smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2-c2ccccc2)cc1 ZINC000409191134 1069797982 /nfs/dbraw/zinc/79/79/82/1069797982.db2.gz SYBROIRWVNSYHB-OFWBYEQRSA-N -1 1 641.705 6.518 40 10 KKCBMM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1Cl ZINC000408781059 1069905249 /nfs/dbraw/zinc/90/52/49/1069905249.db2.gz QWIGERDNTANWAG-UKTHLTGXSA-N -1 1 521.765 5.436 40 10 KKCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000408858523 1070070179 /nfs/dbraw/zinc/07/01/79/1070070179.db2.gz PTGNTTZXPUJOQN-CXUHLZMHSA-N -1 1 636.307 5.873 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409381532 1070898905 /nfs/dbraw/zinc/89/89/05/1070898905.db2.gz HTZGPZGINBUHQX-FYJGNVAPSA-N -1 1 520.994 5.011 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387378 1070909025 /nfs/dbraw/zinc/90/90/25/1070909025.db2.gz WFVGRDMABHDIMK-YBFXNURJSA-N -1 1 584.517 5.326 40 10 KKCBMM O=C1/C(=C\c2cc(I)cc(I)c2[O-])SC(=S)N1c1ccccc1 ZINC000408718220 1071509719 /nfs/dbraw/zinc/50/97/19/1071509719.db2.gz CBYSEQYUJBHESF-NTUHNPAUSA-N -1 1 565.195 5.007 40 10 KKCBMM COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408992761 1071571110 /nfs/dbraw/zinc/57/11/10/1071571110.db2.gz BQWWXVSUQKKVKE-VXLYETTFSA-N -1 1 740.313 5.013 40 10 KKCBMM Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5SC(=S)[N-]C5=O)cc4[N+](=O)[O-])sc3c2)cc1 ZINC000408988772 1071602666 /nfs/dbraw/zinc/60/26/66/1071602666.db2.gz FVJXRSZPDIMIII-NHDPSOOVSA-N -1 1 564.695 6.405 40 10 KKCBMM O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)c([O-])c1 ZINC000408738481 1071608882 /nfs/dbraw/zinc/60/88/82/1071608882.db2.gz ZCAYJPJGJXYSMC-SFQUDFHCSA-N -1 1 508.788 8.084 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409013509 1071679290 /nfs/dbraw/zinc/67/92/90/1071679290.db2.gz NOQYJWNLYNREGX-UHFFFAOYSA-N -1 1 610.667 6.173 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409023983 1071713724 /nfs/dbraw/zinc/71/37/24/1071713724.db2.gz GHCBAYJHJJOCNL-UHFFFAOYSA-N -1 1 635.120 7.538 40 10 KKCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000408775175 1071756858 /nfs/dbraw/zinc/75/68/58/1071756858.db2.gz FLXXJBRFZWJEOE-YBFXNURJSA-N -1 1 677.314 5.471 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000408778786 1071834517 /nfs/dbraw/zinc/83/45/17/1071834517.db2.gz KRPIYZRYWKOLJR-RQZCQDPDSA-N -1 1 653.281 5.707 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409138337 1072570450 /nfs/dbraw/zinc/57/04/50/1072570450.db2.gz ADRWFOPTYPXKIR-SRZZPIQSSA-N -1 1 613.450 5.730 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409148725 1072640542 /nfs/dbraw/zinc/64/05/42/1072640542.db2.gz QVZGYFBTKRBKEK-YDZHTSKRSA-N -1 1 714.509 5.427 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)[O-])CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000409384313 1072700292 /nfs/dbraw/zinc/70/02/92/1072700292.db2.gz ATNKZVRUZAABHH-KGENOOAVSA-N -1 1 533.675 5.126 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409380099 1072720497 /nfs/dbraw/zinc/72/04/97/1072720497.db2.gz HOWAWHVMFUIJSQ-LPYMAVHISA-N -1 1 656.498 5.361 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000409400827 1072784838 /nfs/dbraw/zinc/78/48/38/1072784838.db2.gz UNOYYZNFELZASQ-SWKFRHMKSA-N -1 1 553.618 6.449 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409196138 1072834135 /nfs/dbraw/zinc/83/41/35/1072834135.db2.gz XFKWBWMRYGECCD-WKULSOCRSA-N -1 1 579.722 6.091 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000409190458 1072868741 /nfs/dbraw/zinc/86/87/41/1072868741.db2.gz NXBZDNGXINOCKX-WGOQTCKBSA-N -1 1 569.614 5.342 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc54)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409190072 1072872047 /nfs/dbraw/zinc/87/20/47/1072872047.db2.gz VRTHTFCZVLMARI-WGOQTCKBSA-N -1 1 531.593 5.372 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409257033 1073157794 /nfs/dbraw/zinc/15/77/94/1073157794.db2.gz NMSMHHNGQTYVPR-TVPGTPATSA-N -1 1 548.267 5.271 40 10 KKCBMM O=c1c(C=Nc2ccc(Oc3ccc(Br)cc3)cc2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100057192 554196791 /nfs/dbraw/zinc/19/67/91/554196791.db2.gz BIQHTOAIGXBUOM-MOSHPQCFSA-N -1 1 547.287 6.411 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000058849128 554368233 /nfs/dbraw/zinc/36/82/33/554368233.db2.gz SZEZQHYXWASCDP-BALWLHIASA-N -1 1 506.624 5.730 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000058848925 554368322 /nfs/dbraw/zinc/36/83/22/554368322.db2.gz ZGZAVFULRREYDB-ATLLOTDBSA-N -1 1 511.987 5.884 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058849100 554368332 /nfs/dbraw/zinc/36/83/32/554368332.db2.gz YJVUCKBRRNQBLP-DFXHWTJYSA-N -1 1 515.462 7.019 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c(OC)c1 ZINC000058849310 554368723 /nfs/dbraw/zinc/36/87/23/554368723.db2.gz JTBTWMDGEIOLCM-ANSQWYIGSA-N -1 1 507.568 5.239 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849815 554369394 /nfs/dbraw/zinc/36/93/94/554369394.db2.gz QPYPOWPHGDEFMU-CTVOUCONSA-N -1 1 504.652 6.418 40 10 KKCBMM CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850039 554369734 /nfs/dbraw/zinc/36/97/34/554369734.db2.gz BSJWPVFMTHYDDB-CLCZQPDDSA-N -1 1 503.624 6.520 40 10 KKCBMM CCN1C(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000059087107 554372096 /nfs/dbraw/zinc/37/20/96/554372096.db2.gz CBOKBOQSQPASEZ-XDHOZWIPSA-N -1 1 512.429 5.278 40 10 KKCBMM CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000059087106 554372150 /nfs/dbraw/zinc/37/21/50/554372150.db2.gz RZVPWJWBIXLNHI-UDWIEESQSA-N -1 1 512.429 5.278 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)c(OCc2ccccc2F)c(Br)c1 ZINC000059418008 554393877 /nfs/dbraw/zinc/39/38/77/554393877.db2.gz GKLGCCGBDVRXJP-VGOFMYFVSA-N -1 1 503.212 5.419 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000103852654 571365648 /nfs/dbraw/zinc/36/56/48/571365648.db2.gz HRVXIQQVNWOUIJ-WOJGMQOQSA-N -1 1 599.434 5.095 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000104214245 571376965 /nfs/dbraw/zinc/37/69/65/571376965.db2.gz BTNCTWUHNXFUEN-JYZWDBKKSA-N -1 1 508.581 6.030 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c(OC)c1 ZINC000104649518 571383013 /nfs/dbraw/zinc/38/30/13/571383013.db2.gz UOOAGZANEBHOBQ-WNGDZKDKSA-N -1 1 585.476 5.822 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c(OC)c1 ZINC000104649455 571383037 /nfs/dbraw/zinc/38/30/37/571383037.db2.gz JRVWECCOFWTUQY-LZCXECNNSA-N -1 1 541.467 6.094 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c(OC)c1 ZINC000104649459 571383043 /nfs/dbraw/zinc/38/30/43/571383043.db2.gz BXSNLEDBLRGZRM-DFXHWTJYSA-N -1 1 531.461 6.638 40 10 KKCBMM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000104650158 571383114 /nfs/dbraw/zinc/38/31/14/571383114.db2.gz OVGADXHRLLCINI-WZOHSFFVSA-N -1 1 522.539 5.139 40 10 KKCBMM COc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3[O-])SC2=S)cc1 ZINC000105668275 571408129 /nfs/dbraw/zinc/40/81/29/571408129.db2.gz HFQWLEVVDHEPEC-VGOFMYFVSA-N -1 1 595.221 5.016 40 10 KKCBMM COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)c(Br)c1[O-] ZINC000113830634 571442441 /nfs/dbraw/zinc/44/24/41/571442441.db2.gz QDWSZBOTJAUENB-WUXMJOGZSA-N -1 1 546.218 5.240 40 10 KKCBMM Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000150368288 571465409 /nfs/dbraw/zinc/46/54/09/571465409.db2.gz AXFHOEHARHKREM-QNVXDBMFSA-N -1 1 656.827 7.488 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164480566 571548862 /nfs/dbraw/zinc/54/88/62/571548862.db2.gz LILWVPCMAWLGRZ-YBFXNURJSA-N -1 1 663.287 5.162 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1[N-]S(C)(=O)=O ZINC000225478405 571848531 /nfs/dbraw/zinc/84/85/31/571848531.db2.gz BFBSIXBWZUYCQO-CONSDPRKSA-N -1 1 597.766 6.200 40 10 KKCBMM CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225479689 571849992 /nfs/dbraw/zinc/84/99/92/571849992.db2.gz PLNPUKWOWVJSRQ-URLMMPGGSA-N -1 1 575.760 