553635643.db2.gz RIKQFOSVBRQMIS-UHFFFAOYSA-N -1 1 550.762 7.112 50 0 KKAAMM Nc1nc(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])c(-c2ccc(Cl)cc2)c(C(F)(F)F)n1 ZINC000071382589 553635776 /nfs/dbraw/zinc/63/57/76/553635776.db2.gz MVOPPRCDVTZJPQ-UHFFFAOYSA-N -1 1 524.301 7.142 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490526 553660445 /nfs/dbraw/zinc/66/04/45/553660445.db2.gz NWSRZZYVUFWCMS-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000020490558 553660661 /nfs/dbraw/zinc/66/06/61/553660661.db2.gz JMFBYYCWIZEXNI-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490534 553660727 /nfs/dbraw/zinc/66/07/27/553660727.db2.gz NXLSZPDVDTUEMK-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490566 553660733 /nfs/dbraw/zinc/66/07/33/553660733.db2.gz XMPLHIXGFUECHQ-RPWUZVMVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000020490634 553661110 /nfs/dbraw/zinc/66/11/10/553661110.db2.gz ORMXBYKDBYQCEH-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490602 553661225 /nfs/dbraw/zinc/66/12/25/553661225.db2.gz JWFIYBHWKDMLJS-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490686 553661479 /nfs/dbraw/zinc/66/14/79/553661479.db2.gz JPCYLEYOLHUXDK-DNQXCXABSA-N -1 1 520.561 5.151 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-])Nc1ccccc1 ZINC000020490656 553661558 /nfs/dbraw/zinc/66/15/58/553661558.db2.gz YUAPJFXHQIUYKS-XZOQPEGZSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490700 553661652 /nfs/dbraw/zinc/66/16/52/553661652.db2.gz BTEUHYGAXQQNFL-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020490694 553661724 /nfs/dbraw/zinc/66/17/24/553661724.db2.gz QFHNDUXDOSABRO-JWQCQUIFSA-N -1 1 518.589 5.760 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1F ZINC000020490745 553662096 /nfs/dbraw/zinc/66/20/96/553662096.db2.gz YQRQUBLMJMPKLT-PKTZIBPZSA-N -1 1 508.525 5.282 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000020490844 553662482 /nfs/dbraw/zinc/66/24/82/553662482.db2.gz DYHSCVCSYNGMJZ-RSXGOPAZSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490799 553662523 /nfs/dbraw/zinc/66/25/23/553662523.db2.gz SZJYVLDUBHCXLT-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490855 553662771 /nfs/dbraw/zinc/66/27/71/553662771.db2.gz WGDFYHIRPMGLPK-JWQCQUIFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490861 553662827 /nfs/dbraw/zinc/66/28/27/553662827.db2.gz APFGQZCEVKLPJB-RRPNLBNLSA-N -1 1 510.663 6.098 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490936 553663320 /nfs/dbraw/zinc/66/33/20/553663320.db2.gz DHDYUENTGHLPTM-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020490992 553663605 /nfs/dbraw/zinc/66/36/05/553663605.db2.gz RRHXIYFNPQWTTG-RPWUZVMVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000020490990 553663734 /nfs/dbraw/zinc/66/37/34/553663734.db2.gz RRHXIYFNPQWTTG-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000020491018 553663764 /nfs/dbraw/zinc/66/37/64/553663764.db2.gz MDKGUXZPXLFGRR-SVBPBHIXSA-N -1 1 526.662 5.798 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020491086 553664120 /nfs/dbraw/zinc/66/41/20/553664120.db2.gz NRTDNCXOJQFSDS-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491282 553665060 /nfs/dbraw/zinc/66/50/60/553665060.db2.gz WDTBQIKFJOOCLC-BJKOFHAPSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5ccccc5n(CC(C)C)c3=O)CC(=O)O4)c2=O)cc1 ZINC000085878780 553689611 /nfs/dbraw/zinc/68/96/11/553689611.db2.gz WTQALJJLUVNQLC-NRFANRHFSA-N -1 1 537.568 5.586 50 0 biogenic KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3ccccc3n(CC(C)C)c2=O)cc1 ZINC000085878780 553689614 /nfs/dbraw/zinc/68/96/14/553689614.db2.gz WTQALJJLUVNQLC-NRFANRHFSA-N -1 1 537.568 5.586 50 0 biogenic KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3C)s2)cc1 ZINC000020850097 553699703 /nfs/dbraw/zinc/69/97/03/553699703.db2.gz FTHDGKJFTNYXTI-RRPNLBNLSA-N -1 1 510.663 6.044 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(Cl)cc1 ZINC000020903608 553701538 /nfs/dbraw/zinc/70/15/38/553701538.db2.gz ZPYLKQAXITUTBB-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000020903680 553701912 /nfs/dbraw/zinc/70/19/12/553701912.db2.gz GAQGYJYKSKOBCN-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020903631 553701967 /nfs/dbraw/zinc/70/19/67/553701967.db2.gz YPYGLDUMZZFPMD-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020903724 553702195 /nfs/dbraw/zinc/70/21/95/553702195.db2.gz BNURSXRXULOLHR-RPBOFIJWSA-N -1 1 517.054 6.080 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020903720 553702203 /nfs/dbraw/zinc/70/22/03/553702203.db2.gz BNURSXRXULOLHR-JWQCQUIFSA-N -1 1 517.054 6.080 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000020903728 553702262 /nfs/dbraw/zinc/70/22/62/553702262.db2.gz IWNYRWXEYKZBHA-JWQCQUIFSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020903706 553702275 /nfs/dbraw/zinc/70/22/75/553702275.db2.gz ADBJFJPESHZPRY-DQEYMECFSA-N -1 1 500.599 5.566 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903815 553702544 /nfs/dbraw/zinc/70/25/44/553702544.db2.gz OAGSRGVJQKZFMG-JWQCQUIFSA-N -1 1 518.589 5.760 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020903795 553702640 /nfs/dbraw/zinc/70/26/40/553702640.db2.gz YLHASALQOBNZNC-DQEYMECFSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)nc1[O-] ZINC000020903964 553702918 /nfs/dbraw/zinc/70/29/18/553702918.db2.gz MXBYVFRZOLVLRC-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903960 553702986 /nfs/dbraw/zinc/70/29/86/553702986.db2.gz MNKXAFWYIFSSDZ-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904040 553703223 /nfs/dbraw/zinc/70/32/23/553703223.db2.gz HQDPVZJFJHJVEA-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904046 553703529 /nfs/dbraw/zinc/70/35/29/553703529.db2.gz XLLBTVBWQGMWMW-DQEYMECFSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904078 553703665 /nfs/dbraw/zinc/70/36/65/553703665.db2.gz NTDHYMJLBZESFT-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM O=P1(Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000096022203 553720044 /nfs/dbraw/zinc/72/00/44/553720044.db2.gz KYRUDKUBCVMWNZ-UHFFFAOYSA-N -1 1 548.988 7.858 50 0 KKAAMM CCCn1c(C(=O)NCCc2ccccn2)cc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000096276394 553733230 /nfs/dbraw/zinc/73/32/30/553733230.db2.gz QVYYYPFAAFKXHT-UHFFFAOYSA-N -1 1 518.683 5.517 50 0 KKAAMM CCOc1cc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)n3C)cs2)cc(Br)c1[O-] ZINC000097947960 553790032 /nfs/dbraw/zinc/79/00/32/553790032.db2.gz WGKUSHKIHPQMIK-UHFFFAOYSA-N -1 1 547.456 5.493 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2cccc3ccccc32)N(c2cccc3ccccc32)C(=O)N1CCc1ccccc1 ZINC000097949445 553802009 /nfs/dbraw/zinc/80/20/09/553802009.db2.gz GFQATZYDWXKFGC-HKBQPEDESA-N -1 1 544.655 7.506 50 0 KKAAMM CC1(C)SC(=S)N(NC(=O)Nc2cccc3ccccc32)[C@H]1N([O-])C(=O)Nc1cccc2ccccc21 ZINC000097949698 553802775 /nfs/dbraw/zinc/80/27/75/553802775.db2.gz OYTPXSFZCILRAB-QHCPKHFHSA-N -1 1 531.663 6.391 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C2CCCCC2)c1CN1CCN(c2ccccc2)CC1 ZINC000097951860 553811777 /nfs/dbraw/zinc/81/17/77/553811777.db2.gz ZZDWNXVFHDPPKY-UHFFFAOYSA-N -1 1 540.502 6.114 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2NCc2ccc(F)cc2)c1 ZINC000029748861 553850074 /nfs/dbraw/zinc/85/00/74/553850074.db2.gz LVEDZYPCHHLGSE-UHFFFAOYSA-N -1 1 574.678 5.210 50 0 KKAAMM COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)[C@@H]2c1ccccc1OC ZINC000097965185 553903355 /nfs/dbraw/zinc/90/33/55/553903355.db2.gz OBAGIZSCDAIYAK-BPGKADNTSA-N -1 1 642.177 7.595 50 0 KKAAMM CCCCCCc1cc2cc(-c3cnc(N4N=C5/C(=C/c6ccc(Cl)cc6)CCC[C@@H]5[C@H]4c4ccc(Cl)cc4)s3)c(=O)oc2cc1[O-] ZINC000097965237 553903977 /nfs/dbraw/zinc/90/39/77/553903977.db2.gz YIISXKAPYGFZJC-KBMZAOEJSA-N -1 1 684.689 10.853 50 0 KKAAMM COc1ccc(-c2nc(CSc3nc4c(c(=O)[n-]3)CN(Cc3ccc(Cl)cc3)CC4)c(C)o2)cc1 ZINC000033267984 553919436 /nfs/dbraw/zinc/91/94/36/553919436.db2.gz RFYSTJIGPMFFLK-UHFFFAOYSA-N -1 1 509.031 5.658 50 0 KKAAMM Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000033353008 553922895 /nfs/dbraw/zinc/92/28/95/553922895.db2.gz XIZJMKQAGJBTQL-UHFFFAOYSA-N -1 1 618.234 5.257 50 0 KKAAMM O=C(NC1CCCCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033357134 553946725 /nfs/dbraw/zinc/94/67/25/553946725.db2.gz NYWUMKWAPKOHBT-VWNXMTODSA-N -1 1 609.192 5.769 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccc2c(c1)OCO2 ZINC000033357663 553950136 /nfs/dbraw/zinc/95/01/36/553950136.db2.gz BTWQNTNQAXRYOM-QPPBQGQZSA-N -1 1 550.999 5.386 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000097971221 553961604 /nfs/dbraw/zinc/96/16/04/553961604.db2.gz FEIUURSBSRXRLE-GMBSILDASA-N -1 1 670.143 7.035 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 ZINC000097971225 553961698 /nfs/dbraw/zinc/96/16/98/553961698.db2.gz YLFDOCFAUXVIDQ-SLVOXBHTSA-N -1 1 562.047 6.764 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000097978628 553975227 /nfs/dbraw/zinc/97/52/27/553975227.db2.gz XCHXBXKBTKKHFD-UIOOFZCWSA-N -1 1 528.703 6.149 50 0 KKAAMM COc1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)oc1ccccc12 ZINC000033870161 553975545 /nfs/dbraw/zinc/97/55/45/553975545.db2.gz PRUOEELCFKAIPM-UHFFFAOYSA-N -1 1 500.576 6.265 50 0 KKAAMM C[C@@H]1Cc2c(nc3ccccc3c2C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)/C(=C/c2ccccc2)C1 ZINC000097979043 553975798 /nfs/dbraw/zinc/97/57/98/553975798.db2.gz FZGNSUXAMWYJNF-WXNAFCGMSA-N -1 1 556.565 6.073 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@@H]3[C@@H]2c2ccc(OC)cc2)n1 ZINC000097979376 553978726 /nfs/dbraw/zinc/97/87/26/553978726.db2.gz KWXPAEFDRPNJAI-LMDFIPRNSA-N -1 1 558.704 5.655 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)C/C3=C\c2cccs2)cc1 ZINC000097979654 553981095 /nfs/dbraw/zinc/98/10/95/553981095.db2.gz RQNIBVANFQLLLX-TWXKGHLFSA-N -1 1 594.777 7.856 50 0 KKAAMM O=C1N(Cc2cccc(OC(F)(F)F)c2)CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034666986 553981774 /nfs/dbraw/zinc/98/17/74/553981774.db2.gz JQLMOZBEXXLBED-UHFFFAOYSA-N -1 1 505.518 5.218 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)ccc2N2CCCCC2)cc1 ZINC000097980121 553985595 /nfs/dbraw/zinc/98/55/95/553985595.db2.gz DEGOBDMAWSXNPR-VCHYOVAHSA-N -1 1 668.838 5.321 50 0 KKAAMM O=C(NC(=S)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-])c1sc2ccccc2c1Cl ZINC000097982374 554001579 /nfs/dbraw/zinc/00/15/79/554001579.db2.gz PZLINWXFSHEIJC-UHFFFAOYSA-N -1 1 552.486 5.841 50 0 KKAAMM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982883 554005587 /nfs/dbraw/zinc/00/55/87/554005587.db2.gz FZXOPJBNPLMRLV-UHFFFAOYSA-N -1 1 594.473 5.986 50 0 KKAAMM Brc1ccc(N2N=C(c3ccccc3)[N-]P23(c2ccccc2)OCCO3)c(Br)c1 ZINC000097982952 554006678 /nfs/dbraw/zinc/00/66/78/554006678.db2.gz WPWHXURZDWNOFE-UHFFFAOYSA-N -1 1 535.176 5.569 50 0 KKAAMM CC(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000035910522 554094587 /nfs/dbraw/zinc/09/45/87/554094587.db2.gz FQPWBJHNBLZZFQ-HHHXNRCGSA-N -1 1 508.709 6.687 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000035912491 554096073 /nfs/dbraw/zinc/09/60/73/554096073.db2.gz HNBAEDKWLMBVHJ-QHCPKHFHSA-N -1 1 517.470 5.645 50 0 KKAAMM CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1 ZINC000098021348 554118026 /nfs/dbraw/zinc/11/80/26/554118026.db2.gz UYAFAFXXOFWWJV-DEOSSOPVSA-N -1 1 531.497 6.152 50 0 KKAAMM CCC(=O)N1CCN(c2ccc(NC=Cc3cc(Br)cc(Br)c3[O-])cc2)CC1 ZINC000100019222 554181964 /nfs/dbraw/zinc/18/19/64/554181964.db2.gz DOMQAJCZTPHZGR-BQYQJAHWSA-N -1 1 509.242 5.059 50 0 KKAAMM CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000037384935 554238986 /nfs/dbraw/zinc/23/89/86/554238986.db2.gz ZFSWANRVQOSRSQ-UHFFFAOYSA-N -1 1 502.518 5.461 50 0 KKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484932 554287075 /nfs/dbraw/zinc/28/70/75/554287075.db2.gz GSMIDCYYHGAIAX-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])ccc1F ZINC000040484934 554287187 /nfs/dbraw/zinc/28/71/87/554287187.db2.gz GSMIDCYYHGAIAX-ZEQRLZLVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000041097607 554294952 /nfs/dbraw/zinc/29/49/52/554294952.db2.gz AZHJBBPOOADSAG-UHFFFAOYSA-N -1 1 511.843 7.006 50 0 KKAAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)CCC(=O)[O-])[C@@H]3c2cccs2)cc1 ZINC000100427097 554389444 /nfs/dbraw/zinc/38/94/44/554389444.db2.gz CDWGTSZSUYMQAZ-SONOPUAISA-N -1 1 516.619 6.480 50 0 KKAAMM O=C(NC1CCCCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000059513599 554400792 /nfs/dbraw/zinc/40/07/92/554400792.db2.gz IFARHSKYOLPSNF-VWNXMTODSA-N -1 1 592.737 5.255 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1I ZINC000059620606 554414008 /nfs/dbraw/zinc/41/40/08/554414008.db2.gz FSRKRMJKOXBFPP-UHFFFAOYSA-N -1 1 546.308 5.363 50 0 KKAAMM CCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000100698780 554451374 /nfs/dbraw/zinc/45/13/74/554451374.db2.gz BWNYHLKCMBIXPP-UHFFFAOYSA-N -1 1 536.676 7.225 50 0 KKAAMM O=C(COc1ccc(Cl)cc1Cl)[N-][C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(Cl)(Cl)Cl ZINC000100724110 554456284 /nfs/dbraw/zinc/45/62/84/554456284.db2.gz BFTLHXFQRXLAPQ-OAHLLOKOSA-N -1 1 544.999 6.969 50 0 KKAAMM COc1cccc(-c2noc(-c3oc4ccc(S(=O)(=O)[N-]c5cccc(C)c5)cc4c3C)n2)c1OC ZINC000064775238 554515714 /nfs/dbraw/zinc/51/57/14/554515714.db2.gz PAUDGXQIHPUXJR-UHFFFAOYSA-N -1 1 505.552 5.585 50 0 KKAAMM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000101201529 554672738 /nfs/dbraw/zinc/67/27/38/554672738.db2.gz FXNTZKVFCSKVPN-JVPIYLDOSA-N -1 1 508.593 5.804 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101289758 554707163 /nfs/dbraw/zinc/70/71/63/554707163.db2.gz PRYQXODTZYFFOR-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccccc1[C@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000101289661 554707182 /nfs/dbraw/zinc/70/71/82/554707182.db2.gz SBKLYPZNLNQWBO-ISKFKSNPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000101289649 554707199 /nfs/dbraw/zinc/70/71/99/554707199.db2.gz SBKLYPZNLNQWBO-UPVQGACJSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000101289964 