5.609 40 10 KKCBMM CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225479653 571850119 /nfs/dbraw/zinc/85/01/19/571850119.db2.gz PLNPUKWOWVJSRQ-WDYNHAJCSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480635 571850930 /nfs/dbraw/zinc/85/09/30/571850930.db2.gz CJKAGEXRZTWZGL-KAYWLYCHSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481128 571851719 /nfs/dbraw/zinc/85/17/19/571851719.db2.gz CVAKFCNPKGDOKI-RRPNLBNLSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225481352 571852085 /nfs/dbraw/zinc/85/20/85/571852085.db2.gz QWNLWHCGFCZXEB-IZLXSDGUSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482390 571853091 /nfs/dbraw/zinc/85/30/91/571853091.db2.gz LRNNRJIHCSSAAB-SVBPBHIXSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482866 571853475 /nfs/dbraw/zinc/85/34/75/571853475.db2.gz HMUUOZCLKOQRAM-WDYNHAJCSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483038 571853532 /nfs/dbraw/zinc/85/35/32/571853532.db2.gz QNBPRBMNFPNRAZ-LMSSTIIKSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482713 571853572 /nfs/dbraw/zinc/85/35/72/571853572.db2.gz QWEWETRRFBASCD-WDYNHAJCSA-N -1 1 575.760 5.663 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000263593869 572127229 /nfs/dbraw/zinc/12/72/29/572127229.db2.gz BTNCTWUHNXFUEN-GVNXJGQYSA-N -1 1 508.581 6.030 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539280 572201525 /nfs/dbraw/zinc/20/15/25/572201525.db2.gz VCCUVMUXFFNJGC-UHFFFAOYSA-N -1 1 550.995 5.045 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539280 572201527 /nfs/dbraw/zinc/20/15/27/572201527.db2.gz VCCUVMUXFFNJGC-UHFFFAOYSA-N -1 1 550.995 5.045 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539789 572203392 /nfs/dbraw/zinc/20/33/92/572203392.db2.gz JSCOUXSIJMLGFE-YDZHTSKRSA-N -1 1 546.497 7.039 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408541440 572209008 /nfs/dbraw/zinc/20/90/08/572209008.db2.gz ZOASTALRHHAIFW-MFKUBSTISA-N -1 1 556.105 6.784 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)[O-])n2)c1 ZINC000408631825 572288016 /nfs/dbraw/zinc/28/80/16/572288016.db2.gz GQHJRCSGHNQJLS-UUYOSTAYSA-N -1 1 602.454 5.719 40 10 KKCBMM Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1C(=O)[O-] ZINC000408859141 1070080642 /nfs/dbraw/zinc/08/06/42/1070080642.db2.gz WTQSREUXRIFBIA-XNTDXEJSSA-N -1 1 501.347 5.091 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1Cl ZINC000408891127 1070134028 /nfs/dbraw/zinc/13/40/28/1070134028.db2.gz LYHQFLUNLVBKQK-SXGWCWSVSA-N -1 1 531.824 5.411 40 10 KKCBMM O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408926212 1070238253 /nfs/dbraw/zinc/23/82/53/1070238253.db2.gz WEKUGMAZMMJZGZ-ONUIUJJFSA-N -1 1 545.645 6.672 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408995335 1070363520 /nfs/dbraw/zinc/36/35/20/1070363520.db2.gz MKFITXXREWAURN-CTVOUCONSA-N -1 1 534.703 6.125 40 10 KKCBMM O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408993154 1070368022 /nfs/dbraw/zinc/36/80/22/1070368022.db2.gz UXGMSLHLRDYAAH-UHFFFAOYSA-N -1 1 596.071 5.176 40 10 KKCBMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409026717 1070411007 /nfs/dbraw/zinc/41/10/07/1070411007.db2.gz WAARUUBRKFZPHA-UHFFFAOYSA-N -1 1 621.093 7.147 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409187674 1070596257 /nfs/dbraw/zinc/59/62/57/1070596257.db2.gz AOQKORNZYUZMHM-USHMODERSA-N -1 1 648.538 7.103 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000409333171 1070837792 /nfs/dbraw/zinc/83/77/92/1070837792.db2.gz CNOFDVKRDUYVJX-SXDGJLEOSA-N -1 1 520.676 5.817 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)[N-]C1=S ZINC000408913001 1071020802 /nfs/dbraw/zinc/02/08/02/1071020802.db2.gz JLSKWPNTCCDGMG-RQZCQDPDSA-N -1 1 515.816 5.091 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000408952339 1071345069 /nfs/dbraw/zinc/34/50/69/1071345069.db2.gz KCDHJLIUHITFML-UHFFFAOYSA-N -1 1 636.730 6.433 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408993705 1071563899 /nfs/dbraw/zinc/56/38/99/1071563899.db2.gz FBXBKUPGYXWFIW-GIJQJNRQSA-N -1 1 744.732 5.658 40 10 KKCBMM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)[N-]C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408992289 1071574246 /nfs/dbraw/zinc/57/42/46/1071574246.db2.gz RGLIWLXUMCRUKA-JMIUGGIZSA-N -1 1 585.113 6.750 40 10 KKCBMM O=C(Nc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1Cl ZINC000408989522 1071596989 /nfs/dbraw/zinc/59/69/89/1071596989.db2.gz HZIVYWZWHBVNTM-UHFFFAOYSA-N -1 1 596.071 5.176 40 10 KKCBMM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000408756456 1071638245 /nfs/dbraw/zinc/63/82/45/1071638245.db2.gz ZMNIWWNYEKEQFK-NTEUORMPSA-N -1 1 521.765 5.436 40 10 KKCBMM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)c1 ZINC000408760685 1071695782 /nfs/dbraw/zinc/69/57/82/1071695782.db2.gz DBRYXBFLGJKWSY-UKTHLTGXSA-N -1 1 521.765 5.436 40 10 KKCBMM CCN1C(=O)/C(=C\c2cc(OC)c([O-])c(Br)c2Br)C(=O)N(c2ccc(Cl)cc2)C1=S ZINC000409020716 1071725764 /nfs/dbraw/zinc/72/57/64/1071725764.db2.gz SJCPUORAMFJMHI-MDWZMJQESA-N -1 1 574.678 5.143 40 10 KKCBMM Cc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409368678 1072664296 /nfs/dbraw/zinc/66/42/96/1072664296.db2.gz HMTDJZRQNILEKT-UHFFFAOYSA-N -1 1 650.739 8.658 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409378813 1072673026 /nfs/dbraw/zinc/67/30/26/1072673026.db2.gz RYKGRDMAVJJVLM-LPYMAVHISA-N -1 1 565.047 5.410 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000409384258 1072699797 /nfs/dbraw/zinc/69/97/97/1072699797.db2.gz CAORKCDAWLRWIL-LPYMAVHISA-N -1 1 565.047 5.410 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000409381624 1072710789 /nfs/dbraw/zinc/71/07/89/1072710789.db2.gz IESMTDGDMQQASN-LPYMAVHISA-N -1 1 656.498 5.361 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409399243 1072750151 /nfs/dbraw/zinc/75/01/51/1072750151.db2.gz GUNZYWQPKQJFNS-YSMPRRRNSA-N -1 1 532.427 6.441 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409191113 1072865409 /nfs/dbraw/zinc/86/54/09/1072865409.db2.gz SMHOBWNNMSOIJA-YDZHTSKRSA-N -1 1 623.058 5.475 40 10 KKCBMM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000409244262 1073089532 /nfs/dbraw/zinc/08/95/32/1073089532.db2.gz AHOUGDNBDPRFSS-MHWRWJLKSA-N -1 1 520.872 5.148 40 10 KKCBMM COC(c1ccccc1)(c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004773098 552481494 /nfs/dbraw/zinc/48/14/94/552481494.db2.gz WCQCDEJHUUSWBX-UHFFFAOYSA-N -1 1 584.719 6.227 40 10 KKCBMM CCOc1ccc(N2C(=O)C(=N[N-]c3ccccc3Cl)C(=O)N(c3ccc(Br)cc3)C2=S)cc1 ZINC000005639567 552505747 /nfs/dbraw/zinc/50/57/47/552505747.db2.gz VTXWFPZTURPBJI-BYYHNAKLSA-N -1 1 557.857 7.293 40 10 KKCBMM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Br)ccc2[O-])c(OC)c1 ZINC000019326066 553613455 /nfs/dbraw/zinc/61/34/55/553613455.db2.gz DXROHRZZIVFDKW-UHFFFAOYSA-N -1 1 557.485 5.596 40 10 KKCBMM Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000096476767 553754769 /nfs/dbraw/zinc/75/47/69/553754769.db2.gz GRULHIJSYZFBDK-HZHRSRAPSA-N -1 1 501.608 5.761 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100231535 554257302 /nfs/dbraw/zinc/25/73/02/554257302.db2.gz OFALITODOMYNLP-FRKPEAEDSA-N -1 1 519.269 6.222 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c(OC)c1 ZINC000058849321 554368703 /nfs/dbraw/zinc/36/87/03/554368703.db2.gz AKIWQVLTCGYNST-LZCXECNNSA-N -1 1 507.568 5.239 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000103851705 571365159 /nfs/dbraw/zinc/36/51/59/571365159.db2.gz JEWRWAVIZGAOGA-CXUHLZMHSA-N -1 1 589.826 5.350 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000104649909 571383196 /nfs/dbraw/zinc/38/31/96/571383196.db2.gz DKIOSZHDLMCPLH-ANSQWYIGSA-N -1 1 526.014 6.193 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164395544 571546996 /nfs/dbraw/zinc/54/69/96/571546996.db2.gz OZGUIHBRAQVLNW-CXUHLZMHSA-N -1 1 681.277 5.301 