554707510 /nfs/dbraw/zinc/70/75/10/554707510.db2.gz BFLVVILVZAIFCP-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)nc1[O-])Nc1cccc(Cl)c1 ZINC000101289923 554707545 /nfs/dbraw/zinc/70/75/45/554707545.db2.gz GEKURBNZFBEVIG-XZOQPEGZSA-N -1 1 523.445 6.171 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290212 554707709 /nfs/dbraw/zinc/70/77/09/554707709.db2.gz IWVXXYRKBVWSRK-SVBPBHIXSA-N -1 1 542.661 5.580 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101290943 554708194 /nfs/dbraw/zinc/70/81/94/554708194.db2.gz MFDPVEJGEFMURZ-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3ccccc3C(F)(F)F)[n-]2)cc1 ZINC000101291158 554708673 /nfs/dbraw/zinc/70/86/73/554708673.db2.gz QHGANTADZPQYGQ-UHFFFAOYSA-N -1 1 531.581 5.968 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101294223 554710863 /nfs/dbraw/zinc/71/08/63/554710863.db2.gz WSVPDDWHYMXBEP-RPWUZVMVSA-N -1 1 555.006 5.805 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101294257 554710925 /nfs/dbraw/zinc/71/09/25/554710925.db2.gz PHDUETBORYNFOJ-UIOOFZCWSA-N -1 1 563.079 5.925 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101390141 554754124 /nfs/dbraw/zinc/75/41/24/554754124.db2.gz OTSICEDAJMDGMI-VKGTZQKMSA-N -1 1 530.602 5.950 50 0 KKAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000101616420 554806094 /nfs/dbraw/zinc/80/60/94/554806094.db2.gz ASHJTGSOAXDENJ-UHFFFAOYSA-N -1 1 625.512 7.792 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1cccc(Cl)c1 ZINC000101616367 554806164 /nfs/dbraw/zinc/80/61/64/554806164.db2.gz BUTCVZCYDQQPQJ-UHFFFAOYSA-N -1 1 621.093 7.147 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCCc3ccc(Cl)cc3)c(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)CC1 ZINC000101667184 554822843 /nfs/dbraw/zinc/82/28/43/554822843.db2.gz HMCIKDRSWCOYII-UHFFFAOYSA-N -1 1 615.152 5.108 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000101860516 554844259 /nfs/dbraw/zinc/84/42/59/554844259.db2.gz JPZWIHPSNXLDRV-UHFFFAOYSA-N -1 1 557.638 6.512 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101969266 554854606 /nfs/dbraw/zinc/85/46/06/554854606.db2.gz KSXFNVUGUHMKDZ-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969247 554854646 /nfs/dbraw/zinc/85/46/46/554854646.db2.gz XLGYOYIMKQPLNJ-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101969278 554854844 /nfs/dbraw/zinc/85/48/44/554854844.db2.gz GIXXUUBSDCOMCP-AHWVRZQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969393 554854992 /nfs/dbraw/zinc/85/49/92/554854992.db2.gz XXYYDKNUKHNYCJ-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969420 554855119 /nfs/dbraw/zinc/85/51/19/554855119.db2.gz HDVWWAGAIOXZIR-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969554 554855351 /nfs/dbraw/zinc/85/53/51/554855351.db2.gz KOUZXTFINNESJE-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969546 554855358 /nfs/dbraw/zinc/85/53/58/554855358.db2.gz RSSHAMFVPJXSIX-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969622 554855376 /nfs/dbraw/zinc/85/53/76/554855376.db2.gz DYZFYUWULPZQHX-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101969770 554855563 /nfs/dbraw/zinc/85/55/63/554855563.db2.gz ZBWBWUSFEDEYRN-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccccc3F)C2)cc1 ZINC000101969713 554855609 /nfs/dbraw/zinc/85/56/09/554855609.db2.gz UREJJXNRGWLPDH-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969688 554855667 /nfs/dbraw/zinc/85/56/67/554855667.db2.gz LRHVMSMWDIBOJA-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101969766 554855673 /nfs/dbraw/zinc/85/56/73/554855673.db2.gz ZBWBWUSFEDEYRN-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101969659 554855688 /nfs/dbraw/zinc/85/56/88/554855688.db2.gz KQVXJPIFWLDAKN-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969741 554855694 /nfs/dbraw/zinc/85/56/94/554855694.db2.gz MEXXTCVXAHWIGC-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969854 554855861 /nfs/dbraw/zinc/85/58/61/554855861.db2.gz XRUYBOCNLRRRKL-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969833 554855953 /nfs/dbraw/zinc/85/59/53/554855953.db2.gz GOVAXKZUMCGZLP-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969964 554856140 /nfs/dbraw/zinc/85/61/40/554856140.db2.gz QBGLZXXJHZKNJE-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969984 554856154 /nfs/dbraw/zinc/85/61/54/554856154.db2.gz SAEQXDNGNCNBBQ-KAYWLYCHSA-N -1 1 542.661 5.499 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1Cl ZINC000101970353 554856979 /nfs/dbraw/zinc/85/69/79/554856979.db2.gz REYGPDAXXHNKNK-BJKOFHAPSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101970527 554857204 /nfs/dbraw/zinc/85/72/04/554857204.db2.gz ZTSOOVRLQIWOJI-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970441 554857233 /nfs/dbraw/zinc/85/72/33/554857233.db2.gz XMRFMBMHUIXGCS-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101970703 554857496 /nfs/dbraw/zinc/85/74/96/554857496.db2.gz DETMRDDZLJAFTE-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(C)cc2)nc1[O-] ZINC000101970644 554857527 /nfs/dbraw/zinc/85/75/27/554857527.db2.gz NNJSOKDIPMQVES-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3OC)s2)cc1 ZINC000101970820 554857893 /nfs/dbraw/zinc/85/78/93/554857893.db2.gz YGXHXMDXLNXAFO-ZCYQVOJMSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101970815 554857906 /nfs/dbraw/zinc/85/79/06/554857906.db2.gz WEHUZGZTLFZWDJ-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000101970805 554858027 /nfs/dbraw/zinc/85/80/27/554858027.db2.gz YXGHMHRVTDYHRF-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101971289 554858905 /nfs/dbraw/zinc/85/89/05/554858905.db2.gz UHIDQCPXWCPHQP-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971255 554859017 /nfs/dbraw/zinc/85/90/17/554859017.db2.gz JDONOMXDAMBQBX-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101971299 554859162 /nfs/dbraw/zinc/85/91/62/554859162.db2.gz UHIDQCPXWCPHQP-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971305 554859193 /nfs/dbraw/zinc/85/91/93/554859193.db2.gz AULHRZZRUBSYPH-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101971535 554859529 /nfs/dbraw/zinc/85/95/29/554859529.db2.gz DFPVCQGIBMIMJT-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101971634 554859613 /nfs/dbraw/zinc/85/96/13/554859613.db2.gz GIJNQDOGXXAOBN-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971567 554859625 /nfs/dbraw/zinc/85/96/25/554859625.db2.gz BHMNMOJCOFOZRE-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972303 554860062 /nfs/dbraw/zinc/86/00/62/554860062.db2.gz XDPSRVAQCZFMPU-IZZNHLLZSA-N -1 1 546.624 5.329 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101972235 554860068 /nfs/dbraw/zinc/86/00/68/554860068.db2.gz LORQVQLZWUFAEN-UIOOFZCWSA-N -1 1 528.634 5.272 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101972355 554860400 /nfs/dbraw/zinc/86/04/00/554860400.db2.gz DUWUBMMXWPYYMY-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972332 554860460 /nfs/dbraw/zinc/86/04/60/554860460.db2.gz CHOQWVILCDAQMJ-SXOMAYOGSA-N -1 1 542.661 5.499 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101972728 554861011 /nfs/dbraw/zinc/86/10/11/554861011.db2.gz VUPNUZRKOARYND-KAYWLYCHSA-N -1 1 542.661 5.580 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972704 554861067 /nfs/dbraw/zinc/86/10/67/554861067.db2.gz FWODGPONXMSNCE-RPBOFIJWSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000101973117 554861632 /nfs/dbraw/zinc/86/16/32/554861632.db2.gz UDEGBRZOSDWXSA-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000101972944 554861688 /nfs/dbraw/zinc/86/16/88/554861688.db2.gz KLFIORCHWRKOSF-ZEQRLZLVSA-N -1 1 522.552 5.590 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(C)c3)nc2[O-])c1 ZINC000101973272 554862074 /nfs/dbraw/zinc/86/20/74/554862074.db2.gz IMUZEJHIUHOSQC-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(OC)c3)nc2[O-])c1 ZINC000101973182 554862082 /nfs/dbraw/zinc/86/20/82/554862082.db2.gz AYFQFXIAUFCWPR-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101973336 554862268 /nfs/dbraw/zinc/86/22/68/554862268.db2.gz ZPWNBXUPACDXMT-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000101973328 554862358 /nfs/dbraw/zinc/86/23/58/554862358.db2.gz YXMOOYHEBCYXTQ-CLJLJLNGSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101973572 554862604 /nfs/dbraw/zinc/86/26/04/554862604.db2.gz VCYODCHUTWZXRL-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101973581 554862621 /nfs/dbraw/zinc/86/26/21/554862621.db2.gz ASTDXYDNUJTRTG-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000102739488 555028175 /nfs/dbraw/zinc/02/81/75/555028175.db2.gz YCFGIEJBOWXYAF-MPFGFTFXSA-N -1 1 514.622 5.878 50 0 KKAAMM CCOc1ccc(CCNC(=O)c2ccc(N3CCCCC3)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1OCC ZINC000102767201 555055511 /nfs/dbraw/zinc/05/55/11/555055511.db2.gz JHFOQLVTKAGUQC-UHFFFAOYSA-N -1 1 565.736 5.556 50 0 KKAAMM O=C(NC1CCCCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000102770143 555057637 /nfs/dbraw/zinc/05/76/37/555057637.db2.gz AHECTAQKYAOSGU-VWNXMTODSA-N -1 1 609.192 5.769 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810434 555074421 /nfs/dbraw/zinc/07/44/21/555074421.db2.gz AFAOYCFSQAVDSQ-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc(OC)c1 ZINC000102810985 555074724 /nfs/dbraw/zinc/07/47/24/555074724.db2.gz ZRLNGDSPGUQMEA-FTJBHMTQSA-N -1 1 563.079 5.844 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810532 555074821 /nfs/dbraw/zinc/07/48/21/555074821.db2.gz CFPPSDJENQZNDT-RPWUZVMVSA-N -1 1 537.472 6.480 50 0 KKAAMM CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)[n-]c1Sc1ccccc1C(=O)NCc1ccccc1 ZINC000102823180 555077208 /nfs/dbraw/zinc/07/72/08/555077208.db2.gz VLRFMORVGYOWRI-UHFFFAOYSA-N -1 1 563.473 6.266 50 0 KKAAMM C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102923230 555147813 /nfs/dbraw/zinc/14/78/13/555147813.db2.gz YWPHAVPXEWMIPC-QLFBSQMISA-N -1 1 531.433 5.268 50 0 KKAAMM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc3[O-])cc12 ZINC000102933944 555161267 /nfs/dbraw/zinc/16/12/67/555161267.db2.gz FSYYPUGEEZEUTM-UHFFFAOYSA-N -1 1 557.028 5.947 50 0 KKAAMM CCOc1ccc2nc(NC(=O)c3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)sc2c1 ZINC000102933949 555161332 /nfs/dbraw/zinc/16/13/32/555161332.db2.gz OJIHQPWNPBWFEV-UHFFFAOYSA-N -1 1 522.435 6.055 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000102959499 555174978 /nfs/dbraw/zinc/17/49/78/555174978.db2.gz ZFNVAUXZDDWIEG-FQEVSTJZSA-N -1 1 596.130 5.841 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc1)CCCC2 ZINC000102975257 555184994 /nfs/dbraw/zinc/18/49/94/555184994.db2.gz PNRHFDPREFFODI-INIZCTEOSA-N -1 1 624.659 5.807 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000102976219 555186323 /nfs/dbraw/zinc/18/63/23/555186323.db2.gz GEZYYXWQENKRDK-UHFFFAOYSA-N -1 1 629.138 6.454 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1NC(=O)c1cc(F)c(F)cc1Cl ZINC000102994384 555194527 /nfs/dbraw/zinc/19/45/27/555194527.db2.gz NZUPRYGIVIFICU-UHFFFAOYSA-N -1 1 531.762 5.442 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000103001862 555201663 /nfs/dbraw/zinc/20/16/63/555201663.db2.gz QXFPMBBVIIIJNC-UHFFFAOYSA-N -1 1 537.435 6.081 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 ZINC000103113022 555286138 /nfs/dbraw/zinc/28/61/38/555286138.db2.gz JMVBHXLRNJFEQS-UHFFFAOYSA-N -1 1 528.630 5.182 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c1)C[C@H](C)CC2 ZINC000103114597 555287283 /nfs/dbraw/zinc/28/72/83/555287283.db2.gz YEOJXQJKCRLAOR-QZTJIDSGSA-N -1 1 600.715 5.043 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000103183361 555329948 /nfs/dbraw/zinc/32/99/48/555329948.db2.gz CQPQVRVAZKADSC-UHFFFAOYSA-N -1 1 533.572 5.835 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3)C(=O)N(c3ccccc3)C2=O)cc1 ZINC000103396594 555382143 /nfs/dbraw/zinc/38/21/43/555382143.db2.gz WEIPVULSMXFKSR-UHFFFAOYSA-N -1 1 571.680 5.794 50 0 KKAAMM Cc1cccc(Cn2c(C(=O)Nc3ccccc3)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000103428053 555409924 /nfs/dbraw/zinc/40/99/24/555409924.db2.gz VYHNONHIOYIWMR-UHFFFAOYSA-N -1 1 563.601 7.070 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)Nc3ccccc3)cc3cc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)c1 ZINC000103428286 555410745 /nfs/dbraw/zinc/41/07/45/555410745.db2.gz DHTKXACSZPSZEN-UHFFFAOYSA-N -1 1 577.628 7.378 50 0 KKAAMM O=C(Nc1ccc2oc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3[O-])nc2c1)c1ccc(Cl)cc1Cl ZINC000105504524 571406724 /nfs/dbraw/zinc/40/67/24/571406724.db2.gz CNCSUBIORUTXFJ-UHFFFAOYSA-N -1 1 587.246 8.319 50 0 KKAAMM CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000105796008 571408757 /nfs/dbraw/zinc/40/87/57/571408757.db2.gz UTCYUDYBHIVTMJ-ZWEKWIFMSA-N -1 1 577.519 6.801 50 0 KKAAMM CCCCCOC1=CC[C@H](C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)C=C1 ZINC000135740121 571448906 /nfs/dbraw/zinc/44/89/06/571448906.db2.gz TWDZBNIGWDYNEY-XMMPIXPASA-N -1 1 524.665 6.885 50 0 KKAAMM CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C(C)=O)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137663557 571450412 /nfs/dbraw/zinc/45/04/12/571450412.db2.gz RAYJLBGXBQZTPU-UPRLRBBYSA-N -1 1 514.578 5.128 50 0 KKAAMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000150393412 571475026 /nfs/dbraw/zinc/47/50/26/571475026.db2.gz XLINZQRPPKNTSI-UHFFFAOYSA-N -1 1 679.014 6.136 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)C1=O ZINC000150404086 571478966 /nfs/dbraw/zinc/47/89/66/571478966.db2.gz BJWLUSZSATZDID-UHFFFAOYSA-N -1 1 651.685 5.345 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3nc(-c4ccccc4)n(-c4cccc(C(F)(F)F)c4)n3)ccc2N2CCCCC2)cc1 ZINC000150407841 571480453 /nfs/dbraw/zinc/48/04/53/571480453.db2.gz LYOBDXIWFJIIFC-UHFFFAOYSA-N -1 1 676.721 7.005 50 0 KKAAMM CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)c1 ZINC000150409878 571482281 /nfs/dbraw/zinc/48/22/81/571482281.db2.gz JPLLKPFYIZXRQJ-UHFFFAOYSA-N -1 1 675.616 5.708 50 0 KKAAMM COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000150410048 571482344 /nfs/dbraw/zinc/48/23/44/571482344.db2.gz HLZQQCQMMBGQKN-UHFFFAOYSA-N -1 1 683.252 6.213 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3C)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000150434952 571495071 /nfs/dbraw/zinc/49/50/71/571495071.db2.gz XZQOBGRHIAPKNE-UHFFFAOYSA-N -1 1 714.653 5.978 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)c1 ZINC000150448351 571501492 /nfs/dbraw/zinc/50/14/92/571501492.db2.gz QLXUKCKTRUQMMG-UHFFFAOYSA-N -1 1 650.779 5.003 50 0 KKAAMM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)[N-]c4ccc(OCC)c(Br)c4)c3)cc2)cc1 ZINC000150450967 571502701 /nfs/dbraw/zinc/50/27/01/571502701.db2.gz QTWSJNWATBKOBN-UHFFFAOYSA-N -1 1 638.540 6.552 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)ccc2N2CCOCC2)cc1 ZINC000150451534 571502953 /nfs/dbraw/zinc/50/29/53/571502953.db2.gz NKDLVSQXVBSZJU-UHFFFAOYSA-N -1 1 638.171 5.947 50 0 KKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000150453237 571503429 /nfs/dbraw/zinc/50/34/29/571503429.db2.gz QTWNJRROMDFYMR-UHFFFAOYSA-N -1 1 656.783 8.182 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn(CN4CCN(c5cccc(C)c5C)CC4)c(=S)n3Cc3ccccc3)c2)cc1 ZINC000150454525 571503978 /nfs/dbraw/zinc/50/39/78/571503978.db2.gz HQKUHCBDDMAUNI-UHFFFAOYSA-N -1 1 654.862 6.335 50 0 KKAAMM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2o1 ZINC000150481587 571512733 /nfs/dbraw/zinc/51/27/33/571512733.db2.gz XDCUZGCDLUYDLD-UHFFFAOYSA-N -1 1 647.175 5.647 50 0 KKAAMM O=C(CSc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)n1-c1cccc(C(F)(F)F)c1)Nc1ccc2ccccc2c1 ZINC000150495090 571517805 /nfs/dbraw/zinc/51/78/05/571517805.db2.gz IGOSYXYQGMALDV-UHFFFAOYSA-N -1 1 694.160 8.291 50 0 KKAAMM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1 ZINC000150512691 571519953 /nfs/dbraw/zinc/51/99/53/571519953.db2.gz YVMKPNCHPACSGL-DEOSSOPVSA-N -1 1 684.792 7.156 50 0 KKAAMM COC(=O)CN[C@@H](c1cccc(Cl)c1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000170612423 571561704 /nfs/dbraw/zinc/56/17/04/571561704.db2.gz YBDXUALXKKBIKL-QHCPKHFHSA-N -1 1 537.863 5.064 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cc5cccc(C)c5[nH]c3=O)CC(=O)O4)c2=O)cc1OC ZINC000263585445 572118782 /nfs/dbraw/zinc/11/87/82/572118782.db2.gz IRDDGQRTXGSVFE-KRWDZBQOSA-N -1 1 525.513 5.186 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000263585445 572118783 /nfs/dbraw/zinc/11/87/83/572118783.db2.gz 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O=C(CSc1nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2o1)Nc1ccc(Cl)c(Cl)c1 ZINC000003314608 552353224 /nfs/dbraw/zinc/35/32/24/552353224.db2.gz JSRBFYAZJNILLN-UHFFFAOYSA-N -1 1 542.853 6.320 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000003368641 552374622 /nfs/dbraw/zinc/37/46/22/552374622.db2.gz ZXKZMPVGZPLXTB-UHFFFAOYSA-N -1 1 505.979 6.884 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCCCCOc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003991724 552424874 /nfs/dbraw/zinc/42/48/74/552424874.db2.gz DNGOPMISAIFSOT-UHFFFAOYSA-N -1 1 580.728 6.143 50 0 KKAAMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2)cc1Br ZINC000005940600 552513803 /nfs/dbraw/zinc/51/38/03/552513803.db2.gz ZBYNDRMVVHKVLW-ONNFQVAWSA-N -1 1 579.856 5.683 50 0 KKAAMM Cc1cc(=O)[n-]c(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000006016879 552519499 /nfs/dbraw/zinc/51/94/99/552519499.db2.gz BPZWTPDANRYLQL-UHFFFAOYSA-N -1 1 527.469 5.290 50 0 KKAAMM C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 ZINC000006144215 552545780 /nfs/dbraw/zinc/54/57/80/552545780.db2.gz DXYAKFHZKYZIOF-KBPBESRZSA-N -1 1 592.526 6.135 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)ccc2C)cc1 ZINC000006153465 552552193 /nfs/dbraw/zinc/55/21/93/552552193.db2.gz JSTSNSQLLACWOS-NVXWUHKLSA-N -1 1 567.689 5.145 50 0 KKAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(c4ccccc24)O[C@]2(C3)N(C)c3ccccc3C2(C)C)cc1 ZINC000006229103 552571530 /nfs/dbraw/zinc/57/15/30/552571530.db2.gz VBHRIZIGIBFTIK-PMERELPUSA-N -1 1 514.647 6.098 50 0 KKAAMM CCc1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N-]S(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 ZINC000006235168 552572048 /nfs/dbraw/zinc/57/20/48/552572048.db2.gz HGUGIPXRBIQZIC-SZPZYZBQSA-N -1 1 533.738 6.710 50 0 KKAAMM COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000008384690 552989840 /nfs/dbraw/zinc/98/98/40/552989840.db2.gz IKPOSKLDPJHNNJ-UHFFFAOYSA-N -1 1 694.615 5.962 50 0 KKAAMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000008384946 552990300 /nfs/dbraw/zinc/99/03/00/552990300.db2.gz HXXMPHSEIBZMMN-UHFFFAOYSA-N -1 1 614.702 7.193 50 0 KKAAMM CCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000008397780 552997415 /nfs/dbraw/zinc/99/74/15/552997415.db2.gz MTLLSPPNVQNKLA-UHFFFAOYSA-N -1 1 508.622 6.445 50 0 KKAAMM O=S(=O)([N-]c1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000008432743 553027130 /nfs/dbraw/zinc/02/71/30/553027130.db2.gz LECLODWZNCMTBK-UHFFFAOYSA-N -1 1 618.347 7.694 50 0 KKAAMM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C ZINC000008576262 553078363 /nfs/dbraw/zinc/07/83/63/553078363.db2.gz RGMNNMUETMZPOJ-UHFFFAOYSA-N -1 1 582.704 5.379 50 0 KKAAMM O=c1cc(CSc2ccc(Cl)cc2)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2Cl)[n-]1 ZINC000008712009 553126187 /nfs/dbraw/zinc/12/61/87/553126187.db2.gz QVRUPZDVTJYCPW-UHFFFAOYSA-N -1 1 572.926 8.094 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000009409759 553257191 /nfs/dbraw/zinc/25/71/91/553257191.db2.gz BVWPXCQXCPMTOF-UHFFFAOYSA-N -1 1 515.463 5.853 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000009410189 553257387 /nfs/dbraw/zinc/25/73/87/553257387.db2.gz VTQICUKWPSYLIR-UHFFFAOYSA-N -1 1 500.448 6.270 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000009432155 553261420 /nfs/dbraw/zinc/26/14/20/553261420.db2.gz FSGMRYCZFQJSBK-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000009432181 553261671 /nfs/dbraw/zinc/26/16/71/553261671.db2.gz NDDVSRLUCJHLGS-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000009432205 553261683 /nfs/dbraw/zinc/26/16/83/553261683.db2.gz RJGJOHBJMDGYOD-BJKOFHAPSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000009432209 553261697 /nfs/dbraw/zinc/26/16/97/553261697.db2.gz VGCWLYRJLYVDIN-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1F ZINC000009432231 553261896 /nfs/dbraw/zinc/26/18/96/553261896.db2.gz NIGNENWNVWHACY-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000009432252 553262119 /nfs/dbraw/zinc/26/21/19/553262119.db2.gz DSOHYDFDZFFFGQ-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000009432283 553262441 /nfs/dbraw/zinc/26/24/41/553262441.db2.gz YSSRFQWHBWHQNR-LOSJGSFVSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000009432303 553262521 /nfs/dbraw/zinc/26/25/21/553262521.db2.gz GQKRCCDFGBUSHB-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4cccs4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679608 553296423 /nfs/dbraw/zinc/29/64/23/553296423.db2.gz BAGKKUJVVLSRHI-JOCHJYFZSA-N -1 1 508.397 5.827 50 0 KKAAMM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4cccs4)c3[C@H]2c2cccc(Br)c2)cc1 ZINC000009679608 553296425 /nfs/dbraw/zinc/29/64/25/553296425.db2.gz BAGKKUJVVLSRHI-JOCHJYFZSA-N -1 1 508.397 5.827 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3[O-])ncnc2C(F)(F)F)cc1OC ZINC000011866383 553346757 /nfs/dbraw/zinc/34/67/57/553346757.db2.gz UHQQNUUISHEGNB-UHFFFAOYSA-N -1 1 516.903 6.785 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc1)CCCC2 ZINC000012600176 553401261 /nfs/dbraw/zinc/40/12/61/553401261.db2.gz ZEXDJBKTYMVQNT-UHFFFAOYSA-N -1 1 520.579 5.135 50 0 KKAAMM CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000012631526 553405648 /nfs/dbraw/zinc/40/56/48/553405648.db2.gz YIHBDERRFSXVMD-UHFFFAOYSA-N -1 1 517.076 5.500 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=S)Nc3ccc(C(C)=O)cc3)ccc2N2CCCC2)cc1 ZINC000013131542 553451428 /nfs/dbraw/zinc/45/14/28/553451428.db2.gz AWEXVINOKKUHNL-UHFFFAOYSA-N -1 1 524.668 5.108 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020134819 553592813 /nfs/dbraw/zinc/59/28/13/553592813.db2.gz FLCLEAFVYWEHHM-SVBPBHIXSA-N -1 1 526.662 5.880 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020135128 553593180 /nfs/dbraw/zinc/59/31/80/553593180.db2.gz DHSXOTHNKPFALJ-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000020134989 553593248 /nfs/dbraw/zinc/59/32/48/553593248.db2.gz SHJASDJNRCZYIE-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490506 553660451 /nfs/dbraw/zinc/66/04/51/553660451.db2.gz DIARCSKNTKSRMF-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490574 553660715 /nfs/dbraw/zinc/66/07/15/553660715.db2.gz AMQARNOOQLZPGV-RPWUZVMVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490550 553660787 /nfs/dbraw/zinc/66/07/87/553660787.db2.gz VOKGPVXZAKAKLS-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490620 553661278 /nfs/dbraw/zinc/66/12/78/553661278.db2.gz WRPSQSXOMZCPMS-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490662 553661526 /nfs/dbraw/zinc/66/15/26/553661526.db2.gz QLGBZFPCVVDHDX-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000020490718 553661536 /nfs/dbraw/zinc/66/15/36/553661536.db2.gz ZYNFNFCPACVEDF-ISKFKSNPSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490704 553661619 /nfs/dbraw/zinc/66/16/19/553661619.db2.gz BTEUHYGAXQQNFL-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccc(Cl)c2)nc1[O-])Nc1ccccc1 ZINC000020490753 553662041 /nfs/dbraw/zinc/66/20/41/553662041.db2.gz JAFWQXFPRRPQSM-GOTSBHOMSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000020490801 553662395 /nfs/dbraw/zinc/66/23/95/553662395.db2.gz SZJYVLDUBHCXLT-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020490815 553662426 /nfs/dbraw/zinc/66/24/26/553662426.db2.gz SEPSGLHSFPZEHY-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020490885 553662974 /nfs/dbraw/zinc/66/29/74/553662974.db2.gz PMGOROWVTCHDKS-RPBOFIJWSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490938 553663186 /nfs/dbraw/zinc/66/31/86/553663186.db2.gz DHDYUENTGHLPTM-BJKOFHAPSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490946 553663382 /nfs/dbraw/zinc/66/33/82/553663382.db2.gz BQZYKZSAQAERAD-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490948 553663399 /nfs/dbraw/zinc/66/33/99/553663399.db2.gz BQZYKZSAQAERAD-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020490996 553663586 /nfs/dbraw/zinc/66/35/86/553663586.db2.gz RRHXIYFNPQWTTG-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000020491004 553663655 /nfs/dbraw/zinc/66/36/55/553663655.db2.gz CPCVBPZVICWZLZ-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020491012 553663707 /nfs/dbraw/zinc/66/37/07/553663707.db2.gz YBFNYKWBWBMTPN-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000020491027 553664059 /nfs/dbraw/zinc/66/40/59/553664059.db2.gz OMRYGNUCDAPTRY-UIOOFZCWSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020491039 553664069 /nfs/dbraw/zinc/66/40/69/553664069.db2.gz JHRMQBKGLBLMCH-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3Cl)s2)cc1 ZINC000020491183 553664388 /nfs/dbraw/zinc/66/43/88/553664388.db2.gz FXLPAJXCOHUXBN-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491171 553664452 /nfs/dbraw/zinc/66/44/52/553664452.db2.gz VPFYQGZVLJLHBK-IZZNHLLZSA-N -1 1 512.635 5.572 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491228 553664680 /nfs/dbraw/zinc/66/46/80/553664680.db2.gz JIZFZYKRQPOILX-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491232 553664903 /nfs/dbraw/zinc/66/49/03/553664903.db2.gz INLNTDZCGZSFMV-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020491396 553665082 /nfs/dbraw/zinc/66/50/82/553665082.db2.gz NDCYAVFIWPMLDO-IZZNHLLZSA-N -1 1 512.635 5.572 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5ccc(C)cc5)cc4c3c2)cc1 ZINC000020032855 553666633 /nfs/dbraw/zinc/66/66/33/553666633.db2.gz XVAVQNPWJUMQLG-UHFFFAOYSA-N -1 1 506.605 5.804 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903561 553701548 /nfs/dbraw/zinc/70/15/48/553701548.db2.gz BSSDRFNMFZSUTC-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020903604 553701613 /nfs/dbraw/zinc/70/16/13/553701613.db2.gz ILKNOVDXFYCUSC-BJKOFHAPSA-N -1 1 502.571 5.012 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903672 553701891 /nfs/dbraw/zinc/70/18/91/553701891.db2.gz UUDFFBRMYLXAHP-JWQCQUIFSA-N -1 1 516.598 5.402 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1C ZINC000020903637 553701934 /nfs/dbraw/zinc/70/19/34/553701934.db2.gz YPYGLDUMZZFPMD-LOSJGSFVSA-N -1 1 500.599 5.620 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000020903696 553701960 /nfs/dbraw/zinc/70/19/60/553701960.db2.gz KSTJXKIXKSLFIP-CLJLJLNGSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000020903698 553702298 /nfs/dbraw/zinc/70/22/98/553702298.db2.gz KSTJXKIXKSLFIP-UIOOFZCWSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000020903712 553702338 /nfs/dbraw/zinc/70/23/38/553702338.db2.gz DZBZNCAPDSJWOW-CLJLJLNGSA-N -1 1 512.635 5.436 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903776 553702609 /nfs/dbraw/zinc/70/26/09/553702609.db2.gz SHEDTCSKSZTLTC-LOSJGSFVSA-N -1 1 500.599 5.566 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000020903811 553702666 /nfs/dbraw/zinc/70/26/66/553702666.db2.gz SGEPEDFJPZLHSC-RPBOFIJWSA-N -1 1 500.599 5.620 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4cccs4)C[C@@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000020903931 553702867 /nfs/dbraw/zinc/70/28/67/553702867.db2.gz AHJCWDQZPSDSKE-IRLDBZIGSA-N -1 1 509.056 5.888 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903952 553702877 /nfs/dbraw/zinc/70/28/77/553702877.db2.gz ZQOUHGJPEHYKGQ-ZEQRLZLVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1 ZINC000020903950 553702906 /nfs/dbraw/zinc/70/29/06/553702906.db2.gz ZQOUHGJPEHYKGQ-DNQXCXABSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000020903998 