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc2I)cc1 ZINC000164480689 571548871 /nfs/dbraw/zinc/54/88/71/571548871.db2.gz FRCMKANNDPLQPJ-GIJQJNRQSA-N -1 1 789.183 5.767 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1[N-]S(C)(=O)=O ZINC000225473171 571843061 /nfs/dbraw/zinc/84/30/61/571843061.db2.gz NHUXYZFWZYHOEJ-SVBPBHIXSA-N -1 1 563.749 5.271 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225475934 571846258 /nfs/dbraw/zinc/84/62/58/571846258.db2.gz AKDGOTFRWSOPQY-SXOMAYOGSA-N -1 1 598.150 5.405 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478877 571849142 /nfs/dbraw/zinc/84/91/42/571849142.db2.gz AGAVMSARTKQLHK-SVBPBHIXSA-N -1 1 547.706 5.046 40 10 KKCBMM CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225479873 571850106 /nfs/dbraw/zinc/85/01/06/571850106.db2.gz OEMINCLPDDPBPH-VMPREFPWSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479993 571850570 /nfs/dbraw/zinc/85/05/70/571850570.db2.gz OGXYUAWNXVASAT-RRPNLBNLSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225481421 571852087 /nfs/dbraw/zinc/85/20/87/571852087.db2.gz QWNLWHCGFCZXEB-NSOVKSMOSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482526 571853025 /nfs/dbraw/zinc/85/30/25/571853025.db2.gz IANCWMBVDAAYKJ-SVBPBHIXSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483393 571853678 /nfs/dbraw/zinc/85/36/78/571853678.db2.gz QUYQFUIKLBKFMG-PQHLKRTFSA-N -1 1 589.787 5.972 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483432 571854294 /nfs/dbraw/zinc/85/42/94/571854294.db2.gz WRJKGWUDXRZEOX-NSOVKSMOSA-N -1 1 596.178 6.008 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000263593870 572127241 /nfs/dbraw/zinc/12/72/41/572127241.db2.gz BTNCTWUHNXFUEN-RUELLGKTSA-N -1 1 508.581 6.030 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000408530470 572171813 /nfs/dbraw/zinc/17/18/13/572171813.db2.gz LXSGINYLGTUPOP-NSIKDUERSA-N -1 1 519.667 5.933 40 10 KKCBMM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)ccc1Cl ZINC000408531031 572174538 /nfs/dbraw/zinc/17/45/38/572174538.db2.gz KEVWWSGLVKUHIP-XYGWBWBKSA-N -1 1 504.030 6.313 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408531417 572175437 /nfs/dbraw/zinc/17/54/37/572175437.db2.gz PUZWJIKRHHIKMI-NSIKDUERSA-N -1 1 582.319 5.508 40 10 KKCBMM CCCCOC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3C)c2=O)ccc1Cl ZINC000408535871 572189696 /nfs/dbraw/zinc/18/96/96/572189696.db2.gz UHLRCNOTDVLYSE-UYRXBGFRSA-N -1 1 504.812 6.086 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408537138 572193286 /nfs/dbraw/zinc/19/32/86/572193286.db2.gz ZGTZOKWFEZTILB-HMAPJEAMSA-N -1 1 618.351 6.348 40 10 KKCBMM CCOc1cc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408538797 572199660 /nfs/dbraw/zinc/19/96/60/572199660.db2.gz BUVKZZTVZTZERN-MFKUBSTISA-N -1 1 507.633 5.741 40 10 KKCBMM COc1cc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539336 572201376 /nfs/dbraw/zinc/20/13/76/572201376.db2.gz GUVFIWMCRRUPPJ-WSDLNYQXSA-N -1 1 621.372 6.867 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539684 572202852 /nfs/dbraw/zinc/20/28/52/572202852.db2.gz XZXXNBBIFLFDAP-UHFFFAOYSA-N -1 1 611.514 5.319 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[O-])n1 ZINC000408631243 572287281 /nfs/dbraw/zinc/28/72/81/572287281.db2.gz GUFNHKZPHCNCLB-NKVSQWTQSA-N -1 1 549.867 7.066 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)[O-])n2)c1 ZINC000408633582 572290298 /nfs/dbraw/zinc/29/02/98/572290298.db2.gz NZKGVJBDHLRTNH-YVNNLAQVSA-N -1 1 545.448 6.421 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c2C)cc1 ZINC000408635332 572292475 /nfs/dbraw/zinc/29/24/75/572292475.db2.gz ZKJQLCXQUZCERM-HMAPJEAMSA-N -1 1 523.014 5.927 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000408881265 1070123516 /nfs/dbraw/zinc/12/35/16/1070123516.db2.gz KKQLFSKPXMRONH-AUWJEWJLSA-N -1 1 519.667 5.933 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccccc2F)c1 ZINC000408947235 1070310910 /nfs/dbraw/zinc/31/09/10/1070310910.db2.gz AWZLQBGGJYZORR-UHFFFAOYSA-N -1 1 574.612 6.625 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409129616 1070556652 /nfs/dbraw/zinc/55/66/52/1070556652.db2.gz UXVOIZLEJILKOG-WSDLNYQXSA-N -1 1 653.482 5.194 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409398388 1070912632 /nfs/dbraw/zinc/91/26/32/1070912632.db2.gz AHEDLLPDQBWRBM-PKAZHMFMSA-N -1 1 541.007 5.226 40 10 KKCBMM O=C1/C(=C/c2cc(Br)cc(I)c2[O-])SC(=S)N1c1ccccc1 ZINC000408900945 1070926059 /nfs/dbraw/zinc/92/60/59/1070926059.db2.gz AKIXSRXYRMDBSD-QPEQYQDCSA-N -1 1 518.195 5.165 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)[N-]C1=S ZINC000408909308 1070977653 /nfs/dbraw/zinc/97/76/53/1070977653.db2.gz GHICFXNZYISKSC-NYYWCZLTSA-N -1 1 534.646 5.245 40 10 KKCBMM CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408997415 1071664899 /nfs/dbraw/zinc/66/48/99/1071664899.db2.gz OKNBHTXJHULMKM-RGVLZGJSSA-N -1 1 754.340 5.403 40 10 KKCBMM CCCN1C(=O)/C(=C\c2cc(OCC)c([O-])c(Br)c2Br)C(=O)N(c2ccccc2)C1=S ZINC000409018930 1071730875 /nfs/dbraw/zinc/73/08/75/1071730875.db2.gz ZCAVRHQOCDCNMN-RVDMUPIBSA-N -1 1 568.287 5.270 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000409066137 1072004547 /nfs/dbraw/zinc/00/45/47/1072004547.db2.gz KAZREOBVGHCCJQ-UHFFFAOYSA-N -1 1 577.084 7.499 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000409340084 1072470660 /nfs/dbraw/zinc/47/06/60/1072470660.db2.gz QEZXJSOHMBSNQA-PXNMLYILSA-N -1 1 519.269 6.222 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409387732 1072741671 /nfs/dbraw/zinc/74/16/71/1072741671.db2.gz PVYPBQUGYNSXJU-FYJGNVAPSA-N -1 1 565.445 5.120 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc([N+](=O)[O-])c([O-])cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185731 1072769361 /nfs/dbraw/zinc/76/93/61/1072769361.db2.gz PEMXNIUJMDDTIA-GGVRFBKHSA-N -1 1 624.675 5.399 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409400903 1072783256 /nfs/dbraw/zinc/78/32/56/1072783256.db2.gz UYGXVEZPHRYAIQ-PKAZHMFMSA-N -1 1 542.433 5.897 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc([O-])c(Br)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409182243 1072792890 /nfs/dbraw/zinc/79/28/90/1072792890.db2.gz JVNDRENTSMQKDQ-OURMJXGFSA-N -1 1 642.575 6.548 40 10 KKCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409196590 1072829833 /nfs/dbraw/zinc/82/98/33/1072829833.db2.gz WNDRSJITDPZBFQ-ONUIUJJFSA-N -1 1 521.598 5.291 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409195129 1072838030 /nfs/dbraw/zinc/83/80/30/1072838030.db2.gz RKWOYYSYMWCCOK-WSDLNYQXSA-N -1 1 716.379 6.338 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409193763 1072848762 /nfs/dbraw/zinc/84/87/62/1072848762.db2.gz LNDRCLJWUADLFD-OEAKJJBVSA-N -1 1 593.032 5.467 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409189379 1072877337 /nfs/dbraw/zinc/87/73/37/1072877337.db2.gz KJPLQASNLXIGMT-KOEQRZSOSA-N -1 1 624.744 5.816 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409188873 1072879961 /nfs/dbraw/zinc/87/99/61/1072879961.db2.gz BISKCFPAOLYYJT-ZVHZXABRSA-N -1 1 681.536 5.975 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409188643 1072882079 /nfs/dbraw/zinc/88/20/79/1072882079.db2.gz IVZSRWWNGSARAH-JVWAILMASA-N -1 1 586.069 5.856 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C ZINC000409234092 1073053010 /nfs/dbraw/zinc/05/30/10/1073053010.db2.gz LTWFGNXFXSJDLE-IUXPMGMMSA-N -1 1 588.876 5.158 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409242418 1073097710 /nfs/dbraw/zinc/09/77/10/1073097710.db2.gz UTQCGUZYNMJHRV-DJKKODMXSA-N -1 1 528.417 5.239 40 10 KKCBMM CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000096585907 553756323 /nfs/dbraw/zinc/75/63/23/553756323.db2.gz FAYZIRFQRGNERG-HMAPJEAMSA-N -1 1 516.575 5.206 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c(OC)c1 ZINC000058849328 554368798 /nfs/dbraw/zinc/36/87/98/554368798.db2.gz