553703179 /nfs/dbraw/zinc/70/31/79/553703179.db2.gz BYOWRYZAYRGSKB-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM CCc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904044 553703241 /nfs/dbraw/zinc/70/32/41/553703241.db2.gz XLLBTVBWQGMWMW-JWQCQUIFSA-N -1 1 517.054 6.080 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1C ZINC000020903984 553703378 /nfs/dbraw/zinc/70/33/78/553703378.db2.gz BIWPETDRZUVURN-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccccc3)C2)c1 ZINC000020904082 553703654 /nfs/dbraw/zinc/70/36/54/553703654.db2.gz NIDZTYRXNHLWLQ-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1C ZINC000020904052 553703674 /nfs/dbraw/zinc/70/36/74/553703674.db2.gz UCMAUUMULGYTCJ-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=S)N=P(N3CCCCCC3)(N3CCCCCC3)C(C)(C)C)c2)cc1 ZINC000096022648 553722121 /nfs/dbraw/zinc/72/21/21/553722121.db2.gz CVQVVGJJJPOGBT-UHFFFAOYSA-N -1 1 654.283 8.428 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(-c2ccc(Cl)cc2)c1CSc1ccccc1 ZINC000096558663 553755400 /nfs/dbraw/zinc/75/54/00/553755400.db2.gz IORQRNSZUKOZII-UHFFFAOYSA-N -1 1 516.844 7.221 50 0 KKAAMM COC(=O)c1c2c(sc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc1)C[C@@H](C)CC2 ZINC000097948045 553790777 /nfs/dbraw/zinc/79/07/77/553790777.db2.gz ZLXUHHWIVGMAKX-AWEZNQCLSA-N -1 1 550.127 5.923 50 0 KKAAMM COc1ccc(C([O-])=C2[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000097951524 553809643 /nfs/dbraw/zinc/80/96/43/553809643.db2.gz BDWOKAQBXOQMAD-LRXVAGHRSA-N -1 1 529.298 5.366 50 0 KKAAMM Cn1c2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049246 553837332 /nfs/dbraw/zinc/83/73/32/553837332.db2.gz UFVBBMRHZRVICE-UHFFFAOYSA-N -1 1 513.729 6.150 50 0 KKAAMM Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000029491986 553845193 /nfs/dbraw/zinc/84/51/93/553845193.db2.gz AMYWHNJQJYPTHZ-UHFFFAOYSA-N -1 1 700.626 5.669 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000097960029 553867666 /nfs/dbraw/zinc/86/76/66/553867666.db2.gz IURIGWVOQWVVPA-UHFFFAOYSA-N -1 1 565.729 7.019 50 0 KKAAMM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 ZINC000097960031 553868005 /nfs/dbraw/zinc/86/80/05/553868005.db2.gz UQKUVXHLHVDXDD-UHFFFAOYSA-N -1 1 531.284 6.366 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 ZINC000097965107 553902718 /nfs/dbraw/zinc/90/27/18/553902718.db2.gz GEMINHBMZQMDAU-INIIKKOQSA-N -1 1 594.183 7.701 50 0 KKAAMM CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)c2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000097965183 553903424 /nfs/dbraw/zinc/90/34/24/553903424.db2.gz QZBIGHDOKBRURE-RIZLRKHKSA-N -1 1 670.231 8.375 50 0 KKAAMM COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)[C@H]2c1ccccc1OC ZINC000097965187 553903457 /nfs/dbraw/zinc/90/34/57/553903457.db2.gz OBAGIZSCDAIYAK-HNERKKKTSA-N -1 1 642.177 7.595 50 0 KKAAMM COc1ccccc1/C=C1\CCC[C@H]2C1=NN(C(=O)c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)[C@H]2c1ccccc1OC ZINC000097965188 553903658 /nfs/dbraw/zinc/90/36/58/553903658.db2.gz OBAGIZSCDAIYAK-BQKUCBPPSA-N -1 1 642.177 7.595 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc4c(c3)OCO4)CCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2 ZINC000097971222 553961639 /nfs/dbraw/zinc/96/16/39/553961639.db2.gz FEIUURSBSRXRLE-WFLREWKKSA-N -1 1 670.143 7.035 50 0 KKAAMM Cc1ccc(NC(=S)Nc2ccc(N3CCCC3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000097981291 553992577 /nfs/dbraw/zinc/99/25/77/553992577.db2.gz LUOUPELBIADHIQ-UHFFFAOYSA-N -1 1 534.629 6.224 50 0 KKAAMM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OCC)c(Br)c3)c2)cc1 ZINC000097982368 554001599 /nfs/dbraw/zinc/00/15/99/554001599.db2.gz JKJQJOXBTXLYNY-UHFFFAOYSA-N -1 1 592.537 5.483 50 0 KKAAMM Cc1ccc(-c2cc(C(=O)OCc3nc(=O)c4c(C)c(C(=O)Nc5ccc(C)cc5C)sc4[n-]3)c3ccccc3n2)o1 ZINC000097982504 554003123 /nfs/dbraw/zinc/00/31/23/554003123.db2.gz RUCMNARWFZQPEO-UHFFFAOYSA-N -1 1 578.650 6.636 50 0 KKAAMM O=P1(Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000097983613 554010324 /nfs/dbraw/zinc/01/03/24/554010324.db2.gz QFRWPSPIASMQIJ-UHFFFAOYSA-N -1 1 582.540 8.224 50 0 KKAAMM O=C1[C@H]2[C@@H](C(=O)N1c1cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)C1c3ccccc3C2c2ccccc21 ZINC000097983906 554012774 /nfs/dbraw/zinc/01/27/74/554012774.db2.gz SOJAJBBXHRKXOW-SALAOISXSA-N -1 1 541.028 5.537 50 0 KKAAMM O=C(NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000097983985 554013468 /nfs/dbraw/zinc/01/34/68/554013468.db2.gz OGGRUATYKQFLFR-UHFFFAOYSA-N -1 1 581.783 5.731 50 0 KKAAMM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035843216 554081615 /nfs/dbraw/zinc/08/16/15/554081615.db2.gz MWMJSFKBKYSSKJ-ANOKCIKSSA-N -1 1 520.972 5.789 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000040484952 554287059 /nfs/dbraw/zinc/28/70/59/554287059.db2.gz SNILAEDHFMHLOL-LOSJGSFVSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000040484964 554287032 /nfs/dbraw/zinc/28/70/32/554287032.db2.gz XWGDYRGPZWFLEK-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM O=C(NCc1ccccc1Cl)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000059503728 554399868 /nfs/dbraw/zinc/39/98/68/554399868.db2.gz GODIRHAATGOJPR-OFNKIYASSA-N -1 1 623.562 5.510 50 0 KKAAMM O=C(NCCc1ccccc1Cl)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000059514172 554401223 /nfs/dbraw/zinc/40/12/23/554401223.db2.gz GVNQAWMAGDYBFJ-QPPBQGQZSA-N -1 1 621.134 5.038 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)cc1Br ZINC000059651318 554418287 /nfs/dbraw/zinc/41/82/87/554418287.db2.gz OFXSSAVBSZDNKK-UHFFFAOYSA-N -1 1 547.452 5.213 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc(CN2CCOCC2)cc1 ZINC000059727791 554426763 /nfs/dbraw/zinc/42/67/63/554426763.db2.gz MORDWFUUOYXFNE-UHFFFAOYSA-N -1 1 553.990 5.244 50 0 KKAAMM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(=C1[O-])C(C(=O)c1ccccc1)=NN2c1ccc(Br)cc1 ZINC000100893606 554513171 /nfs/dbraw/zinc/51/31/71/554513171.db2.gz YNWQZIVVYMLXNM-IRLDBZIGSA-N -1 1 522.786 5.028 50 0 KKAAMM Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101075928 554577444 /nfs/dbraw/zinc/57/74/44/554577444.db2.gz ZNEGYHPAXNBYEZ-VXNXHJTFSA-N -1 1 502.368 5.290 50 0 KKAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115706 554643210 /nfs/dbraw/zinc/64/32/10/554643210.db2.gz AXWGVJBZYGTVMO-NLDZOOGBSA-N -1 1 534.568 5.274 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101177411 554665298 /nfs/dbraw/zinc/66/52/98/554665298.db2.gz DMHNEUYLYCQTPN-OLUZHXLYSA-N -1 1 534.612 6.024 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5cccc(Br)c5)no4)c(C)c3c2)cc1 ZINC000101276075 554702962 /nfs/dbraw/zinc/70/29/62/554702962.db2.gz KREXBJHNOMXKBW-UHFFFAOYSA-N -1 1 540.395 6.030 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101290007 554707359 /nfs/dbraw/zinc/70/73/59/554707359.db2.gz FGMMZSYLQINCLQ-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101289986 554707555 /nfs/dbraw/zinc/70/75/55/554707555.db2.gz MTASDKGEWMLXGR-RPBOFIJWSA-N -1 1 551.043 5.974 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101290203 554707699 /nfs/dbraw/zinc/70/76/99/554707699.db2.gz CMUFZOYIKSPTBS-CLJLJLNGSA-N -1 1 547.080 6.225 50 0 KKAAMM COc1ccc(Cl)cc1NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000101291397 554708520 /nfs/dbraw/zinc/70/85/20/554708520.db2.gz DQHMBQZALIVIGH-UHFFFAOYSA-N -1 1 528.055 5.611 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000101291299 554708645 /nfs/dbraw/zinc/70/86/45/554708645.db2.gz HJVYMAHLXJMLBX-UHFFFAOYSA-N -1 1 531.581 5.968 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292509 554709191 /nfs/dbraw/zinc/70/91/91/554709191.db2.gz IXWXAZAVYZPXAB-DQEYMECFSA-N -1 1 551.043 5.974 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101292848 554709468 /nfs/dbraw/zinc/70/94/68/554709468.db2.gz FZGXEXVSKDRDTN-RPWUZVMVSA-N -1 1 555.006 5.805 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1OC ZINC000101293132 554709870 /nfs/dbraw/zinc/70/98/70/554709870.db2.gz IPXIODQXOAPILR-JYFHCDHNSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101294191 554710647 /nfs/dbraw/zinc/71/06/47/554710647.db2.gz IXAOOXUVRFAYGP-JWQCQUIFSA-N -1 1 567.498 6.488 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101294185 554710662 /nfs/dbraw/zinc/71/06/62/554710662.db2.gz IXAOOXUVRFAYGP-DQEYMECFSA-N -1 1 567.498 6.488 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000101294722 554711517 /nfs/dbraw/zinc/71/15/17/554711517.db2.gz LTPDFAAPIOOMGI-IZZNHLLZSA-N -1 1 544.702 5.903 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc(OC)c1 ZINC000101295423 554712006 /nfs/dbraw/zinc/71/20/06/554712006.db2.gz BGIWRPRSZRIGDV-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])cc1Cl ZINC000101295466 554712326 /nfs/dbraw/zinc/71/23/26/554712326.db2.gz YGZSWJJNARQUML-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000101424483 554768055 /nfs/dbraw/zinc/76/80/55/554768055.db2.gz SVYSWMFJFFEQIO-JWRCQZCYSA-N -1 1 546.576 5.720 50 0 KKAAMM Cc1noc(-c2ccc(Cl)cc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000101425684 554768451 /nfs/dbraw/zinc/76/84/51/554768451.db2.gz JHSSKYVVAIIOMY-UHFFFAOYSA-N -1 1 535.781 7.295 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101427235 554768921 /nfs/dbraw/zinc/76/89/21/554768921.db2.gz BKMCWUOLOMYKAQ-DFXYEROKSA-N -1 1 542.563 6.027 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1ccc(C)cc1 ZINC000101461034 554778478 /nfs/dbraw/zinc/77/84/78/554778478.db2.gz PSMGSWCJZMXIOW-UHFFFAOYSA-N -1 1 586.692 7.162 50 0 KKAAMM CC(C)CN1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)C1=O ZINC000101840763 554842820 /nfs/dbraw/zinc/84/28/20/554842820.db2.gz RMXMCNZXNXYEPK-UHFFFAOYSA-N -1 1 604.523 5.830 50 0 KKAAMM CC(C)N1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C1=O ZINC000101883303 554846224 /nfs/dbraw/zinc/84/62/24/554846224.db2.gz NAGIGWZVEZNRPB-UHFFFAOYSA-N -1 1 606.951 6.096 50 0 KKAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCN(c4ccccc4OC)CC3)no2)cc1 ZINC000101917387 554850680 /nfs/dbraw/zinc/85/06/80/554850680.db2.gz SJKPCZWEGFKBLY-UHFFFAOYSA-N -1 1 552.587 5.320 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4OC)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969438 554855001 /nfs/dbraw/zinc/85/50/01/554855001.db2.gz PDHYTTLTUYPLOP-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101969520 554855339 /nfs/dbraw/zinc/85/53/39/554855339.db2.gz DYJCJNKNADSXFE-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969574 554855342 /nfs/dbraw/zinc/85/53/42/554855342.db2.gz ZNCUKPAKIUWSAC-DQEYMECFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccccc3F)nc2[O-])cc1 ZINC000101969656 554855371 /nfs/dbraw/zinc/85/53/71/554855371.db2.gz KQVXJPIFWLDAKN-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969783 554855670 /nfs/dbraw/zinc/85/56/70/554855670.db2.gz UFFRIQSKMCZCFW-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(OC)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101969774 554855682 /nfs/dbraw/zinc/85/56/82/554855682.db2.gz ZBWBWUSFEDEYRN-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969750 554855697 /nfs/dbraw/zinc/85/56/97/554855697.db2.gz MEXXTCVXAHWIGC-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969846 554855837 /nfs/dbraw/zinc/85/58/37/554855837.db2.gz XRUYBOCNLRRRKL-ZEQRLZLVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969820 554855846 /nfs/dbraw/zinc/85/58/46/554855846.db2.gz GPQQKHLBLRXODM-JWQCQUIFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101969891 554855854 /nfs/dbraw/zinc/85/58/54/554855854.db2.gz ZHAKMGNDXCJQMS-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000101969987 554856242 /nfs/dbraw/zinc/85/62/42/554856242.db2.gz SAEQXDNGNCNBBQ-SXOMAYOGSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101970156 554856454 /nfs/dbraw/zinc/85/64/54/554856454.db2.gz SCHWHVQLZZVHIK-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101970059 554856476 /nfs/dbraw/zinc/85/64/76/554856476.db2.gz UXXVIPYFAAZONH-UIOOFZCWSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000101970198 554856794 /nfs/dbraw/zinc/85/67/94/554856794.db2.gz TVRCJLOOMDUYMD-UPVQGACJSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970221 554856898 /nfs/dbraw/zinc/85/68/98/554856898.db2.gz VAJWDAYRXLRPPL-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101970225 554856914 /nfs/dbraw/zinc/85/69/14/554856914.db2.gz VAJWDAYRXLRPPL-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1C ZINC000101970409 554857113 /nfs/dbraw/zinc/85/71/13/554857113.db2.gz MHEGWZIVQWGGHK-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101970453 554857172 /nfs/dbraw/zinc/85/71/72/554857172.db2.gz WNZUHSUPILMKCA-ISKFKSNPSA-N -1 1 537.016 5.666 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970658 554857487 /nfs/dbraw/zinc/85/74/87/554857487.db2.gz VVIRWRCIEQOSDZ-GOTSBHOMSA-N -1 1 524.980 5.796 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970615 554857515 /nfs/dbraw/zinc/85/75/15/554857515.db2.gz ZNHLXQHXHHBMFC-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970551 554857574 /nfs/dbraw/zinc/85/75/74/554857574.db2.gz HTGBTXCGPOYUGU-IZZNHLLZSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000101970564 554857605 /nfs/dbraw/zinc/85/76/05/554857605.db2.gz HTGBTXCGPOYUGU-FTJBHMTQSA-N -1 1 530.625 5.629 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970677 554857635 /nfs/dbraw/zinc/85/76/35/554857635.db2.gz VVIRWRCIEQOSDZ-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000101970692 554857657 /nfs/dbraw/zinc/85/76/57/554857657.db2.gz DETMRDDZLJAFTE-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101970586 554857749 /nfs/dbraw/zinc/85/77/49/554857749.db2.gz CERRIMQBTNOZEG-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(C)c3)s2)cc1 ZINC000101970776 554857983 /nfs/dbraw/zinc/85/79/83/554857983.db2.gz FVHJDBCQMOOJIU-IZZNHLLZSA-N -1 1 547.080 6.143 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@H](c3ccc(C)cc3)C2)c1 ZINC000101970915 554858258 /nfs/dbraw/zinc/85/82/58/554858258.db2.gz JIGNNDKZQCLNME-AHWVRZQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3F)s2)cc1 ZINC000101970879 554858360 /nfs/dbraw/zinc/85/83/60/554858360.db2.gz ZSOBBXBAIMVJPK-DNQXCXABSA-N -1 1 537.016 5.666 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccccc3)s2)cc1 ZINC000101970895 554858408 /nfs/dbraw/zinc/85/84/08/554858408.db2.gz MJJOVMOOBUGYJL-DNQXCXABSA-N -1 1 547.478 5.935 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970956 554858513 /nfs/dbraw/zinc/85/85/13/554858513.db2.gz SUMRMHUYBBBBGY-RSXGOPAZSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000101971069 554858629 /nfs/dbraw/zinc/85/86/29/554858629.db2.gz SYPNORSLCICOSW-ILBGXUMGSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc(OC)c1 ZINC000101971159 554858916 /nfs/dbraw/zinc/85/89/16/554858916.db2.gz AVUJQYGRMVABTB-RRPNLBNLSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])c1 ZINC000101971285 554858964 /nfs/dbraw/zinc/85/89/64/554858964.db2.gz NYDXUDWSHSCWBW-JWQCQUIFSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971313 554859151 /nfs/dbraw/zinc/85/91/51/554859151.db2.gz AULHRZZRUBSYPH-IZZNHLLZSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971309 554859238 /nfs/dbraw/zinc/85/92/38/554859238.db2.gz AULHRZZRUBSYPH-FTJBHMTQSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101971317 554859269 /nfs/dbraw/zinc/85/92/69/554859269.db2.gz AULHRZZRUBSYPH-CLJLJLNGSA-N -1 1 531.081 6.443 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101971412 554859296 /nfs/dbraw/zinc/85/92/96/554859296.db2.gz NKJJVHHGTYEZFD-RPBOFIJWSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971618 554859602 /nfs/dbraw/zinc/85/96/02/554859602.db2.gz NXGYMETXPDHCEA-CLJLJLNGSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971610 554859608 /nfs/dbraw/zinc/85/96/08/554859608.db2.gz NXGYMETXPDHCEA-FTJBHMTQSA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101971603 554859642 /nfs/dbraw/zinc/85/96/42/554859642.db2.gz NXGYMETXPDHCEA-UIOOFZCWSA-N -1 1 528.634 5.190 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101972120 554860088 /nfs/dbraw/zinc/86/00/88/554860088.db2.gz NBLVUHBTXJKVQZ-IZZNHLLZSA-N -1 1 531.081 6.389 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972320 554860296 /nfs/dbraw/zinc/86/02/96/554860296.db2.gz CHOQWVILCDAQMJ-SVBPBHIXSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972469 554860705 /nfs/dbraw/zinc/86/07/05/554860705.db2.gz GWNNUHUHDXVZIW-UIOOFZCWSA-N -1 1 547.080 6.143 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000101972922 554861302 /nfs/dbraw/zinc/86/13/02/554861302.db2.gz OOFDGLONQKMQMH-CLJLJLNGSA-N -1 1 530.625 5.711 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972842 554861325 /nfs/dbraw/zinc/86/13/25/554861325.db2.gz COEUBSGLPNJJLL-ZEQRLZLVSA-N -1 1 539.007 6.105 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(OC)c3)nc2[O-])cc1 ZINC000101973158 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ZINC000101979006 554863415 /nfs/dbraw/zinc/86/34/15/554863415.db2.gz AIRZTIOZDCBKIA-UHFFFAOYSA-N -1 1 524.621 6.064 50 0 KKAAMM Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)sc1Nc1ccccc1F ZINC000102201725 554895534 /nfs/dbraw/zinc/89/55/34/554895534.db2.gz SAWPMKCNZAMDSH-JOCHJYFZSA-N -1 1 584.929 6.519 50 0 KKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(N3CC[NH+]([C@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000102314831 554911331 /nfs/dbraw/zinc/91/13/31/554911331.db2.gz HNUGGGWEBPHXCB-GOSISDBHSA-N -1 1 545.105 5.252 50 0 KKAAMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2nc(N3CC[NH+]([C@@H](C)CC(C)C)CC3)cc(C(=O)[O-])c2c1 ZINC000102314828 554911395 /nfs/dbraw/zinc/91/13/95/554911395.db2.gz HNUGGGWEBPHXCB-SFHVURJKSA-N -1 1 545.105 5.252 50 0 KKAAMM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000102456692 554934626 /nfs/dbraw/zinc/93/46/26/554934626.db2.gz JOJATEWUAGSSAY-UHFFFAOYSA-N -1 1 570.118 5.996 50 0 KKAAMM O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102564046 554969393 /nfs/dbraw/zinc/96/93/93/554969393.db2.gz NJMUSOJLJZIDAC-PFBJBMPXSA-N -1 1 559.405 6.264 50 0 KKAAMM CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c(Br)c(Br)c1[O-] ZINC000102594971 554975975 /nfs/dbraw/zinc/97/59/75/554975975.db2.gz QZZFVYZGISEXOH-OVWNDWIMSA-N -1 1 558.336 6.383 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(Cl)c4)s3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000102810356 555074439 /nfs/dbraw/zinc/07/44/39/555074439.db2.gz BNVWSFZPBRAMKV-RPWUZVMVSA-N -1 1 555.462 6.619 50 0 KKAAMM CCOC(=O)c1cc(C(=O)c2ccc(Br)cc2)[n-]c1Sc1ccccc1C(=O)NCCc1ccccc1 ZINC000102819529 555076360 /nfs/dbraw/zinc/07/63/60/555076360.db2.gz YLUHCNCARKJGDU-UHFFFAOYSA-N -1 1 577.500 6.309 50 0 KKAAMM CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)CCC(=O)[O-])[C@@H]3c3ccc(Cl)cc3Cl)C2)cc1 ZINC000102863331 555093314 /nfs/dbraw/zinc/09/33/14/555093314.db2.gz XTCNFCBEFBQSMD-MQFAKOPTSA-N -1 1 591.535 8.706 50 0 KKAAMM COc1cc(CN2C(=O)N(c3cccc(Cl)c3)[C@H](N([O-])C(=O)Nc3cccc(Cl)c3)C2(C)C)cc(OC)c1 ZINC000102885734 555115693 /nfs/dbraw/zinc/11/56/93/555115693.db2.gz BHFQQRSNVKKOGL-XMMPIXPASA-N -1 1 559.450 6.481 50 0 KKAAMM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cc(S(=O)(=O)[N-]c4cccc(Cl)c4)ccc3Cl)cc12 ZINC000102922814 555147567 /nfs/dbraw/zinc/14/75/67/555147567.db2.gz MESKQGIBMKQWMV-UHFFFAOYSA-N -1 1 575.474 6.894 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000102998244 555197471 /nfs/dbraw/zinc/19/74/71/555197471.db2.gz PTWLKVFJZNLPSE-UHFFFAOYSA-N -1 1 562.478 7.570 50 0 KKAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)cc2)cc1 ZINC000103001048 555200950 /nfs/dbraw/zinc/20/09/50/555200950.db2.gz AEJCBDQJPDKKMS-UHFFFAOYSA-N -1 1 584.075 5.397 50 0 KKAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C(C)(C)C)C/C3=C/c2cccs2)cc1 ZINC000103081922 555261057 /nfs/dbraw/zinc/26/10/57/555261057.db2.gz RQNIBVANFQLLLX-PFSTYLAZSA-N -1 1 594.777 7.856 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4ccccc4C(F)(F)F)CC3)nc2)cc1Cl ZINC000103310203 555357845 /nfs/dbraw/zinc/35/78/45/555357845.db2.gz OZLSEYMFEHZBRB-UHFFFAOYSA-N -1 1 524.996 5.185 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000103382770 555372429 /nfs/dbraw/zinc/37/24/29/555372429.db2.gz YNNIUOSCDCIAJH-UHFFFAOYSA-N -1 1 571.680 5.794 50 0 KKAAMM Cc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1C ZINC000103435371 555417748 /nfs/dbraw/zinc/41/77/48/555417748.db2.gz DPCKXCWGWOOWPQ-UHFFFAOYSA-N -1 1 573.671 6.233 50 0 KKAAMM COc1ccc(NC2=C(Sc3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)C(=O)N(c3cc(C)ccc3OC)C2=O)cc1 ZINC000103439337 555419145 /nfs/dbraw/zinc/41/91/45/555419145.db2.gz JEBUYACPWLWPEJ-UHFFFAOYSA-N -1 1 619.696 5.941 50 0 KKAAMM O=C1C(Nc2ccc(F)cc2)=C(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(F)cc1 ZINC000103439503 555419471 /nfs/dbraw/zinc/41/94/71/555419471.db2.gz XCEJOJPTRXGMTK-UHFFFAOYSA-N -1 1 598.052 6.408 50 0 KKAAMM COc1ccc(C)cc1N1C(=O)C(Nc2ccccc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1=O ZINC000103439448 555419492 /nfs/dbraw/zinc/41/94/92/555419492.db2.gz OWJVMFXCCIAJOR-UHFFFAOYSA-N -1 1 571.680 5.794 50 0 KKAAMM CCOc1ccc(-n2c(=O)c(-c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)cc(=O)[n-]c2=S)cc1 ZINC000135645078 571448609 /nfs/dbraw/zinc/44/86/09/571448609.db2.gz NFXOWQDZBSVPHP-UHFFFAOYSA-N -1 1 569.686 7.446 50 0 KKAAMM O=C([O-])[C@@H](Cc1cc(I)c(O)c(I)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150339620 571457531 /nfs/dbraw/zinc/45/75/31/571457531.db2.gz IKNWCIROCRMKAY-OAQYLSRUSA-N -1 1 655.226 5.136 50 0 KKAAMM CCOC(=O)N1CCN(C(=O)c2ccc(NCCc3ccc(Cl)cc3)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000150397092 571476751 /nfs/dbraw/zinc/47/67/51/571476751.db2.gz AXRNJTCFQDVVRP-UHFFFAOYSA-N -1 1 639.096 5.729 50 0 KKAAMM COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2cccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)C1=O ZINC000150404091 571479012 /nfs/dbraw/zinc/47/90/12/571479012.db2.gz FFURVAIOIJIIAN-UHFFFAOYSA-N -1 1 639.796 5.623 50 0 KKAAMM Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)c(S(=O)(=O)[N-]c4cccc(C(F)(F)F)c4)c3)c2)cc1 ZINC000150408054 571480540 /nfs/dbraw/zinc/48/05/40/571480540.db2.gz ZNOUHQGVXCKYQY-UHFFFAOYSA-N -1 1 672.751 6.492 50 0 KKAAMM O=C(NCCc1ccc(Cl)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000150411285 571483681 /nfs/dbraw/zinc/48/36/81/571483681.db2.gz BTSQYGSZCVHIOO-VWNXMTODSA-N -1 1 682.040 5.661 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000150436611 571496238 /nfs/dbraw/zinc/49/62/38/571496238.db2.gz PPGNONMEQRMMFH-UHFFFAOYSA-N -1 1 655.538 7.801 50 0 KKAAMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000150436362 571496269 /nfs/dbraw/zinc/49/62/69/571496269.db2.gz XZMFIUONDMQNNF-UHFFFAOYSA-N -1 1 655.538 7.801 50 0 KKAAMM COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc(I)c5[O-])c(=O)n42)c2ccccc2CC3)c1 ZINC000150436958 571496401 /nfs/dbraw/zinc/49/64/01/571496401.db2.gz WLEJTKZYOOAAHB-PLQXQRLBSA-N -1 1 671.354 5.400 50 0 KKAAMM CCCCCCc1cc2cc(-c3csc(-c4nc(-c5cc6cc(CCCCCC)c(O)cc6oc5=O)cs4)n3)c(=O)oc2cc1[O-] ZINC000150443994 571499606 /nfs/dbraw/zinc/49/96/06/571499606.db2.gz NBHXZLQBQYFSFR-UHFFFAOYSA-N -1 1 656.826 9.470 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3c(C)n(C(=O)c4ccc(Cl)cc4)c4ccc(OC)cc43)ccc2N2CCOCC2)cc1 ZINC000150446867 571501134 /nfs/dbraw/zinc/50/11/34/571501134.db2.gz VFUKRPIPAJSVCI-UHFFFAOYSA-N -1 1 703.217 6.127 50 0 KKAAMM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc32)c1 ZINC000150453596 571503600 /nfs/dbraw/zinc/50/36/00/571503600.db2.gz YYRRITGBRZCJMW-UHFFFAOYSA-N -1 1 670.791 7.467 50 0 KKAAMM CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)OC(=O)c1ccc([N-]S(=O)(=O)c3cc(C(C)(C)C)cc(C)c3C)cc1)CCCC2 ZINC000150462392 571506569 /nfs/dbraw/zinc/50/65/69/571506569.db2.gz DHYWPSODTYFQKD-NRFANRHFSA-N -1 1 640.824 6.703 50 0 KKAAMM O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=C([O-])c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 ZINC000169691866 571558508 /nfs/dbraw/zinc/55/85/08/571558508.db2.gz PTFOVOBVFXEMIF-OPYAIIAOSA-N -1 1 533.717 6.011 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2coc3ccc(C)cc3c2=O)cc1OC ZINC000263586917 572125734 /nfs/dbraw/zinc/12/57/34/572125734.db2.gz ZPQSCMDVMOBZID-MRXNPFEDSA-N -1 1 526.497 5.039 50 0 KKAAMM COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@H]2c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000245226183 572203635 /nfs/dbraw/zinc/20/36/35/572203635.db2.gz JVQKSUQLLRSLAI-BXOOBUKZSA-N -1 1 537.634 5.422 50 0 KKAAMM O=C(c1ccccc1)[C@@H]1C(=C([O-])c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245240189 572213823 /nfs/dbraw/zinc/21/38/23/572213823.db2.gz MWMJSFKBKYSSKJ-ALBQUZEBSA-N -1 1 520.972 5.789 50 0 KKAAMM COc1ccc2nc3c(cc2c1)[C@@H](CC(=O)N1CCCCC1)c1c(cc(=O)c2c([O-])cc(-c4ccccc4)oc1-2)O3 ZINC000253406015 572286245 /nfs/dbraw/zinc/28/62/45/572286245.db2.gz IQOHCFPESRRCML-JOCHJYFZSA-N -1 1 548.595 6.363 50 0 KKAAMM COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)c(=O)c2c1 ZINC000253406659 572286474 /nfs/dbraw/zinc/28/64/74/572286474.db2.gz JCCKJZNRNFDHDV-INIZCTEOSA-N -1 1 516.889 5.375 50 0 KKAAMM O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000253412640 572288098 /nfs/dbraw/zinc/28/80/98/572288098.db2.gz RPGGGJSIMJHOAB-OAQYLSRUSA-N -1 1 525.944 6.234 50 0 KKAAMM COc1ccc2cc3c(nc2c1)Oc1cc(=O)c2c([O-])cc(-c4ccccc4)oc-2c1[C@@H]3CC(=O)N1CCCCC1 ZINC000253412890 572288172 /nfs/dbraw/zinc/28/81/72/572288172.db2.gz SJWNYAFXXWPCDV-JOCHJYFZSA-N -1 1 548.595 6.363 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccccc3OCCc3ccc5c(c3)CCO5)CC(=O)O4)c2=O)cc1OC ZINC000524732149 1069836386 /nfs/dbraw/zinc/83/63/86/1069836386.db2.gz ZHOMOKSXIMUJFE-DEOSSOPVSA-N -1 1 606.627 6.180 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccccc2OCCc2ccc3c(c2)CCO3)cc1OC ZINC000524732149 1069836408 /nfs/dbraw/zinc/83/64/08/1069836408.db2.gz ZHOMOKSXIMUJFE-DEOSSOPVSA-N -1 1 606.627 6.180 50 0 KKAAMM COC(=O)C1=C(C)NC2=C(C(=O)[C@@]3(Oc4c(c(OC)cc(OC)c4Cl)C3=O)[C@@H](C)C2)[C@H]1c1ccc([O-])c(Cl)c1 ZINC000888089006 1071057550 /nfs/dbraw/zinc/05/75/50/1071057550.db2.gz BXHXKFSKBOKMDC-PVSDAVGBSA-N -1 1 574.413 5.567 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ccc2N2CCOCC2)cc1 ZINC000150655815 1071177225 /nfs/dbraw/zinc/17/72/25/1071177225.db2.gz TYNDUTFCFKMKJS-NVMNQCDNSA-N -1 1 653.736 5.976 50 0 KKAAMM O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)[N-]c3ccccc3Cl)o2)cc1 ZINC000254394088 1072851873 /nfs/dbraw/zinc/85/18/73/1072851873.db2.gz ADJKAOHVYGFMEP-UHFFFAOYSA-N -1 1 541.929 5.663 50 0 KKAAMM O=C(N=C1c2ccccc2CN1c1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1c(F)cccc1F ZINC000254573164 1072864759 /nfs/dbraw/zinc/86/47/59/1072864759.db2.gz NRTDYRGKTMVEIJ-UHFFFAOYSA-N -1 1 623.081 5.863 50 0 KKAAMM CC(=NNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 ZINC000254741810 1072875012 /nfs/dbraw/zinc/87/50/12/1072875012.db2.gz FGIBGMHVUOMTCO-UHFFFAOYSA-N -1 1 506.809 5.057 50 0 KKAAMM O=[N+]([O-])c1ccc(N=NCc2ccc(OC(F)F)cc2OC(F)F)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000254838832 1072883591 /nfs/dbraw/zinc/88/35/91/1072883591.db2.gz XNBOKYBZWNDLEQ-UHFFFAOYSA-N -1 1 562.885 5.698 50 0 KKAAMM CCCCCN1C(=O)C(=NNc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c2ccccc21 ZINC000254897581 1072889025 /nfs/dbraw/zinc/88/90/25/1072889025.db2.gz LVTWQRMCNJDQRA-UHFFFAOYSA-N -1 1 542.017 5.402 50 0 KKAAMM CC1(C)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C(=O)N1CC(=O)N/N=C\c1ccco1 ZINC000150499997 1072905814 /nfs/dbraw/zinc/90/58/14/1072905814.db2.gz FFZAFMKZMMHENM-YDALMNANSA-N -1 1 628.300 6.314 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCc2ccccc2N(S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001505838615 1072923141 /nfs/dbraw/zinc/92/31/41/1072923141.db2.gz KRFXYPRMOHFLGR-UHFFFAOYSA-N -1 1 675.854 6.609 50 0 KKAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1Br ZINC000000659773 551515335 /nfs/dbraw/zinc/51/53/35/551515335.db2.gz NKQJGIVBUCMOGL-UHFFFAOYSA-N -1 1 599.834 5.732 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000000786412 551542611 /nfs/dbraw/zinc/54/26/11/551542611.db2.gz SJJKUNDBFWUAQB-UHFFFAOYSA-N -1 1 510.207 5.265 50 0 in-vitro KKAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4ccc(C(C)=O)cc4)ccc2-3)cc1 ZINC000000843841 551547715 /nfs/dbraw/zinc/54/77/15/551547715.db2.gz VYNQIZKZMQXNHG-UHFFFAOYSA-N -1 1 560.653 5.265 50 0 KKAAMM O=C(OC(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F)c1cccs1 ZINC000000950617 551589226 /nfs/dbraw/zinc/58/92/26/551589226.db2.gz DGDUCFPUZFYDPM-UHFFFAOYSA-N -1 1 509.449 5.726 50 0 KKAAMM CC1(C)[C@@H](N([O-])C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1CCC1=CCCCC1 ZINC000001055037 551600078 /nfs/dbraw/zinc/60/00/78/551600078.db2.gz BGDPQMXHQGIIIY-HSZRJFAPSA-N -1 1 517.457 7.154 50 0 KKAAMM COc1cc2ccnc(Cc3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)c2cc1OC ZINC000001322920 551642091 /nfs/dbraw/zinc/64/20/91/551642091.db2.gz VHXOUUCYYCMITN-UHFFFAOYSA-N -1 1 582.678 6.232 50 0 biogenic KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2cccnc2)cc1 ZINC000001408921 551663687 /nfs/dbraw/zinc/66/36/87/551663687.db2.gz NSBOXQMCRJMXMZ-UVDDSOTQSA-N -1 1 523.633 6.794 50 0 KKAAMM COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1OC ZINC000001408967 551663723 /nfs/dbraw/zinc/66/37/23/551663723.db2.gz FNWADMKLGSWNIG-BGOLNKOXSA-N -1 1 526.589 6.119 50 0 KKAAMM O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1[O-])C1(Br)c3ccccc3C2(Br)c2ccccc21 ZINC000002058809 551740899 /nfs/dbraw/zinc/74/08/99/551740899.db2.gz CLYDMFNODINRQV-CSKPTYFESA-N -1 1 559.641 5.455 50 0 KKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2[O-])n1 ZINC000002204413 551793229 /nfs/dbraw/zinc/79/32/29/551793229.db2.gz YLTLQYWNLIJYIP-UHFFFAOYSA-N -1 1 533.209 6.872 50 0 KKAAMM O=c1/c(=C/c2ccc([O-])c(Br)c2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000002363695 552103353 /nfs/dbraw/zinc/10/33/53/552103353.db2.gz XTLUGAKTVXLBGI-CBYYHRJHSA-N -1 1 549.877 5.440 50 0 KKAAMM Nc1ncc(Oc2ccccc2Br)c(-c2ccc(OCc3c(F)cccc3Cl)cc2[O-])n1 ZINC000002404783 552112316 /nfs/dbraw/zinc/11/23/16/552112316.db2.gz WDYIIUQAZHDYQI-UHFFFAOYSA-N -1 1 516.754 6.358 50 0 KKAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1Cl ZINC000002659880 552150232 /nfs/dbraw/zinc/15/02/32/552150232.db2.gz UNXFTEDERYWTOI-IBGZPJMESA-N -1 1 599.492 7.079 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(F)cc3Cl)ccc2N2CCCC2)cc1 ZINC000002912070 552214879 /nfs/dbraw/zinc/21/48/79/552214879.db2.gz PKTVBSXWRUMCSW-UHFFFAOYSA-N -1 1 502.011 5.119 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)Oc3cccc4cccnc43)ccc2NCCc2ccc(Cl)cc2)c1 ZINC000003019718 552263318 /nfs/dbraw/zinc/26/33/18/552263318.db2.gz ILPQHURBIOCPDN-UHFFFAOYSA-N -1 1 588.085 6.571 50 0 KKAAMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000003215107 552306522 /nfs/dbraw/zinc/30/65/22/552306522.db2.gz SWVSECMWIFLYQN-UHFFFAOYSA-N -1 1 526.536 6.338 50 0 KKAAMM CCCc1cc(=O)[n-]c(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003311587 552352227 /nfs/dbraw/zinc/35/22/27/552352227.db2.gz UJQGKBVZXUVASG-ZEQRLZLVSA-N -1 1 512.056 5.396 50 0 KKAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003355186 552368467 /nfs/dbraw/zinc/36/84/67/552368467.db2.gz KCZACYKGCYUUOY-UHFFFAOYSA-N -1 1 532.593 5.012 50 0 KKAAMM CCOC(=O)c1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3)c3ccccc3c2oc1-c1ccccc1 ZINC000003368606 552374644 /nfs/dbraw/zinc/37/46/44/552374644.db2.gz BDXBOTCHJMJUEB-UHFFFAOYSA-N -1 1 501.560 6.239 50 0 KKAAMM CCOC(=O)c1sc2nc([C@@H](C)OC(=O)c3cc(S(=O)(=O)[N-]c4cccc(C)c4)ccc3Cl)[nH]c(=O)c2c1C ZINC000004622568 552469201 /nfs/dbraw/zinc/46/92/01/552469201.db2.gz UAOPUCJTDOCQNB-OAHLLOKOSA-N -1 1 590.079 5.150 50 0 KKAAMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc1-2 ZINC000005344964 552497736 /nfs/dbraw/zinc/49/77/36/552497736.db2.gz OCBQWWMYTQWDPJ-UHFFFAOYSA-N -1 1 612.573 6.897 50 0 KKAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000005942048 552514434 /nfs/dbraw/zinc/51/44/34/552514434.db2.gz KWQZLRJYAJRDJP-UHFFFAOYSA-N -1 1 577.943 6.202 50 0 KKAAMM O=C(Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccc1Br ZINC000005942087 552514439 /nfs/dbraw/zinc/51/44/39/552514439.db2.gz SSHQMNMJGRQTDK-UHFFFAOYSA-N -1 1 548.890 6.146 50 0 KKAAMM CCCCN1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H](N([O-])C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000006088620 552530387 /nfs/dbraw/zinc/53/03/87/552530387.db2.gz GGCQAQUQMCMMQD-LJQANCHMSA-N -1 1 534.271 7.370 50 0 KKAAMM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006140371 552542954 /nfs/dbraw/zinc/54/29/54/552542954.db2.gz XLPJMOWLYULKDP-GFCCVEGCSA-N -1 1 562.900 5.622 50 0 KKAAMM O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000008439945 553036298 /nfs/dbraw/zinc/03/62/98/553036298.db2.gz XVXHPJCEBGEEKA-FQEVSTJZSA-N -1 1 547.283 6.159 50 0 KKAAMM O=S(=O)([N-]c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000008626482 553103869 /nfs/dbraw/zinc/10/38/69/553103869.db2.gz ATWSLINTGLEIIK-UHFFFAOYSA-N -1 1 594.247 6.921 50 0 KKAAMM O=C(CCCCCNC(=O)OCc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000008917967 553187284 /nfs/dbraw/zinc/18/72/84/553187284.db2.gz MVXCRLRFYLZKPM-UHFFFAOYSA-N -1 1 501.535 5.558 50 0 biogenic KKAAMM O=C(CCCCCNC(=O)OCc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000008917967 553187287 /nfs/dbraw/zinc/18/72/87/553187287.db2.gz MVXCRLRFYLZKPM-UHFFFAOYSA-N -1 1 501.535 5.558 50 0 biogenic KKAAMM Cc1ccc2c(c1)-c1nc(SCC(=O)Nc3ccc(Br)cc3)[n-]c(=O)c1C1(CCCCC1)C2 ZINC000009007875 553198348 /nfs/dbraw/zinc/19/83/48/553198348.db2.gz DQRQPYAUXBRUBZ-UHFFFAOYSA-N -1 1 524.484 5.997 50 0 KKAAMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)cc2)C1 ZINC000009367550 553249368 /nfs/dbraw/zinc/24/93/68/553249368.db2.gz MFMVCMIRDQEBNH-QZTJIDSGSA-N -1 1 521.664 5.588 50 0 KKAAMM CCOc1ccc(-c2c(C)[n-]n3c2nc(C)c(N2CCC(Cc4ccccc4)CC2)c3=O)cc1OCC ZINC000009408127 553256896 /nfs/dbraw/zinc/25/68/96/553256896.db2.gz FLZICBRVCARFHW-UHFFFAOYSA-N -1 1 500.643 5.975 50 0 KKAAMM Cc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c1 ZINC000009425556 553259560 /nfs/dbraw/zinc/25/95/60/553259560.db2.gz FPDCHRUIAKMSNN-PNOGMODKSA-N -1 1 509.631 7.353 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000009432153 553261296 /nfs/dbraw/zinc/26/12/96/553261296.db2.gz XLHUGCIKYZNQDF-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1cccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)c1 ZINC000009432235 553261980 /nfs/dbraw/zinc/26/19/80/553261980.db2.gz ACJGLYFWHOCXCI-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000009432282 553262506 /nfs/dbraw/zinc/26/25/06/553262506.db2.gz YSSRFQWHBWHQNR-RPBOFIJWSA-N -1 1 518.589 5.760 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000009432294 553262540 /nfs/dbraw/zinc/26/25/40/553262540.db2.gz LVWKWKAJSMWLEI-FTJBHMTQSA-N -1 1 514.626 5.929 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@H]3c3cccc(C)c3)nc2[O-])cc1 ZINC000009432314 553262677 /nfs/dbraw/zinc/26/26/77/553262677.db2.gz ALPAYZTXJCMBRV-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(C)c4)s3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000009597361 553283749 /nfs/dbraw/zinc/28/37/49/553283749.db2.gz NKDZKOJRVYSLCJ-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000011866376 553346796 /nfs/dbraw/zinc/34/67/96/553346796.db2.gz INIHFGGCMDOOHW-UHFFFAOYSA-N -1 1 511.500 6.022 50 0 KKAAMM CCOc1ccc(NC(=O)CSc2[n-]c(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 ZINC000012112505 553351419 /nfs/dbraw/zinc/35/14/19/553351419.db2.gz ODMCXHQDQXKRHT-UHFFFAOYSA-N -1 1 507.637 5.347 50 0 KKAAMM CCCCn1nc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c2ccccc2c1=O ZINC000012546665 553391867 /nfs/dbraw/zinc/39/18/67/553391867.db2.gz VUKHRLKLKNRHAN-UHFFFAOYSA-N -1 1 518.639 5.175 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000012562943 553395206 /nfs/dbraw/zinc/39/52/06/553395206.db2.gz WMFLAKZRWHKDOC-UHFFFAOYSA-N -1 1 502.558 5.601 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000012570267 553398343 /nfs/dbraw/zinc/39/83/43/553398343.db2.gz IJGLMKYDMLKTKU-UHFFFAOYSA-N -1 1 517.994 6.510 50 0 KKAAMM O=c1cc(CSc2nnc(-c3c[nH]c4ccccc43)n2-c2ccc(Cl)cc2)c2ccc([O-])cc2o1 ZINC000012678686 553412660 /nfs/dbraw/zinc/41/26/60/553412660.db2.gz RBSLDCDEYQZYPQ-UHFFFAOYSA-N -1 1 500.967 6.173 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000013811452 553492664 /nfs/dbraw/zinc/49/26/64/553492664.db2.gz PFQZZQCRQNQZAQ-NHKHRBQYSA-N -1 1 514.622 5.932 50 0 KKAAMM CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(OCCCOc5ccc(Cl)cc5)cc4)[n-]c(=O)c23)C1 ZINC000013896759 553494846 /nfs/dbraw/zinc/49/48/46/553494846.db2.gz BYOCPMCXNNBCCF-LJQANCHMSA-N -1 1 523.098 7.304 50 0 KKAAMM COc1cc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc(OC)c1 ZINC000013936208 553496013 /nfs/dbraw/zinc/49/60/13/553496013.db2.gz HIPYHQCAKSSIMC-UHFFFAOYSA-N -1 1 512.440 5.620 50 0 KKAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015838074 553537649 /nfs/dbraw/zinc/53/76/49/553537649.db2.gz DOFBDAXAOSDSKY-UHFFFAOYSA-N -1 1 512.056 5.911 50 0 KKAAMM CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc([O-])c(Br)cc2Br)N3)C1 ZINC000017085968 553587802 /nfs/dbraw/zinc/58/78/02/553587802.db2.gz WDDQICMSCYFJLC-XLFHBGCDSA-N -1 1 514.283 5.984 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc1[O-])Nc1ccc(F)c(Cl)c1 ZINC000020134642 553592849 /nfs/dbraw/zinc/59/28/49/553592849.db2.gz VAEJEMKZFYBGCK-DHIUTWEWSA-N -1 1 506.990 5.657 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000020134985 553593172 /nfs/dbraw/zinc/59/31/72/553593172.db2.gz SHJASDJNRCZYIE-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020135125 553593193 /nfs/dbraw/zinc/59/31/93/553593193.db2.gz DHSXOTHNKPFALJ-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000020135561 553593411 /nfs/dbraw/zinc/59/34/11/553593411.db2.gz OSGHVCHTVZHCBR-DNQXCXABSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000020135319 553593457 /nfs/dbraw/zinc/59/34/57/553593457.db2.gz ZYTGUKVOUUUWPS-ZEQRLZLVSA-N -1 1 503.027 5.826 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018010932 553601498 /nfs/dbraw/zinc/60/14/98/553601498.db2.gz WSGXYDUGBGMQTN-IARZGTGTSA-N -1 1 500.595 5.624 50 0 KKAAMM CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000017994417 553601527 /nfs/dbraw/zinc/60/15/27/553601527.db2.gz BOFLRWNUAIVPMS-FCEKVYKBSA-N -1 1 500.595 5.624 50 0 KKAAMM COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3[O-])nc(N)nc2C(F)(F)F)cc1OC ZINC000071386387 553635710 /nfs/dbraw/zinc/63/57/10/553635710.db2.gz FNMCKUYMQUQIBN-UHFFFAOYSA-N -1 1 531.918 6.367 50 0 KKAAMM Cc1sc2[n-]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c(=O)c2c1-c1ccccc1 ZINC000020295181 553636036 /nfs/dbraw/zinc/63/60/36/553636036.db2.gz HTPAKYYDWXAOSP-UHFFFAOYSA-N -1 1 506.049 5.892 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4)s3)[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000020490630 553661180 /nfs/dbraw/zinc/66/11/80/553661180.db2.gz ORMXBYKDBYQCEH-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000020490622 553661186 /nfs/dbraw/zinc/66/11/86/553661186.db2.gz WRPSQSXOMZCPMS-RPBOFIJWSA-N -1 1 516.598 5.321 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490594 553661234 /nfs/dbraw/zinc/66/12/34/553661234.db2.gz SFROHCJSYFUVCY-ZEQRLZLVSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490702 553661663 /nfs/dbraw/zinc/66/16/63/553661663.db2.gz BTEUHYGAXQQNFL-DNQXCXABSA-N -1 1 504.562 5.451 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490714 553661675 /nfs/dbraw/zinc/66/16/75/553661675.db2.gz SENQOYBAHGIOGU-BJKOFHAPSA-N -1 1 520.561 5.151 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000020490735 553661959 /nfs/dbraw/zinc/66/19/59/553661959.db2.gz LSHIPAVOHBIASB-DQEYMECFSA-N -1 1 518.589 5.760 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1cccc(F)c1 ZINC000020490727 553662083 /nfs/dbraw/zinc/66/20/83/553662083.db2.gz HSJWZLIWPHMEET-DHIUTWEWSA-N -1 1 508.525 5.282 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000020490823 553662401 /nfs/dbraw/zinc/66/24/01/553662401.db2.gz YBIRRHGVVMGIIA-JWQCQUIFSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020490819 553662489 /nfs/dbraw/zinc/66/24/89/553662489.db2.gz SEPSGLHSFPZEHY-IZZNHLLZSA-N -1 1 512.635 5.490 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1 ZINC000020490788 553662513 /nfs/dbraw/zinc/66/25/13/553662513.db2.gz NHCCOGMQPXENIB-PKTZIBPZSA-N -1 1 506.990 5.657 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490923 553663230 /nfs/dbraw/zinc/66/32/30/553663230.db2.gz OCOAPPLNYIQFQG-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490907 553663337 /nfs/dbraw/zinc/66/33/37/553663337.db2.gz QNNTUXFSZAQWNF-ZEQRLZLVSA-N -1 1 504.562 5.451 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000020490925 553663344 /nfs/dbraw/zinc/66/33/44/553663344.db2.gz YKMMZLAVIHGLEM-CLJLJLNGSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020490919 553663368 /nfs/dbraw/zinc/66/33/68/553663368.db2.gz OCOAPPLNYIQFQG-JWQCQUIFSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000020490970 553663775 /nfs/dbraw/zinc/66/37/75/553663775.db2.gz URGKPIKEVZIJCN-IZZNHLLZSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000020491029 553664126 /nfs/dbraw/zinc/66/41/26/553664126.db2.gz OMRYGNUCDAPTRY-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000020491173 553664427 /nfs/dbraw/zinc/66/44/27/553664427.db2.gz YMDKYNSIBWCEDO-LOSJGSFVSA-N -1 1 517.054 6.135 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)cc4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491198 553664471 /nfs/dbraw/zinc/66/44/71/553664471.db2.gz DPEICHWLFIRBHE-DNQXCXABSA-N -1 1 502.571 5.012 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(C)cc3)nc2[O-])cc1 ZINC000020491169 553664482 /nfs/dbraw/zinc/66/44/82/553664482.db2.gz