KLUHPUPGEUUORI-ASHZAFPQSA-N -1 1 506.580 5.060 40 10 KKCBMM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)ccc1O ZINC000100922857 554522919 /nfs/dbraw/zinc/52/29/19/554522919.db2.gz PKGCHEPSVUZENS-UXRUFTSHSA-N -1 1 520.593 5.446 40 10 KKCBMM CC(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 ZINC000103921230 571369726 /nfs/dbraw/zinc/36/97/26/571369726.db2.gz KYDJWOGFWWKRAG-XHPQRKPJSA-N -1 1 566.668 5.629 40 10 KKCBMM CC(=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921230 571369727 /nfs/dbraw/zinc/36/97/27/571369727.db2.gz KYDJWOGFWWKRAG-XHPQRKPJSA-N -1 1 566.668 5.629 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649160 571382870 /nfs/dbraw/zinc/38/28/70/571382870.db2.gz XXKCQBLCSZFGJJ-WNGDZKDKSA-N -1 1 569.477 6.204 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649970 571383164 /nfs/dbraw/zinc/38/31/64/571383164.db2.gz NQUWEWORTHRBHA-WNGDZKDKSA-N -1 1 569.477 6.122 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225475999 571846048 /nfs/dbraw/zinc/84/60/48/571846048.db2.gz AKDGOTFRWSOPQY-KAYWLYCHSA-N -1 1 598.150 5.405 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478987 571849043 /nfs/dbraw/zinc/84/90/43/571849043.db2.gz AGAVMSARTKQLHK-KAYWLYCHSA-N -1 1 547.706 5.046 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480080 571850540 /nfs/dbraw/zinc/85/05/40/571850540.db2.gz PXSAYYACWBEFRP-SVBPBHIXSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480269 571850575 /nfs/dbraw/zinc/85/05/75/571850575.db2.gz UNWVDXGBZWTDFM-SXOMAYOGSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1[N-]S(C)(=O)=O ZINC000225480909 571851268 /nfs/dbraw/zinc/85/12/68/571851268.db2.gz ZATDXNXITKEFNI-RRPNLBNLSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481108 571851706 /nfs/dbraw/zinc/85/17/06/571851706.db2.gz CVAKFCNPKGDOKI-SXOMAYOGSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225481464 571852105 /nfs/dbraw/zinc/85/21/05/571852105.db2.gz NIOAVDBXIOKFDZ-VSGBNLITSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225482105 571852542 /nfs/dbraw/zinc/85/25/42/571852542.db2.gz DTIUMPALDFIDPV-WDYNHAJCSA-N -1 1 590.775 5.112 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482785 571853535 /nfs/dbraw/zinc/85/35/35/571853535.db2.gz QWEWETRRFBASCD-FQLXRVMXSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482623 571853640 /nfs/dbraw/zinc/85/36/40/571853640.db2.gz IANCWMBVDAAYKJ-KAYWLYCHSA-N -1 1 616.596 6.353 40 10 KKCBMM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225484499 571855388 /nfs/dbraw/zinc/85/53/88/571855388.db2.gz NHXQNUMZSNQJML-PQHLKRTFSA-N -1 1 589.787 5.917 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1F ZINC000408532908 572181459 /nfs/dbraw/zinc/18/14/59/572181459.db2.gz WTSVKFPERJBLDC-NSIKDUERSA-N -1 1 503.212 5.419 40 10 KKCBMM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000408537016 572193258 /nfs/dbraw/zinc/19/32/58/572193258.db2.gz BUZLYRNYDPQHRS-QXPFVDMISA-N -1 1 590.768 8.249 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)[O-])n2)c1 ZINC000408632838 572289444 /nfs/dbraw/zinc/28/94/44/572289444.db2.gz KRVOKGIJRWCSNO-UUYOSTAYSA-N -1 1 521.555 5.022 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C(=O)[O-])n1 ZINC000408633077 572289729 /nfs/dbraw/zinc/28/97/29/572289729.db2.gz VSIHPMWSGHKAMC-UUYOSTAYSA-N -1 1 509.031 6.376 40 10 KKCBMM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])c2C)c1C ZINC000408634987 572292055 /nfs/dbraw/zinc/29/20/55/572292055.db2.gz WDRUDVONXLCXEE-LPYMAVHISA-N -1 1 523.014 5.845 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000408776849 1069886547 /nfs/dbraw/zinc/88/65/47/1069886547.db2.gz RDWLBMQVLGOUPE-VXLYETTFSA-N -1 1 663.287 5.162 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408881826 1070125171 /nfs/dbraw/zinc/12/51/71/1070125171.db2.gz MTEZSYWMEQENLL-WQRHYEAKSA-N -1 1 500.395 5.319 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000409400912 1070915627 /nfs/dbraw/zinc/91/56/27/1070915627.db2.gz VBRREHFBNWDCAP-YSMPRRRNSA-N -1 1 621.329 6.660 40 10 KKCBMM CN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000408913481 1071018673 /nfs/dbraw/zinc/01/86/73/1071018673.db2.gz VCGDBWSIYAHMSQ-KQWNVCNZSA-N -1 1 542.458 5.830 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408966051 1071411067 /nfs/dbraw/zinc/41/10/67/1071411067.db2.gz LEOXYTSRAVJGGS-CAOOACKPSA-N -1 1 532.380 5.070 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991681 1071579223 /nfs/dbraw/zinc/57/92/23/1071579223.db2.gz OWGYVLZLEQYCCT-TYHHXOOKSA-N -1 1 582.710 5.524 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000408753930 1071653898 /nfs/dbraw/zinc/65/38/98/1071653898.db2.gz OQEOGAGCAALAAW-ODLFYWEKSA-N -1 1 533.412 5.521 40 10 KKCBMM O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc([O-])c(Br)c3)SC2=S)c1 ZINC000409098090 1072333816 /nfs/dbraw/zinc/33/38/16/1072333816.db2.gz PHQDIWQSIPXBLQ-RGVLZGJSSA-N -1 1 529.412 5.952 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000409377519 1072679496 /nfs/dbraw/zinc/67/94/96/1072679496.db2.gz HRJPSSQMJMCFOX-HYARGMPZSA-N -1 1 565.445 5.120 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409385269 1072693908 /nfs/dbraw/zinc/69/39/08/1072693908.db2.gz HDEZAFSIERWTRQ-CIAFOILYSA-N -1 1 551.020 5.020 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384942 1072695241 /nfs/dbraw/zinc/69/52/41/1072695241.db2.gz GXBLBIVQVUDLNU-FYJGNVAPSA-N -1 1 533.675 5.181 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c([O-])c(OC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185880 1072767664 /nfs/dbraw/zinc/76/76/64/1072767664.db2.gz RWHPIOCWACOIHQ-QICITKFESA-N -1 1 628.150 6.447 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409245195 1073086047 /nfs/dbraw/zinc/08/60/47/1073086047.db2.gz OUMGDZSFHJXACQ-WSDLNYQXSA-N -1 1 522.026 5.400 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000409242154 1073097875 /nfs/dbraw/zinc/09/78/75/1073097875.db2.gz NABVXEGPXZZGRV-OEAKJJBVSA-N -1 1 501.608 5.055 40 10 KKCBMM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1Cl ZINC000409249754 1073139789 /nfs/dbraw/zinc/13/97/89/1073139789.db2.gz OJHVKOCEDFALPU-MHWRWJLKSA-N -1 1 520.872 5.148 40 10 KKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(I)c(C)c1 ZINC000409264105 1073214302 /nfs/dbraw/zinc/21/43/02/1073214302.db2.gz KYTBGXMSMUSSAO-UHFFFAOYSA-N -1 1 515.420 6.263 40 10 KKCBMM [O-]c1ccc(Br)cc1-c1nc2cc3ccccc3cc2nc1-c1cc(Br)ccc1O ZINC000001704221 551689944 /nfs/dbraw/zinc/68/99/44/551689944.db2.gz JMEWVNXFHAYSGL-UHFFFAOYSA-N -1 1 522.196 7.053 40 10 KKCBMM O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccc(Br)cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000002159309 551780524 /nfs/dbraw/zinc/78/05/24/551780524.db2.gz HKZXBMSCRIHBMY-GDBHHJMHSA-N -1 1 599.369 7.427 40 10 KKCBMM Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000033794019 553974107 /nfs/dbraw/zinc/97/41/07/553974107.db2.gz UKGCIIPCEOXMPX-RGVLZGJSSA-N -1 1 507.999 5.734 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1Cl ZINC000100324131 554308285 /nfs/dbraw/zinc/30/82/85/554308285.db2.gz PIYDUKIFKNXSPQ-NVNXTCNLSA-N -1 1 517.797 5.021 40 10 KKCBMM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000058849014 554368442 /nfs/dbraw/zinc/36/84/42/554368442.db2.gz JHNSHHHUIGSWNI-DKGMKSHISA-N -1 1 520.651 6.120 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 ZINC000058849142 554368713 /nfs/dbraw/zinc/36/87/13/554368713.db2.gz JHBIFVPCMIHUOE-OREGWCPLSA-N -1 1 504.608 5.499 40 10 KKCBMM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849305 554368779 /nfs/dbraw/zinc/36/87/79/554368779.db2.gz XSORSJQQHCGZAG-OREGWCPLSA-N -1 1 520.607 5.118 40 10 KKCBMM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000058849672 554369144 /nfs/dbraw/zinc/36/91/44/554369144.db2.gz MMPACELKWFSOIP-WZOHSFFVSA-N -1 1 510.999 5.674 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000058850298 554369692 /nfs/dbraw/zinc/36/96/92/554369692.db2.gz QMCGUZIETMWCNB-ATLLOTDBSA-N -1 1 511.441 6.085 40 10 KKCBMM CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000059105031 554380077 /nfs/dbraw/zinc/38/00/77/554380077.db2.gz UXCFQUNHCVAEGP-PXLXIMEGSA-N -1 1 502.548 5.034 40 10 KKCBMM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000059198597 554385014 /nfs/dbraw/zinc/38/50/14/554385014.db2.gz UVOOKTDPDRCIFJ-WOJGMQOQSA-N -1 1 511.353 5.387 40 10 KKCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2cccc(Br)c2)cc1 ZINC000020289017 571360614 /nfs/dbraw/zinc/36/06/14/571360614.db2.gz FHNMGDWPQWGSOH-JCMHNJIXSA-N -1 1 507.344 5.503 40 10 KKCBMM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O ZINC000103842706 571362532 /nfs/dbraw/zinc/36/25/32/571362532.db2.gz FUNGKMYLWAOSRL-ZVBGSRNCSA-N -1 1 555.856 5.942 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 ZINC000104649042 571382818 /nfs/dbraw/zinc/38/28/18/571382818.db2.gz PLUZAOZFOWNRAM-ZDXGUKGBSA-N -1 1 555.450 5.814 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000150343391 571458914 /nfs/dbraw/zinc/45/89/14/571458914.db2.gz DZUONIVZXUTMNV-RGVLZGJSSA-N -1 1 738.341 5.567 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2I)cc1 ZINC000164399266 571547161 /nfs/dbraw/zinc/54/71/61/571547161.db2.gz GHYHXPQJJWJUDC-CXUHLZMHSA-N -1 1 728.277 5.143 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225479100 571849134 /nfs/dbraw/zinc/84/91/34/571849134.db2.gz HGOKHUGEUDXCQC-WUFINQPMSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479186 571849394 /nfs/dbraw/zinc/84/93/94/571849394.db2.gz HQYHRACHLYSKDD-NSOVKSMOSA-N -1 1 561.733 5.355 40 10 KKCBMM CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225479725 571850129 /nfs/dbraw/zinc/85/01/29/571850129.db2.gz PLNPUKWOWVJSRQ-VMPREFPWSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225480385 571850528 /nfs/dbraw/zinc/85/05/28/571850528.db2.gz HFOKWAXTEUPALK-SVBPBHIXSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1[N-]S(C)(=O)=O ZINC000225480830 571851252 /nfs/dbraw/zinc/85/12/52/571851252.db2.gz ZATDXNXITKEFNI-SVBPBHIXSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225481325 571852139 /nfs/dbraw/zinc/85/21/39/571852139.db2.gz QWNLWHCGFCZXEB-VSGBNLITSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482557 571853160 /nfs/dbraw/zinc/85/31/60/571853160.db2.gz IANCWMBVDAAYKJ-SXOMAYOGSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483999 571854705 /nfs/dbraw/zinc/85/47/05/571854705.db2.gz CZBJOAHOZPGQIY-VSGBNLITSA-N -1 1 596.178 6.008 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484240 571854749 /nfs/dbraw/zinc/85/47/49/571854749.db2.gz XJCNDSVGQGMRMR-IZLXSDGUSA-N -1 1 612.177 5.708 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408531731 572176887 /nfs/dbraw/zinc/17/68/87/572176887.db2.gz QGCFZHQQOVKVBD-NSIKDUERSA-N -1 1 519.667 5.933 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccccc1I ZINC000408536964 572192763 /nfs/dbraw/zinc/19/27/63/572192763.db2.gz YMMREBMKMAKYMV-UVTDQMKNSA-N -1 1 510.173 5.389 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408539604 572202906 /nfs/dbraw/zinc/20/29/06/572202906.db2.gz IOLLFOJYJPYRKX-WGOQTCKBSA-N -1 1 521.660 6.131 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550126 572233347 /nfs/dbraw/zinc/23/33/47/572233347.db2.gz BSXBJCFYFBBMAS-FRKPEAEDSA-N -1 1 609.294 5.503 40 10 KKCBMM O=C(COc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408550719 572234609 /nfs/dbraw/zinc/23/46/09/572234609.db2.gz GVIHXJYBZLYNJV-LHHJGKSTSA-N -1 1 597.137 6.025 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(C)c(I)c4)c3C)C(=O)[O-])n2)c1 ZINC000408633399 572290038 /nfs/dbraw/zinc/29/00/38/572290038.db2.gz MUJRWNBIXKQQRN-KSEXSDGBSA-N -1 1 616.481 6.027 40 10 KKCBMM CCN(c1ccccc1)S(=O)(=O)c1ccccc1/N=N/c1c(N)ccc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC000100049798 1069695599 /nfs/dbraw/zinc/69/55/99/1069695599.db2.gz RJZLMBIYRSBCDQ-CYYJNZCTSA-N -1 1 526.596 5.005 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408859107 1070080487 /nfs/dbraw/zinc/08/04/87/1070080487.db2.gz SSVROALBDWPYKX-GZTJUZNOSA-N -1 1 528.417 5.239 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl ZINC000408965573 1070330891 /nfs/dbraw/zinc/33/08/91/1070330891.db2.gz IXOBPCGNADCFMN-LZYBPNLTSA-N -1 1 532.380 5.070 40 10 KKCBMM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000409098835 1070532239 /nfs/dbraw/zinc/53/22/39/1070532239.db2.gz QPWZTUUYOAEBJT-XNTDXEJSSA-N -1 1 501.347 5.091 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1 ZINC000409332954 1070837724 /nfs/dbraw/zinc/83/77/24/1070837724.db2.gz SRKIARIWRCOLSB-NSIKDUERSA-N -1 1 505.293 5.657 40 10 KKCBMM Cc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)N(c5ccc(Br)cc5)C4=O)o3)[nH]c2c1 ZINC000408964054 1071420081 /nfs/dbraw/zinc/42/00/81/1071420081.db2.gz FLVSFYVPTRXVFT-LFIBNONCSA-N -1 1 523.368 5.044 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccc(Br)cc2)c1 ZINC000408984718 1071508306 /nfs/dbraw/zinc/50/83/06/1071508306.db2.gz JOJPEXZLGDJUJF-UHFFFAOYSA-N -1 1 635.518 7.248 40 10 KKCBMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408997434 1071663246 /nfs/dbraw/zinc/66/32/46/1071663246.db2.gz OONAOMMKQFPHBN-UHFFFAOYSA-N -1 1 595.096 5.020 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Br)c1[O-] ZINC000409014283 1071676694 /nfs/dbraw/zinc/67/66/94/1071676694.db2.gz WWGJQPBYGIBHTA-NTEUORMPSA-N -1 1 588.705 5.533 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2c(F)cccc2F)cc1 ZINC000409013788 1071677842 /nfs/dbraw/zinc/67/78/42/1071677842.db2.gz VNWCDCVOUOSSNF-UHFFFAOYSA-N -1 1 592.602 6.764 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408772946 1071770608 /nfs/dbraw/zinc/77/06/08/1071770608.db2.gz NQVIEAIGSWWMCH-VXLYETTFSA-N -1 1 618.836 5.053 40 10 KKCBMM CCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000409333445 1072353803 /nfs/dbraw/zinc/35/38/03/1072353803.db2.gz HCWSWWJWFYFHNH-UHFFFAOYSA-N -1 1 580.729 7.624 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409124651 1072464845 /nfs/dbraw/zinc/46/48/45/1072464845.db2.gz KAOJCXBBINBKJO-SRZZPIQSSA-N -1 1 702.352 5.948 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OC ZINC000409139455 1072565142 /nfs/dbraw/zinc/56/51/42/1072565142.db2.gz AXAUPAGDQYOMCY-LPYMAVHISA-N -1 1 623.456 5.186 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409400475 1072745794 /nfs/dbraw/zinc/74/57/94/1072745794.db2.gz RQRSLDQSIBCTBX-IWIPYMOSSA-N -1 1 562.504 6.275 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409184222 1072778663 /nfs/dbraw/zinc/77/86/63/1072778663.db2.gz FUWSRVIOWZRDEO-RGAWFTBRSA-N -1 1 751.497 7.319 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409194959 1072840663 /nfs/dbraw/zinc/84/06/63/1072840663.db2.gz RKTISEQDFZTEOF-UDWIEESQSA-N -1 1 550.423 5.526 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OCC ZINC000409191496 1072861905 /nfs/dbraw/zinc/86/19/05/1072861905.db2.gz XLAZYISKCBXUIJ-WSDLNYQXSA-N -1 1 627.477 6.120 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409191269 1072863944 /nfs/dbraw/zinc/86/39/44/1072863944.db2.gz FUHVZFLOVIBHCP-LFVJCYFKSA-N -1 1 637.483 5.576 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409253826 1073177595 /nfs/dbraw/zinc/17/75/95/1073177595.db2.gz VNEXJJCWKWHTNX-MFOYZWKCSA-N -1 1 541.876 5.316 40 10 KKCBMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2Cl)c1 ZINC000002590364 1073200486 /nfs/dbraw/zinc/20/04/86/1073200486.db2.gz XISNPTZRKCCEDL-OEAKJJBVSA-N -1 1 504.036 6.672 40 10 KKCBMM CC(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000020288343 553633393 /nfs/dbraw/zinc/63/33/93/553633393.db2.gz CBHJSOAZKKYYAX-QOMWVZHYSA-N -1 1 509.591 5.019 40 10 KKCBMM CC(=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000020288343 553633398 /nfs/dbraw/zinc/63/33/98/553633398.db2.gz CBHJSOAZKKYYAX-QOMWVZHYSA-N -1 1 509.591 5.019 