VPFYQGZVLJLHBK-UIOOFZCWSA-N -1 1 512.635 5.572 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4Cl)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491280 553664686 /nfs/dbraw/zinc/66/46/86/553664686.db2.gz WDTBQIKFJOOCLC-RPWUZVMVSA-N -1 1 519.026 5.527 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491246 553664706 /nfs/dbraw/zinc/66/47/06/553664706.db2.gz IEPMELQJCISHDB-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4C)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491262 553664746 /nfs/dbraw/zinc/66/47/46/553664746.db2.gz LDPVOHJZQGZXCF-CLJLJLNGSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cc(C)cc(C)c4)s3)[C@@H](c3ccccc3)C2)cc1 ZINC000020491256 553664832 /nfs/dbraw/zinc/66/48/32/553664832.db2.gz PSRFLZCKOQKCOR-FTJBHMTQSA-N -1 1 512.635 5.490 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491276 553664919 /nfs/dbraw/zinc/66/49/19/553664919.db2.gz AIOLWGDDVBJHAS-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(Cl)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491404 553665049 /nfs/dbraw/zinc/66/50/49/553665049.db2.gz CXVIXKPUQSBGAD-DQEYMECFSA-N -1 1 517.054 6.135 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)cc1 ZINC000020491348 553665203 /nfs/dbraw/zinc/66/52/03/553665203.db2.gz FMRYOJNSRJFZRC-DQEYMECFSA-N -1 1 500.599 5.620 50 0 KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(OC)cc6)coc5c43)cc2)cc1 ZINC000085876477 553688907 /nfs/dbraw/zinc/68/89/07/553688907.db2.gz XUFSMLRMXFILAW-AREMUKBSSA-N -1 1 564.590 6.245 50 0 biogenic KKAAMM COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(OC)cc6)coc-5c43)cc2)cc1 ZINC000085876477 553688912 /nfs/dbraw/zinc/68/89/12/553688912.db2.gz XUFSMLRMXFILAW-AREMUKBSSA-N -1 1 564.590 6.245 50 0 biogenic KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cc(C)cc(C)c3)s2)cc1 ZINC000020903557 553701592 /nfs/dbraw/zinc/70/15/92/553701592.db2.gz ADNYJDXIDPZVNO-UIOOFZCWSA-N -1 1 514.626 5.929 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@H]3c3ccc(F)cc3)nc2[O-])cc1 ZINC000020903578 553701597 /nfs/dbraw/zinc/70/15/97/553701597.db2.gz JQJLCIYTJJYTDV-ZEQRLZLVSA-N -1 1 502.571 5.012 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000020903704 553702269 /nfs/dbraw/zinc/70/22/69/553702269.db2.gz ADBJFJPESHZPRY-JWQCQUIFSA-N -1 1 500.599 5.566 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000020903722 553702308 /nfs/dbraw/zinc/70/23/08/553702308.db2.gz BNURSXRXULOLHR-DQEYMECFSA-N -1 1 517.054 6.080 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000020903739 553702327 /nfs/dbraw/zinc/70/23/27/553702327.db2.gz RLSNRDIVUZMRSQ-UIOOFZCWSA-N -1 1 514.626 5.874 50 0 KKAAMM CCc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3C)s2)cc1 ZINC000020903768 553702530 /nfs/dbraw/zinc/70/25/30/553702530.db2.gz PGTIRROQRYQBAT-RRPNLBNLSA-N -1 1 510.663 6.044 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904036 553703263 /nfs/dbraw/zinc/70/32/63/553703263.db2.gz HQDPVZJFJHJVEA-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904028 553703319 /nfs/dbraw/zinc/70/33/19/553703319.db2.gz FJCHWJCMNXVEMS-DNQXCXABSA-N -1 1 503.027 5.826 50 0 KKAAMM Cc1ccc(NC(=O)Cc2sc(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000020904026 553703335 /nfs/dbraw/zinc/70/33/35/553703335.db2.gz FJCHWJCMNXVEMS-RPWUZVMVSA-N -1 1 503.027 5.826 50 0 KKAAMM COc1cccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccccc3)C2)c1 ZINC000020904087 553703587 /nfs/dbraw/zinc/70/35/87/553703587.db2.gz NIDZTYRXNHLWLQ-LOSJGSFVSA-N -1 1 516.598 5.321 50 0 KKAAMM Cc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)nc1[O-] ZINC000020904074 553703607 /nfs/dbraw/zinc/70/36/07/553703607.db2.gz NTDHYMJLBZESFT-RPWUZVMVSA-N -1 1 521.017 5.965 50 0 KKAAMM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5cccc(Cl)c5)cc4)cn3)n2)cc1 ZINC000021353413 553709739 /nfs/dbraw/zinc/70/97/39/553709739.db2.gz UVQAVHKKFASYCR-UHFFFAOYSA-N -1 1 505.987 5.411 50 0 KKAAMM CC(C)(C)P(=NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)(N1CCCCCC1)N1CCCCCC1 ZINC000096022666 553722133 /nfs/dbraw/zinc/72/21/33/553722133.db2.gz CWKXVUHSPMUZBG-UHFFFAOYSA-N -1 1 657.809 8.785 50 0 KKAAMM COCCNC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1cc(C)ccc1C ZINC000096275235 553732281 /nfs/dbraw/zinc/73/22/81/553732281.db2.gz ITVJSIDSWFPFSA-UHFFFAOYSA-N -1 1 526.058 5.137 50 0 KKAAMM O=C(CSc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097948518 553794384 /nfs/dbraw/zinc/79/43/84/553794384.db2.gz OJZRKFFAXWUPEA-UHFFFAOYSA-N -1 1 577.175 6.154 50 0 KKAAMM COc1ccccc1CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N([O-])C(=O)Nc2cccc(Cl)c2)C1(C)C ZINC000097949756 553803161 /nfs/dbraw/zinc/80/31/61/553803161.db2.gz HQYTVFXTQQHAKA-XMMPIXPASA-N -1 1 543.451 6.515 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)Nc5cccc(OC)c5)cc4c3c2)c1 ZINC000029747523 553848035 /nfs/dbraw/zinc/84/80/35/553848035.db2.gz UOCLNGLZXNQZBR-UHFFFAOYSA-N -1 1 538.603 5.205 50 0 KKAAMM Cc1sc(NC(=O)c2cc3ccc([O-])cc3o/c2=N\c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000097958514 553855460 /nfs/dbraw/zinc/85/54/60/553855460.db2.gz CWVZYFSBPQTMJI-FPODKLOTSA-N -1 1 529.621 7.722 50 0 KKAAMM Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000097961458 553878206 /nfs/dbraw/zinc/87/82/06/553878206.db2.gz NUOQFVDOIVVNPY-UHFFFAOYSA-N -1 1 553.975 6.157 50 0 KKAAMM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccc(C)c(Cl)c5)cc4)cn3)n2)c1 ZINC000032974773 553883703 /nfs/dbraw/zinc/88/37/03/553883703.db2.gz OJGRJBFQEAMUQL-UHFFFAOYSA-N -1 1 520.014 5.719 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1)c1ccc(Cl)cc1 ZINC000032974786 553883849 /nfs/dbraw/zinc/88/38/49/553883849.db2.gz IJTBQMVJQLCAOB-UHFFFAOYSA-N -1 1 509.950 5.242 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C/c3ccc(Br)cc3)CCC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000097965179 553903451 /nfs/dbraw/zinc/90/34/51/553903451.db2.gz BQWHNOAIHYJWSK-AVQUNYNYSA-N -1 1 739.917 9.103 50 0 KKAAMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000033356360 553940960 /nfs/dbraw/zinc/94/09/60/553940960.db2.gz HWQJTAPFRHBKIJ-GOSISDBHSA-N -1 1 526.949 5.022 50 0 KKAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 ZINC000097971186 553961104 /nfs/dbraw/zinc/96/11/04/553961104.db2.gz XOZIXFYDUVYLAZ-PUZXABNQSA-N -1 1 582.125 7.578 50 0 KKAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C3C(=Cc4ccc(OC)cc4)CCC[C@@H]3[C@H]2c2ccc(OC)cc2)n1 ZINC000097979375 553978800 /nfs/dbraw/zinc/97/88/00/553978800.db2.gz KWXPAEFDRPNJAI-YHMLWLOXSA-N -1 1 558.704 5.655 50 0 KKAAMM CC(=O)N1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000097985363 554023195 /nfs/dbraw/zinc/02/31/95/554023195.db2.gz LWFVHOGJAQEAGI-UHFFFAOYSA-N -1 1 595.043 5.076 50 0 KKAAMM CCOC(=O)c1c2cc([O-])c(Br)cc2n(Cc2ccccc2)c1CN1CCN(c2ccccc2C)CC1 ZINC000098003549 554055045 /nfs/dbraw/zinc/05/50/45/554055045.db2.gz QDMZABCJBHJAKY-UHFFFAOYSA-N -1 1 562.508 5.965 50 0 biogenic,in-vitro KKAAMM Cc1noc(-c2ccccc2)c1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000035671371 554062542 /nfs/dbraw/zinc/06/25/42/554062542.db2.gz IBIZVPIIVXWUNK-UHFFFAOYSA-N -1 1 505.452 6.920 50 0 KKAAMM Cc1ccc(N2C(=O)CS[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1C ZINC000035912492 554095909 /nfs/dbraw/zinc/09/59/09/554095909.db2.gz HNBAEDKWLMBVHJ-HSZRJFAPSA-N -1 1 517.470 5.645 50 0 KKAAMM COc1ccc(CNc2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)cc2S(=O)(=O)[N-]c2cccc(OC)c2)cc1 ZINC000098049730 554168507 /nfs/dbraw/zinc/16/85/07/554168507.db2.gz FCVRIFLVBXISKN-OYRHEFFESA-N -1 1 537.682 5.235 50 0 KKAAMM COc1ccccc1CNc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000098049735 554168512 /nfs/dbraw/zinc/16/85/12/554168512.db2.gz VVJXLMKIJQSLRA-UHFFFAOYSA-N -1 1 533.572 5.363 50 0 KKAAMM CN1CCN(C(=O)c2ccc(NCc3ccccc3Cl)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000098049712 554168562 /nfs/dbraw/zinc/16/85/62/554168562.db2.gz WWIRUGXKIDTBCB-UHFFFAOYSA-N -1 1 567.033 5.159 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000100426077 554387407 /nfs/dbraw/zinc/38/74/07/554387407.db2.gz OFIJUARJFSFIDT-FWUCURJTSA-N -1 1 538.600 6.197 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(-c4nc(-c5ccc(OC)c(OC)c5)no4)c(C)c3c2)cc1 ZINC000064775171 554515404 /nfs/dbraw/zinc/51/54/04/554515404.db2.gz KDKWACYYOOCOLW-UHFFFAOYSA-N -1 1 521.551 5.285 50 0 KKAAMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2cccc(OCCCC)c2)c1 ZINC000100984814 554548217 /nfs/dbraw/zinc/54/82/17/554548217.db2.gz XODXVCMYQYXBTC-UHFFFAOYSA-N -1 1 582.744 6.799 50 0 KKAAMM O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000101093044 554583272 /nfs/dbraw/zinc/58/32/72/554583272.db2.gz WEOXQOFJGWZODR-RUZDIDTESA-N -1 1 531.410 5.558 50 0 KKAAMM CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000101193947 554671485 /nfs/dbraw/zinc/67/14/85/554671485.db2.gz DLYNJURBUZENLF-QODLHPCFSA-N -1 1 534.999 6.179 50 0 KKAAMM O=C(c1ccccc1Cl)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101202396 554672933 /nfs/dbraw/zinc/67/29/33/554672933.db2.gz QOMVAARPVKCEBK-ANOKCIKSSA-N -1 1 520.972 5.789 50 0 KKAAMM CCOc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)[N-]c5ccc(OC)cc5)cc4c3C)n2)cc1OC ZINC000101276061 554702937 /nfs/dbraw/zinc/70/29/37/554702937.db2.gz WFBGZWZWJRVDEA-UHFFFAOYSA-N -1 1 535.578 5.675 50 0 KKAAMM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1c1nc([O-])c(CC(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000101289658 554707259 /nfs/dbraw/zinc/70/72/59/554707259.db2.gz SBKLYPZNLNQWBO-LADGPHEKSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000101289886 554707411 /nfs/dbraw/zinc/70/74/11/554707411.db2.gz NCAFUCPLMYBKIO-NOZRDPDXSA-N -1 1 549.052 5.535 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccccc1Cl ZINC000101289958 554707425 /nfs/dbraw/zinc/70/74/25/554707425.db2.gz BFLVVILVZAIFCP-DHIUTWEWSA-N -1 1 524.980 5.796 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290568 554708017 /nfs/dbraw/zinc/70/80/17/554708017.db2.gz AVWVHAJHJGIQTO-IZZNHLLZSA-N -1 1 547.080 6.225 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])cc1 ZINC000101290577 554708029 /nfs/dbraw/zinc/70/80/29/554708029.db2.gz AVWVHAJHJGIQTO-FTJBHMTQSA-N -1 1 547.080 6.225 50 0 KKAAMM O=C(CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1)NCc1ccccc1Br ZINC000101291142 554708311 /nfs/dbraw/zinc/70/83/11/554708311.db2.gz HVLVITFGGQZAJY-UHFFFAOYSA-N -1 1 542.480 5.081 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1OC ZINC000101292926 554709531 /nfs/dbraw/zinc/70/95/31/554709531.db2.gz VQSAHIXOYIKBJM-SQHAQQRYSA-N -1 1 560.651 5.638 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)nc2[O-])cc1OC ZINC000101293125 554709851 /nfs/dbraw/zinc/70/98/51/554709851.db2.gz IPXIODQXOAPILR-BVAGGSTKSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101294227 554710798 /nfs/dbraw/zinc/71/07/98/554710798.db2.gz WSVPDDWHYMXBEP-BJKOFHAPSA-N -1 1 555.006 5.805 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(SC)c3)s2)cc1 ZINC000101294728 554711499 /nfs/dbraw/zinc/71/14/99/554711499.db2.gz LTPDFAAPIOOMGI-CLJLJLNGSA-N -1 1 544.702 5.903 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)nc2[O-])c1 ZINC000101295417 554711990 /nfs/dbraw/zinc/71/19/90/554711990.db2.gz VQUOJSBYKPCSNN-AOYPEHQESA-N -1 1 528.634 5.190 50 0 KKAAMM COc1ccc(OC)c(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])c1 ZINC000101295413 554712053 /nfs/dbraw/zinc/71/20/53/554712053.db2.gz VQUOJSBYKPCSNN-AZGAKELHSA-N -1 1 528.634 5.190 50 0 KKAAMM CCOC(=O)c1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)nc2[O-])cc1 ZINC000101295384 554712102 /nfs/dbraw/zinc/71/21/02/554712102.db2.gz GGTFMWKOCGVXAN-UIOOFZCWSA-N -1 1 540.645 5.350 50 0 KKAAMM COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000101397514 554758738 /nfs/dbraw/zinc/75/87/38/554758738.db2.gz KDPSBXQDVQVWFS-UGDMGKLASA-N -1 1 554.599 5.897 50 0 KKAAMM Cc1ccc(C)c(Cn2c(C(=O)NCC(C)C)cc3cc([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc32)c1 ZINC000101860523 554844316 /nfs/dbraw/zinc/84/43/16/554844316.db2.gz BEDSRNGOTUXXMS-UHFFFAOYSA-N -1 1 545.749 6.791 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(F)c4)s3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969446 554855009 /nfs/dbraw/zinc/85/50/09/554855009.db2.gz IMMPRSQPOFUWDA-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccccc4F)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101969484 554855023 /nfs/dbraw/zinc/85/50/23/554855023.db2.gz MCCMHWJIUNUHHY-BJKOFHAPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101969589 554855405 /nfs/dbraw/zinc/85/54/05/554855405.db2.gz ZNCUKPAKIUWSAC-JWQCQUIFSA-N -1 1 532.597 5.021 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101969535 554855415 /nfs/dbraw/zinc/85/54/15/554855415.db2.gz RSSHAMFVPJXSIX-UIOOFZCWSA-N -1 1 530.625 5.629 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(OC)c4)s3)[C@@H](c3ccccc3F)C2)cc1 ZINC000101969710 554855661 /nfs/dbraw/zinc/85/56/61/554855661.db2.gz UREJJXNRGWLPDH-RPBOFIJWSA-N -1 1 532.597 5.021 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101970105 554856488 /nfs/dbraw/zinc/85/64/88/554856488.db2.gz UWZMNSWPGXJLMG-DQEYMECFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101970113 554856521 /nfs/dbraw/zinc/85/65/21/554856521.db2.gz UWZMNSWPGXJLMG-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(Cl)c3)s2)cc1 ZINC000101970115 554856612 /nfs/dbraw/zinc/85/66/12/554856612.db2.gz UWZMNSWPGXJLMG-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM Cc1cc(C)cc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101970482 554857097 /nfs/dbraw/zinc/85/70/97/554857097.db2.gz VQZJXGYKSJXBQI-JWQCQUIFSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101970523 554857278 /nfs/dbraw/zinc/85/72/78/554857278.db2.gz ZTSOOVRLQIWOJI-LOSJGSFVSA-N -1 1 532.597 5.021 50 0 KKAAMM O=C(Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-])Nc1ccc(F)cc1 ZINC000101970666 554857593 /nfs/dbraw/zinc/85/75/93/554857593.db2.gz VVIRWRCIEQOSDZ-PKTZIBPZSA-N -1 1 524.980 5.796 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(C)cc2)nc1[O-] ZINC000101970640 554857733 /nfs/dbraw/zinc/85/77/33/554857733.db2.gz NNJSOKDIPMQVES-UKILVPOCSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3ccc(F)cc3)nc2[O-])c1 ZINC000101970737 554857831 /nfs/dbraw/zinc/85/78/31/554857831.db2.gz VVDJODOZUYQODX-RPWUZVMVSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000101970796 554857838 /nfs/dbraw/zinc/85/78/38/554857838.db2.gz YXGHMHRVTDYHRF-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)nc1[O-] ZINC000101970747 554857898 /nfs/dbraw/zinc/85/78/98/554857898.db2.gz JFHLJJGBSNPWMI-ISKFKSNPSA-N -1 1 537.016 5.666 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(OC)c3)s2)cc1 ZINC000101970807 554857914 /nfs/dbraw/zinc/85/79/14/554857914.db2.gz WEHUZGZTLFZWDJ-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970949 554858181 /nfs/dbraw/zinc/85/81/81/554858181.db2.gz FNTNPYNXFVNEJR-XNMGPUDCSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(OC)c(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)cc4)s3)[C@@H](c3ccc(C)cc3)C2)c1 ZINC000101970940 554858423 /nfs/dbraw/zinc/85/84/23/554858423.db2.gz FNTNPYNXFVNEJR-VPUSJEBWSA-N -1 1 542.661 5.499 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101971235 554859010 /nfs/dbraw/zinc/85/90/10/554859010.db2.gz GCVJHGHIPVSJPA-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(C)c4)s3)[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000101971485 554859313 /nfs/dbraw/zinc/85/93/13/554859313.db2.gz ZTEJRTNBLKJYBB-UIOOFZCWSA-N -1 1 531.081 6.443 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)cc1 ZINC000101971627 554859487 /nfs/dbraw/zinc/85/94/87/554859487.db2.gz GIJNQDOGXXAOBN-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3cccc(Cl)c3)nc2[O-])c1 ZINC000101971527 554859524 /nfs/dbraw/zinc/85/95/24/554859524.db2.gz DFPVCQGIBMIMJT-LOSJGSFVSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(C)cc3)C[C@@H]2c2cccc(Cl)c2)nc1[O-] ZINC000101971562 554859575 /nfs/dbraw/zinc/85/95/75/554859575.db2.gz ZXZONAMRQRSPIY-ILBGXUMGSA-N -1 1 533.053 5.835 50 0 KKAAMM CCc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972063 554860079 /nfs/dbraw/zinc/86/00/79/554860079.db2.gz VOUDDNJPKMXAMR-BVAGGSTKSA-N -1 1 526.618 5.156 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972306 554860083 /nfs/dbraw/zinc/86/00/83/554860083.db2.gz XDPSRVAQCZFMPU-UIOOFZCWSA-N -1 1 546.624 5.329 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000101972277 554860092 /nfs/dbraw/zinc/86/00/92/554860092.db2.gz OXVVRSQYHCBNEG-LOSJGSFVSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101972409 554860322 /nfs/dbraw/zinc/86/03/22/554860322.db2.gz KQJYWWKMNQCTHH-DQEYMECFSA-N -1 1 534.588 5.460 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101972731 554860964 /nfs/dbraw/zinc/86/09/64/554860964.db2.gz VUPNUZRKOARYND-SXOMAYOGSA-N -1 1 542.661 5.580 50 0 KKAAMM CCOc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(C)cc4)C[C@H]3c3ccc(OC)cc3)nc2[O-])cc1 ZINC000101972719 554861027 /nfs/dbraw/zinc/86/10/27/554861027.db2.gz VUPNUZRKOARYND-RRPNLBNLSA-N -1 1 542.661 5.580 50 0 KKAAMM COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000101972710 554861064 /nfs/dbraw/zinc/86/10/64/554861064.db2.gz FWODGPONXMSNCE-LOSJGSFVSA-N -1 1 534.588 5.460 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(F)c(F)c4)s3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101972792 554861239 /nfs/dbraw/zinc/86/12/39/554861239.db2.gz CBZNJFSLALCPLU-DNQXCXABSA-N -1 1 522.552 5.590 50 0 KKAAMM Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc4c(c3)OCO4)s2)cc1 ZINC000101972881 554861358 /nfs/dbraw/zinc/86/13/58/554861358.db2.gz JECXYYWWAGTLLY-WIOPSUGQSA-N -1 1 530.581 5.041 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(C)c(F)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101972808 554861418 /nfs/dbraw/zinc/86/14/18/554861418.db2.gz ZVXCKPAFIDYZPR-LOSJGSFVSA-N -1 1 535.044 6.274 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(OC)c3)nc2[O-])cc1 ZINC000101973166 554861727 /nfs/dbraw/zinc/86/17/27/554861727.db2.gz RPQQMJOTYWJDCC-RPBOFIJWSA-N -1 1 549.052 5.535 50 0 KKAAMM COc1cccc(NC(=O)Cc2sc(N3N=C(c4ccc(Cl)cc4)C[C@@H]3c3cccc(C)c3)nc2[O-])c1 ZINC000101973276 554861996 /nfs/dbraw/zinc/86/19/96/554861996.db2.gz IMUZEJHIUHOSQC-RPBOFIJWSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccccc1NC(=O)Cc1sc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc(C)c2)nc1[O-] ZINC000101973288 554862034 /nfs/dbraw/zinc/86/20/34/554862034.db2.gz CHCHUPPQHKUGGD-ZCYQVOJMSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4ccc(Cl)cc4)s3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101973409 554862285 /nfs/dbraw/zinc/86/22/85/554862285.db2.gz ATLRYIAFWLEYIU-DQEYMECFSA-N -1 1 533.053 5.835 50 0 KKAAMM COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(C)c(F)c3)s2)cc1 ZINC000101973498 554862346 /nfs/dbraw/zinc/86/23/46/554862346.db2.gz AKSBMUZPEGOFFP-RPBOFIJWSA-N -1 1 534.588 5.460 50 0 KKAAMM COc1ccc(NC(=O)Cc2sc(N3N=C(c4cccc(OC)c4)C[C@H]3c3ccc(Cl)cc3)nc2[O-])cc1 ZINC000101973578 554862613 /nfs/dbraw/zinc/86/26/13/554862613.db2.gz ASTDXYDNUJTRTG-DQEYMECFSA-N -1 1 549.052 5.535 50 0 KKAAMM O=C(Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000102043070 554870076 /nfs/dbraw/zinc/87/00/76/554870076.db2.gz DMJIVOAACVKYCF-HOTGVXAUSA-N -1 1 531.783 5.246 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1)c1cccc(Cl)c1 ZINC000102278562 554906489 /nfs/dbraw/zinc/90/64/89/554906489.db2.gz ZUTKCYVUBBHFEH-UHFFFAOYSA-N -1 1 526.405 5.756 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3)cc2)cc1Cl ZINC000102278589 554906491 /nfs/dbraw/zinc/90/64/91/554906491.db2.gz YEJRNPHFJZUXAS-UHFFFAOYSA-N -1 1 540.432 6.064 50 0 KKAAMM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1)c1ccc(F)c(Cl)c1 ZINC000102278626 554906543 /nfs/dbraw/zinc/90/65/43/554906543.db2.gz HDHNERWKKJLPKX-UHFFFAOYSA-N -1 1 527.940 5.381 50 0 KKAAMM CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c(Br)c(Br)c1[O-] ZINC000102594969 554975898 /nfs/dbraw/zinc/97/58/98/554975898.db2.gz QZZFVYZGISEXOH-GIGQVBGESA-N -1 1 558.336 6.383 50 0 KKAAMM COc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2NCCc2ccc(Cl)cc2)c1 ZINC000102730241 555023576 /nfs/dbraw/zinc/02/35/76/555023576.db2.gz BQMFJONIUVEGKI-UHFFFAOYSA-N -1 1 605.160 5.766 50 0 KKAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102760128 555052227 /nfs/dbraw/zinc/05/22/27/555052227.db2.gz KWKZEBNITZMECM-JFHPUIQFSA-N -1 1 534.612 6.024 50 0 KKAAMM O=C(NCCC1=CCCCC1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000102770662 555058075 /nfs/dbraw/zinc/05/80/75/555058075.db2.gz QOCLGCKWRULZLG-NOZRDPDXSA-N -1 1 607.176 5.547 50 0 KKAAMM Cc1ccc(C2=NN(c3nc([O-])c(CC(=O)Nc4cccc(Cl)c4)s3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000102810530 555074832 /nfs/dbraw/zinc/07/48/32/555074832.db2.gz CFPPSDJENQZNDT-ZEQRLZLVSA-N -1 1 537.472 6.480 50 0 KKAAMM CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCC(=O)[O-])[C@H]3c2ccncc2)cc1 ZINC000102882325 555110764 /nfs/dbraw/zinc/11/07/64/555110764.db2.gz NPJQNJOFBIHDAY-UVDDSOTQSA-N -1 1 523.633 6.794 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3sc4cc(OC)ccc4c3Cl)ccc2N2CCCC2)cc1 ZINC000102925899 555150227 /nfs/dbraw/zinc/15/02/27/555150227.db2.gz SOQCDVFYKMEOPK-UHFFFAOYSA-N -1 1 572.108 6.225 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)ccc2N2CCCC2)cc1 ZINC000102972444 555182288 /nfs/dbraw/zinc/18/22/88/555182288.db2.gz KBPHYFNNQLDJAX-UHFFFAOYSA-N -1 1 540.494 5.504 50 0 KKAAMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Br)cc2)c1=O)c1cccc(O)c1 ZINC000102974872 555184706 /nfs/dbraw/zinc/18/47/06/555184706.db2.gz XVVLDQBZPZZEGV-ZEQRLZLVSA-N -1 1 610.306 6.079 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3Cc3ccccc3)c2)cc1 ZINC000102996594 555196258 /nfs/dbraw/zinc/19/62/58/555196258.db2.gz VHSDLBRYSUEMFR-UHFFFAOYSA-N -1 1 613.765 6.150 50 0 KKAAMM O=C(Nc1ccc(I)cc1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000102999538 555199317 /nfs/dbraw/zinc/19/93/17/555199317.db2.gz BCIHEPIUQPDMPN-UHFFFAOYSA-N -1 1 557.207 5.107 50 0 KKAAMM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)[N-]c4cccc(Cl)c4)c3)C2=O)cc1C ZINC000103000660 555200560 /nfs/dbraw/zinc/20/05/60/555200560.db2.gz PRWMUZAAPOLJFY-VEILYXNESA-N -1 1 558.059 6.398 50 0 KKAAMM O=C(Nc1ccc(Br)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000103034877 555222312 /nfs/dbraw/zinc/22/23/12/555222312.db2.gz WDEBXNBXYIIBMW-IBGZPJMESA-N -1 1 528.255 5.284 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccc3OCCOc3ccccc3)ccc2N2CCCC2)cc1 ZINC000103049458 555231538 /nfs/dbraw/zinc/23/15/38/555231538.db2.gz PXMVTNQSHQQTRU-UHFFFAOYSA-N -1 1 587.698 5.806 50 0 KKAAMM O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1)c1ccc2c(c1)OCO2 ZINC000103049761 555232031 /nfs/dbraw/zinc/23/20/31/555232031.db2.gz AHFFVOXKJKRYHM-UHFFFAOYSA-N -1 1 533.528 5.087 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3coc4cc(C)c(C)cc34)ccc2N2CCCCC2)cc1 ZINC000103050202 555232710 /nfs/dbraw/zinc/23/27/10/555232710.db2.gz TXJMCTHLIQNFPW-UHFFFAOYSA-N -1 1 547.677 6.031 50 0 KKAAMM O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)s1 ZINC000103102258 555279722 /nfs/dbraw/zinc/27/97/22/555279722.db2.gz KEVZKPIDBHKXHV-UHFFFAOYSA-N -1 1 514.806 5.005 50 0 KKAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc1Cl ZINC000103309869 555357809 /nfs/dbraw/zinc/35/78/09/555357809.db2.gz CZJZSVPGESYOKD-UHFFFAOYSA-N -1 1 524.996 5.185 50 0 KKAAMM COc1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C2=O)cc1 ZINC000103382788 555372418 /nfs/dbraw/zinc/37/24/18/555372418.db2.gz HRYFXMDUFHEIIR-UHFFFAOYSA-N -1 1 589.670 5.933 50 0 KKAAMM Cc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000103397025 555382739 /nfs/dbraw/zinc/38/27/39/555382739.db2.gz SECAACDSIZKSPQ-UHFFFAOYSA-N -1 1 577.659 5.821 50 0 KKAAMM O=C1C(Nc2ccc(Br)cc2)=C(Sc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C(=O)N1c1ccccc1 ZINC000103428276 555410706 /nfs/dbraw/zinc/41/07/06/555410706.db2.gz MWFPBOGXYIOWMD-UHFFFAOYSA-N -1 1 606.523 6.239 50 0 KKAAMM COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000103700504 555463872 /nfs/dbraw/zinc/46/38/72/555463872.db2.gz JYCMPKMWBRSSKY-NTUHNPAUSA-N -1 1 578.076 5.925 50 0 KKAAMM O=c1cc(CSc2ccc(Cl)cc2)nc(Sc2c(=O)[nH]c3ccc(-c4ccccc4Cl)cc3c2Cl)[n-]1 ZINC000136666678 571449642 /nfs/dbraw/zinc/44/96/42/571449642.db2.gz UVJQQNUFJWLAIC-UHFFFAOYSA-N -1 1 572.926 8.094 50 0 KKAAMM CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CCC(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000150401119 571478148 /nfs/dbraw/zinc/47/81/48/571478148.db2.gz SHPIGDPVWONVNK-IMSFFZSHSA-N -1 1 665.186 9.041 50 0 KKAAMM CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000150407917 571480338 /nfs/dbraw/zinc/48/03/38/571480338.db2.gz NMPGSACNVWHWRL-QHCPKHFHSA-N -1 1 648.807 5.734 50 0 KKAAMM O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000150409850 571482273 /nfs/dbraw/zinc/48/22/73/571482273.db2.gz PTQIQNYSLQAYFK-UHFFFAOYSA-N -1 1 683.112 6.496 50 0 KKAAMM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)Nc4cccc(Cl)c4)c(Cl)cc3Cl)cc2)c1C ZINC000150421898 571487896 /nfs/dbraw/zinc/48/78/96/571487896.db2.gz FNCSNXFXOLELSC-UHFFFAOYSA-N -1 1 629.931 6.106 50 0 KKAAMM COc1ccc(NC2=C(Sc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C(=O)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000150425777 571490058 /nfs/dbraw/zinc/49/00/58/571490058.db2.gz MWRGJSJGRZTEAM-UHFFFAOYSA-N -1 1 626.112 5.736 50 0 KKAAMM O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000150435961 571496034 /nfs/dbraw/zinc/49/60/34/571496034.db2.gz TYUXCYQISDOILE-PXJZQJOASA-N -1 1 701.687 6.130 50 0 KKAAMM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)ccc2N2CCOCC2)cc1 ZINC000150438760 571497000 /nfs/dbraw/zinc/49/70/00/571497000.db2.gz KEHSYZQADAINSQ-UHFFFAOYSA-N -1 1 639.734 5.446 50 0 KKAAMM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1 ZINC000170626722 571563091 /nfs/dbraw/zinc/56/30/91/571563091.db2.gz XISNTCKUGHOXHS-LBPRGKRZSA-N -1 1 550.316 7.220 50 0 KKAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OCc5ccccn5)cc3)CC(=O)O4)c2=O)cc1OC ZINC000263585571 572119015 /nfs/dbraw/zinc/11/90/15/572119015.db2.gz KEADQWTZOMHHRW-QFIPXVFZSA-N -1 1 551.551 5.598 50 0 KKAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(OCc3ccccn3)cc2)cc1OC ZINC000263585571 572119016 /nfs/dbraw/zinc/11/90/16/572119016.db2.gz KEADQWTZOMHHRW-QFIPXVFZSA-N -1 1 551.551 5.598 50 0 KKAAMM COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229887905 572165227 /nfs/dbraw/zinc/16/52/27/572165227.db2.gz MUNOBNJSMWTBIM-HICIQRJKSA-N -1 1 564.682 5.991 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(=O)c6c([O-])cc(-c7ccccc7)oc-6c5)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 ZINC000253387807 572282795 /nfs/dbraw/zinc/28/27/95/572282795.db2.gz TVGNSDOGCLLGGR-ADXKLQOGSA-N -1 1 694.953 10.888 50 0 KKAAMM CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc([O-])c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]2(C)C1 ZINC000253387807 572282797 /nfs/dbraw/zinc/28/27/97/572282797.db2.gz TVGNSDOGCLLGGR-ADXKLQOGSA-N -1 1 694.953 10.888 50 0 KKAAMM COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)c(=O)c2c1 ZINC000253406665 572286424 /nfs/dbraw/zinc/28/64/24/572286424.db2.gz JCCKJZNRNFDHDV-MRXNPFEDSA-N -1 1 516.889 5.375 50 0 KKAAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1OC ZINC000253413468 572288539 /nfs/dbraw/zinc/28/85/39/572288539.db2.gz UVYZOFJZRXIVHO-INIZCTEOSA-N -1 1 508.910 5.286 50 0 KKAAMM COc1ccc2nc(N3CCOCC3)c([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253414060 572288695 /nfs/dbraw/zinc/28/86/95/572288695.db2.gz WIRSKEVYAYYJDP-OAQYLSRUSA-N -1 1 585.012 5.653 50 0 KKAAMM COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000253623842 572301816 /nfs/dbraw/zinc/30/18/16/572301816.db2.gz QACIDWKQFYUGDF-KRWDZBQOSA-N -1 1 515.905 5.522 50 0 KKAAMM