40 10 KKCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccccc2-c2ccccc2)cc1 ZINC000020289105 553634199 /nfs/dbraw/zinc/63/41/99/553634199.db2.gz UAKZVWFXYFRYOG-RRAHZORUSA-N -1 1 504.546 6.407 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c(OC)c1 ZINC000058849281 554368896 /nfs/dbraw/zinc/36/88/96/554368896.db2.gz REBSZSUTISWFAO-GTNJKRJXSA-N -1 1 522.623 5.348 40 10 KKCBMM COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1OC ZINC000058850014 554369382 /nfs/dbraw/zinc/36/93/82/554369382.db2.gz XGPVRKRMBZLYMJ-DFIYOIEZSA-N -1 1 507.568 5.239 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058849752 554369482 /nfs/dbraw/zinc/36/94/82/554369482.db2.gz BXJVUADXOMWXIT-DFXHWTJYSA-N -1 1 515.462 6.938 40 10 KKCBMM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058849772 554369528 /nfs/dbraw/zinc/36/95/28/554369528.db2.gz SUWVGBXGCRXQTP-GTNJKRJXSA-N -1 1 506.624 5.648 40 10 KKCBMM O=C(CSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1)c1ccc([O-])c(O)c1 ZINC000059417612 554393491 /nfs/dbraw/zinc/39/34/91/554393491.db2.gz ZAUIIZREEFIIBA-UHFFFAOYSA-N -1 1 512.568 5.636 40 10 KKCBMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100931053 554527136 /nfs/dbraw/zinc/52/71/36/554527136.db2.gz URXGSABCTBZLLV-HYARGMPZSA-N -1 1 501.395 5.513 40 10 KKCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103793176 555481531 /nfs/dbraw/zinc/48/15/31/555481531.db2.gz TVQMNDFNQKUEQW-VCHYOVAHSA-N -1 1 557.411 5.111 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Cl)cc1 ZINC000103851841 571365186 /nfs/dbraw/zinc/36/51/86/571365186.db2.gz OJWSOKCZMUGZAV-CXUHLZMHSA-N -1 1 545.375 5.241 40 10 KKCBMM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000103919113 571369582 /nfs/dbraw/zinc/36/95/82/571369582.db2.gz XIVDEVYTQPJQNW-QJOMJCCJSA-N -1 1 547.666 5.084 40 10 KKCBMM COC(=O)[C@H](Cc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183529 571376188 /nfs/dbraw/zinc/37/61/88/571376188.db2.gz AJOHJTTUNAQXBF-UATQVVCCSA-N -1 1 577.237 5.986 40 10 KKCBMM COc1ccc(OC)c(N=Nc2cc(OC)c(NN=C3C(=O)Nc4ccccc4C3=O)cc2Cc2ccccc2C(=O)[O-])c1 ZINC000104389561 571380038 /nfs/dbraw/zinc/38/00/38/571380038.db2.gz KXSHAHXSXGJWAQ-UPMDAWFBSA-N -1 1 593.596 7.792 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649083 571382866 /nfs/dbraw/zinc/38/28/66/571382866.db2.gz SCVBZAYNPJWCOH-LZCXECNNSA-N -1 1 525.468 6.475 40 10 KKCBMM COc1ccc(Br)cc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2[C@H]2C=CC[C@H]21 ZINC000104650151 571383154 /nfs/dbraw/zinc/38/31/54/571383154.db2.gz UEMMHBBNEIOOML-DFIYOIEZSA-N -1 1 556.438 5.993 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1 ZINC000104650084 571383208 /nfs/dbraw/zinc/38/32/08/571383208.db2.gz CZDXMMNQUZBYPI-XLNZFTOWSA-N -1 1 516.406 6.529 40 10 KKCBMM Cc1cccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3[O-])C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000150387477 571470115 /nfs/dbraw/zinc/47/01/15/571470115.db2.gz RNRCZNAALDEARG-HYARGMPZSA-N -1 1 700.270 6.646 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479958 571850588 /nfs/dbraw/zinc/85/05/88/571850588.db2.gz OGXYUAWNXVASAT-SXOMAYOGSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480342 571850592 /nfs/dbraw/zinc/85/05/92/571850592.db2.gz UNWVDXGBZWTDFM-KAYWLYCHSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482453 571853186 /nfs/dbraw/zinc/85/31/86/571853186.db2.gz LRNNRJIHCSSAAB-RRPNLBNLSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483009 571853612 /nfs/dbraw/zinc/85/36/12/571853612.db2.gz QNBPRBMNFPNRAZ-PXJZQJOASA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483378 571853700 /nfs/dbraw/zinc/85/37/00/571853700.db2.gz QUYQFUIKLBKFMG-DGPALRBDSA-N -1 1 589.787 5.972 40 10 KKCBMM CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225484576 571855317 /nfs/dbraw/zinc/85/53/17/571855317.db2.gz NHXQNUMZSNQJML-MFMCTBQISA-N -1 1 589.787 5.917 40 10 KKCBMM CCOc1cc(COc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000408540276 572205075 /nfs/dbraw/zinc/20/50/75/572205075.db2.gz PMDPAICXYXYIEB-ZVHZXABRSA-N -1 1 556.503 6.495 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)[O-])n2)c1 ZINC000408634668 572291697 /nfs/dbraw/zinc/29/16/97/572291697.db2.gz WHCAYFDHUPXQGM-QRVIBDJDSA-N -1 1 504.612 5.731 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408817508 1069974726 /nfs/dbraw/zinc/97/47/26/1069974726.db2.gz LSUYDSSWLQNHLJ-DJKKODMXSA-N -1 1 558.841 5.040 40 10 KKCBMM Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1C ZINC000409003266 1070384628 /nfs/dbraw/zinc/38/46/28/1070384628.db2.gz YYLSSBHCEJGHDX-VXLYETTFSA-N -1 1 738.341 5.621 40 10 KKCBMM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000408902004 1070914570 /nfs/dbraw/zinc/91/45/70/1070914570.db2.gz JSLSKTQGERYDMO-XYOKQWHBSA-N -1 1 501.221 5.332 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccccc1C ZINC000408923447 1071086804 /nfs/dbraw/zinc/08/68/04/1071086804.db2.gz INRRZUJCADUNSY-YVLHZVERSA-N -1 1 511.406 5.066 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995249 1071553114 /nfs/dbraw/zinc/55/31/14/1071553114.db2.gz LMGUJEUGNBTFEQ-CTVOUCONSA-N -1 1 534.703 6.207 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c(C)c1 ZINC000408994123 1071559971 /nfs/dbraw/zinc/55/99/71/1071559971.db2.gz GHSJEXXDIUOVND-VXLYETTFSA-N -1 1 738.341 5.621 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccccc2C)cc1 ZINC000409025045 1071709462 /nfs/dbraw/zinc/70/94/62/1071709462.db2.gz KRLZMCQJQZTBOW-UHFFFAOYSA-N -1 1 556.666 7.154 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1C ZINC000408767810 1071805876 /nfs/dbraw/zinc/80/58/76/1071805876.db2.gz OTVBXIFSFPFDQW-CIAFOILYSA-N -1 1 612.445 5.017 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409140527 1072558207 /nfs/dbraw/zinc/55/82/07/1072558207.db2.gz FGHOCRFJPJJXAN-WSDLNYQXSA-N -1 1 609.031 5.085 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1 ZINC000409388866 1072734649 /nfs/dbraw/zinc/73/46/49/1072734649.db2.gz WWKCGRMITODSRP-LPYMAVHISA-N -1 1 609.498 5.519 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409190402 1072870553 /nfs/dbraw/zinc/87/05/53/1072870553.db2.gz YKZFBQKVLTVJNO-PCLIKHOPSA-N -1 1 602.640 5.212 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409239634 1073113761 /nfs/dbraw/zinc/11/37/61/1073113761.db2.gz HTLBYFOXTWTRHM-IUXPMGMMSA-N -1 1 588.876 5.158 40 10 KKCBMM [O-]c1ccc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2nc1-c1cc(Br)ccc1O ZINC000001655677 551688082 /nfs/dbraw/zinc/68/80/82/551688082.db2.gz AKLCHWQEWHEXQO-UHFFFAOYSA-N -1 1 541.026 7.207 40 10 KKCBMM COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004809437 552487514 /nfs/dbraw/zinc/48/75/14/552487514.db2.gz HAOMLZRDTRSVPD-UHFFFAOYSA-N -1 1 529.662 5.838 40 10 KKCBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000028018187 553837489 /nfs/dbraw/zinc/83/74/89/553837489.db2.gz NVSNJPQWTWDYBD-CDJCAARLSA-N -1 1 694.788 6.085 40 10 KKCBMM CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)c(Br)c1[O-] ZINC000100229956 554255265 /nfs/dbraw/zinc/25/52/65/554255265.db2.gz QOJCLROXDHVINP-RIYZIHGNSA-N -1 1 559.052 5.885 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058848996 554368426 /nfs/dbraw/zinc/36/84/26/554368426.db2.gz DOXWZKTYLSLBTR-ATLLOTDBSA-N -1 1 500.542 6.341 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000058849165 554368753 /nfs/dbraw/zinc/36/87/53/554368753.db2.gz OUHPYYBQYJMLAR-ANSQWYIGSA-N -1 1 514.569 6.731 40 10 KKCBMM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849272 554368862 /nfs/dbraw/zinc/36/88/62/554368862.db2.gz KFVKZMLWRJUYOC-SXDGJLEOSA-N -1 1 506.624 5.730 40 10 KKCBMM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058849777 554369477 /nfs/dbraw/zinc/36/94/77/554369477.db2.gz PUYZTZHXABEJAM-GTNJKRJXSA-N -1 1 506.624 5.648 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000059418007 554393870 /nfs/dbraw/zinc/39/38/70/554393870.db2.gz XSDULWWWXWRRDY-VGOFMYFVSA-N -1 1 503.212 5.419 40 10 KKCBMM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000101149217 554657036 /nfs/dbraw/zinc/65/70/36/554657036.db2.gz JDGZQZJLWPYVSR-LHLOQNFPSA-N -1 1 591.696 7.770 40 10 KKCBMM COC(=O)[C@H](Cc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183526 571376218 /nfs/dbraw/zinc/37/62/18/571376218.db2.gz AJOHJTTUNAQXBF-BYXWBUOHSA-N -1 1 577.237 5.986 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c(OC)c1 ZINC000104649450 571382912 /nfs/dbraw/zinc/38/29/12/571382912.db2.gz ZPGYGPYUGTXNKC-LZCXECNNSA-N -1 1 541.467 6.094 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1 ZINC000104650107 571383086 /nfs/dbraw/zinc/38/30/86/571383086.db2.gz DXOBFJKEQKSWTP-YZUZCNPQSA-N -1 1 526.412 5.985 40 10 KKCBMM CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Br)c(Br)c1[O-] ZINC000113831227 571442491 /nfs/dbraw/zinc/44/24/91/571442491.db2.gz HDQGGGOYZDABJR-NTUHNPAUSA-N -1 1 560.245 5.630 40 10 KKCBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000150384161 571468112 /nfs/dbraw/zinc/46/81/12/571468112.db2.gz NVSNJPQWTWDYBD-NSJNLYRLSA-N -1 1 694.788 6.085 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000150474310 571510551 /nfs/dbraw/zinc/51/05/51/571510551.db2.gz DNSKCHLLGHQQLY-OVCLIPMQSA-N -1 1 685.177 6.627 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472286 571842339 /nfs/dbraw/zinc/84/23/39/571842339.db2.gz XCRUSCUGJQLYCK-RRPNLBNLSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1[N-]S(C)(=O)=O ZINC000225478509 571848455 /nfs/dbraw/zinc/84/84/55/571848455.db2.gz BFBSIXBWZUYCQO-FIRIVFDPSA-N -1 1 597.766 6.200 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479366 571849442 /nfs/dbraw/zinc/84/94/42/571849442.db2.gz HXVCDNHPJWLRHL-IZLXSDGUSA-N -1 1 561.733 5.355 40 10 KKCBMM CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225479842 571849981 /nfs/dbraw/zinc/84/99/81/571849981.db2.gz OEMINCLPDDPBPH-URLMMPGGSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480237 571850500 /nfs/dbraw/zinc/85/05/00/571850500.db2.gz UNWVDXGBZWTDFM-SVBPBHIXSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481038 571851140 /nfs/dbraw/zinc/85/11/40/571851140.db2.gz WKARQMOPCBQUHS-RRPNLBNLSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483367 571853827 /nfs/dbraw/zinc/85/38/27/571853827.db2.gz QUYQFUIKLBKFMG-JDXGNMNLSA-N -1 1 589.787 5.972 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483531 571854121 /nfs/dbraw/zinc/85/41/21/571854121.db2.gz WRJKGWUDXRZEOX-VSGBNLITSA-N -1 1 596.178 6.008 40 10 KKCBMM COc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538099 572196779 /nfs/dbraw/zinc/19/67/79/572196779.db2.gz JAPAOWZFVLOBQH-UHFFFAOYSA-N -1 1 616.262 5.128 40 10 KKCBMM COc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538099 572196782 /nfs/dbraw/zinc/19/67/82/572196782.db2.gz JAPAOWZFVLOBQH-UHFFFAOYSA-N -1 1 616.262 5.128 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538711 572199202 /nfs/dbraw/zinc/19/92/02/572199202.db2.gz PNVYVAOMVYCTIV-UHFFFAOYSA-N -1 1 541.387 5.300 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538711 572199204 /nfs/dbraw/zinc/19/92/04/572199204.db2.gz PNVYVAOMVYCTIV-UHFFFAOYSA-N -1 1 541.387 5.300 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408632695 572289124 /nfs/dbraw/zinc/28/91/24/572289124.db2.gz HAOOZKLDOXFBOJ-ONUIUJJFSA-N -1 1 527.049 7.417 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(C)c(I)c1 ZINC000408633824 572290727 /nfs/dbraw/zinc/29/07/27/572290727.db2.gz MECPNBSGJVIQCP-NHDPSOOVSA-N -1 1 590.874 6.663 40 10 KKCBMM Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1C ZINC000408774702 1069890159 /nfs/dbraw/zinc/89/01/59/1069890159.db2.gz CRKCJUOYHOFUOB-UDWIEESQSA-N -1 1 612.445 5.017 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2Br)cc1 ZINC000408852903 1070060553 /nfs/dbraw/zinc/06/05/53/1070060553.db2.gz OFYJDBADWAPFAA-OVCLIPMQSA-N -1 1 640.726 6.518 40 10 KKCBMM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)NC1=S ZINC000409090602 1070524946 /nfs/dbraw/zinc/52/49/46/1070524946.db2.gz RNTAEVSWCZLTQJ-XNTDXEJSSA-N -1 1 501.347 5.091 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl ZINC000409220698 1070647752 /nfs/dbraw/zinc/64/77/52/1070647752.db2.gz DNTVCSFNFXNDBO-YBEGLDIGSA-N -1 1 501.347 5.091 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409236218 1070651817 /nfs/dbraw/zinc/65/18/17/1070651817.db2.gz FBEUJXMILXBNJS-DJKKODMXSA-N -1 1 547.942 5.296 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408914917 1071010734 /nfs/dbraw/zinc/01/07/34/1071010734.db2.gz RQEKIMGHUFDHJZ-VCHYOVAHSA-N -1 1 528.417 5.239 40 10 KKCBMM Cc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408995343 1071553582 /nfs/dbraw/zinc/55/35/82/1071553582.db2.gz MLYCHUKQSKKPDJ-VXLYETTFSA-N -1 1 724.314 5.313 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991679 1071579164 /nfs/dbraw/zinc/57/91/64/1071579164.db2.gz OWGYVLZLEQYCCT-PZZZEZCFSA-N -1 1 582.710 5.524 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)[N-]C3=O)c2-c2ccccc2)cc1 ZINC000408739996 1071632696 /nfs/dbraw/zinc/63/26/96/1071632696.db2.gz HKKPPGLAKIJTHB-BWAHOGKJSA-N -1 1 510.640 6.477 40 10 KKCBMM Cc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000408998002 1071661719 /nfs/dbraw/zinc/66/17/19/1071661719.db2.gz PSXCKXNMJAVKAV-VCHYOVAHSA-N -1 1 724.314 5.313 40 10 KKCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000408765880 1071721519 /nfs/dbraw/zinc/72/15/19/1071721519.db2.gz RGQOWFGXJXRTHK-MHWRWJLKSA-N -1 1 545.798 5.200 40 10 KKCBMM CCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OCC ZINC000409332322 1072362923 /nfs/dbraw/zinc/36/29/23/1072362923.db2.gz DEHAZQRYPGTSSJ-UHFFFAOYSA-N -1 1 566.702 7.234 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409188221 1072883678 /nfs/dbraw/zinc/88/36/78/1072883678.db2.gz BVMVEYZUAIJTIC-ZVHZXABRSA-N -1 1 627.591 5.232 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254947 1073169955 /nfs/dbraw/zinc/16/99/55/1073169955.db2.gz JYCHEOMLVCHRHT-PXNMLYILSA-N -1 1 527.849 5.008 40 10 KKCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000009264700 553229285 /nfs/dbraw/zinc/22/92/85/553229285.db2.gz YPQFNQBHZCQQJW-QRVIBDJDSA-N -1 1 501.608 5.055 40 10 KKCBMM COc1cc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc(OC)c1OC ZINC000020288169 553633003 /nfs/dbraw/zinc/63/30/03/553633003.db2.gz IXUASRDOQLICFV-KQWNVCNZSA-N -1 1 500.580 5.459 40 10 KKCBMM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(Br)c1O ZINC000083327235 553676929 /nfs/dbraw/zinc/67/69/29/553676929.db2.gz ZKEJWASDPQHZFL-WUXMJOGZSA-N -1 1 500.530 5.077 40 10 KKCBMM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1 ZINC000058850005 554369422 /nfs/dbraw/zinc/36/94/22/554369422.db2.gz HFJAEWKRLGDGQI-UZINWLIJSA-N -1 1 507.568 5.239 40 10 KKCBMM CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000059182274 554383890 /nfs/dbraw/zinc/38/38/90/554383890.db2.gz WJPRPTOPAUIULX-HYARGMPZSA-N -1 1 506.609 5.640 40 10 KKCBMM COc1ccc(-n2[nH]c(C)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2=O)cc1 ZINC000100962711 554542665 /nfs/dbraw/zinc/54/26/65/554542665.db2.gz ORJWKQPPXFXTGT-MZJWZYIUSA-N -1 1 552.631 5.029 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000103665406 555461686 /nfs/dbraw/zinc/46/16/86/555461686.db2.gz BTNCTWUHNXFUEN-YSQJSWIUSA-N -1 1 508.581 6.030 40 10 KKCBMM CCOc1ccc(N2C(=O)C(=N[N-]c3ccccc3Cl)C(=O)N(c3ccc(Br)cc3)C2=S)cc1 ZINC000104204572 571376877 /nfs/dbraw/zinc/37/68/77/571376877.db2.gz VTXWFPZTURPBJI-DQSJHHFOSA-N -1 1 557.857 7.293 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649140 571382786 /nfs/dbraw/zinc/38/27/86/571382786.db2.gz BCDXQQADISXSPZ-VKIDHGPPSA-N -1 1 555.494 6.484 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(Br)ccc2OC)N3)c(OC)c1 ZINC000104649502 571382910 /nfs/dbraw/zinc/38/29/10/571382910.db2.gz OZESETNQQMZCRF-VKIDHGPPSA-N -1 1 571.493 6.102 40 10 KKCBMM O=C1/C(=C\c2cc(I)cc(I)c2[O-])SC(=S)N1C1CCCCC1 ZINC000113830432 571442443 /nfs/dbraw/zinc/44/24/43/571442443.db2.gz TXRKGYMTPZFGIL-NTUHNPAUSA-N -1 1 571.243 5.135 40 10 KKCBMM CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000150455941 571504636 /nfs/dbraw/zinc/50/46/36/571504636.db2.gz ZUZHJFXVRBLZKK-UHFFFAOYSA-N -1 1 665.573 5.958 40 10 KKCBMM O=S(=O)([N-]c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1)c1cc(Br)ccc1Br ZINC000150640839 571524571 /nfs/dbraw/zinc/52/45/71/571524571.db2.gz XBPQJCNMUKPLFV-UHFFFAOYSA-N -1 1 704.054 6.338 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1[N-]S(C)(=O)=O ZINC000225478438 571848683 /nfs/dbraw/zinc/84/86/83/571848683.db2.gz BFBSIXBWZUYCQO-JSOSNVBQSA-N -1 1 597.766 6.200 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481016 571851193 /nfs/dbraw/zinc/85/11/93/571851193.db2.gz WKARQMOPCBQUHS-SXOMAYOGSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225482069 571852558 /nfs/dbraw/zinc/85/25/58/571852558.db2.gz DTIUMPALDFIDPV-VMPREFPWSA-N -1 1 590.775 5.112 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482678 571853586 /nfs/dbraw/zinc/85/35/86/571853586.db2.gz QWEWETRRFBASCD-VMPREFPWSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484306 571854660 /nfs/dbraw/zinc/85/46/60/571854660.db2.gz XJCNDSVGQGMRMR-VSGBNLITSA-N -1 1 612.177 5.708 40 10 KKCBMM Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2C=C2SC(=S)[N-]C2=O)c1 ZINC000408531161 572174347 /nfs/dbraw/zinc/17/43/47/572174347.db2.gz ONZUTFSEAUAQNV-CHHVJCJISA-N -1 1 542.274 5.026 40 10 KKCBMM COc1cc(-n2[n-]c(C)c(C=Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3)c2=O)ccc1Cl ZINC000408527597 572160802 /nfs/dbraw/zinc/16/08/02/572160802.db2.gz DRJBMZCIGBAEAK-HAHDFKILSA-N -1 1 525.030 5.485 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408528151 572163196 /nfs/dbraw/zinc/16/31/96/572163196.db2.gz CSGFGXPKJSUQRL-CHHVJCJISA-N -1 1 504.895 5.947 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408532165 572178674 /nfs/dbraw/zinc/17/86/74/572178674.db2.gz SOPHFMWLFXMWCO-NSIKDUERSA-N -1 1 564.118 6.042 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(C)cc1 ZINC000408533135 572182219 /nfs/dbraw/zinc/18/22/19/572182219.db2.gz XBWNOGUERQKPOC-YVLHZVERSA-N -1 1 511.406 5.066 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538505 572198528 /nfs/dbraw/zinc/19/85/28/572198528.db2.gz NZXUFWILXADQIL-UHFFFAOYSA-N -1 1 646.357 5.683 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538904 572200027 /nfs/dbraw/zinc/20/00/27/572200027.db2.gz RDCRKRHPJISCNZ-UHFFFAOYSA-N -1 1 630.289 5.518 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408538904 572200029 /nfs/dbraw/zinc/20/00/29/572200029.db2.gz RDCRKRHPJISCNZ-UHFFFAOYSA-N -1 1 630.289 5.518 40 10 KKCBMM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c3ccccc32)o1 ZINC000408541224 572207700 /nfs/dbraw/zinc/20/77/00/572207700.db2.gz CCOAXLJHPXRVMR-RQZCQDPDSA-N -1 1 540.384 5.119 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408550685 572234711 /nfs/dbraw/zinc/23/47/11/572234711.db2.gz GHTUYSUPNFOIOQ-GIDUJCDVSA-N -1 1 595.267 5.113 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552946 572239662 /nfs/dbraw/zinc/23/96/62/572239662.db2.gz SQFFROGBGRZWDX-GIDUJCDVSA-N -1 1 503.816 5.162 40 10 KKCBMM O=C(COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br)Nc1ccc(Cl)c(Cl)c1 ZINC000408553691 572241007 /nfs/dbraw/zinc/24/10/07/572241007.db2.gz PCCHRNQJHYGBEA-GIDUJCDVSA-N -1 1 518.241 5.262 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n1 ZINC000408630524 572286286 /nfs/dbraw/zinc/28/62/86/572286286.db2.gz BAFWASUDDMBDPU-NKVSQWTQSA-N -1 1 533.412 6.552 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c(OC)c1 ZINC000408995663 1070364037 /nfs/dbraw/zinc/36/40/37/1070364037.db2.gz MUIRINDBYYZELR-CTVOUCONSA-N -1 1 550.702 5.825 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2I)cc1 ZINC000408997448 1070367140 /nfs/dbraw/zinc/36/71/40/1070367140.db2.gz GERFEFIFXPXKDL-QGMBQPNBSA-N -1 1 744.732 5.658 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c1 ZINC000408995001 1070371501 /nfs/dbraw/zinc/37/15/01/1070371501.db2.gz KKOMQNFUJPXPRB-CLCZQPDDSA-N -1 1 535.647 5.716 40 10 KKCBMM COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000103922578 1070934974 /nfs/dbraw/zinc/93/49/74/1070934974.db2.gz XIAXEBSLFACQLJ-XHPQRKPJSA-N -1 1 611.709 5.341 40 10 KKCBMM Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408734197 1071566632 /nfs/dbraw/zinc/56/66/32/1071566632.db2.gz FQWYJVUMXPXFAR-UHFFFAOYSA-N -1 1 502.621 7.148 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@@H]5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408991683 1071579142 /nfs/dbraw/zinc/57/91/42/1071579142.db2.gz OWGYVLZLEQYCCT-XXEDUFPJSA-N -1 1 582.710 5.524 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccccc2Cl)c1 ZINC000408991046 1071583575 /nfs/dbraw/zinc/58/35/75/1071583575.db2.gz YTPORESDQSGMPT-UHFFFAOYSA-N -1 1 591.067 7.139 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408996212 1071619477 /nfs/dbraw/zinc/61/94/77/1071619477.db2.gz LLJTYAJRGPOYCG-CTVOUCONSA-N -1 1 534.703 6.207 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2I)cc1 ZINC000409001010 1071647583 /nfs/dbraw/zinc/64/75/83/1071647583.db2.gz OKOMVMVOQWSLKT-FRKPEAEDSA-N -1 1 779.177 6.311 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1 ZINC000409025793 1071707696 /nfs/dbraw/zinc/70/76/96/1071707696.db2.gz WTZDDTUJHLGYAH-UHFFFAOYSA-N -1 1 600.675 6.884 40 10 KKCBMM COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408761267 1071740312 /nfs/dbraw/zinc/74/03/12/1071740312.db2.gz DNGIBNWAPGXODK-ZDLGFXPLSA-N -1 1 557.411 5.111 40 10 KKCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000409041188 1071883824 /nfs/dbraw/zinc/88/38/24/1071883824.db2.gz JAZZEVRNDTXZLD-UHFFFAOYSA-N -1 1 565.070 5.012 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000409329522 1072384830 /nfs/dbraw/zinc/38/48/30/1072384830.db2.gz FCVQPPAJFQURNL-APSNUPSMSA-N -1 1 566.269 6.065 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409328783 1072389986 /nfs/dbraw/zinc/38/99/86/1072389986.db2.gz ATEATDLXWORKJF-RZNTYIFUSA-N -1 1 554.112 6.586 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409132942 1072501564 /nfs/dbraw/zinc/50/15/64/1072501564.db2.gz PKTOCAXTXZBMBU-YDZHTSKRSA-N -1 1 667.509 5.584 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1OC ZINC000409131182 1072510746 /nfs/dbraw/zinc/51/07/46/1072510746.db2.gz MIMVGYDYPCPIEA-LPYMAVHISA-N -1 1 579.005 5.077 40 10 KKCBMM Cc1cc(C(c2c(=O)[nH][n-]c2-c2ccc(C)cc2)c2c(=O)[nH][nH]c2-c2ccc(C)cc2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000409370604 1072653939 /nfs/dbraw/zinc/65/39/39/1072653939.db2.gz BAKCBVRMBRUKAF-UHFFFAOYSA-N -1 1 622.567 8.154 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccccc1OC ZINC000409197380 1072935989 /nfs/dbraw/zinc/93/59/89/1072935989.db2.gz DETPXXVHJXSFFQ-UHFFFAOYSA-N -1 1 630.701 6.893 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409223527 1072987782 /nfs/dbraw/zinc/98/77/82/1072987782.db2.gz ZWGBWOAQQVFLLM-MFOYZWKCSA-N -1 1 586.327 5.425 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1Cl ZINC000409223264 1072989304 /nfs/dbraw/zinc/98/93/04/1072989304.db2.gz FAYKTNKNPYSVFA-MHWRWJLKSA-N -1 1 501.347 5.091 40 10 KKCBMM O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1Cl ZINC000409239326 1073115500 /nfs/dbraw/zinc/11/55/00/1073115500.db2.gz MULOAOHZBQCVBD-YBEGLDIGSA-N -1 1 520.872 5.148 40 10 KKCBMM COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000001084252 551606149 /nfs/dbraw/zinc/60/61/49/551606149.db2.gz UAOWQIKVPMOQIV-BOPFTXTBSA-N -1 1 557.411 5.111 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1OC)N2 ZINC000058849121 554368287 /nfs/dbraw/zinc/36/82/87/554368287.db2.gz YEEKYSDXXJZPCY-GTNJKRJXSA-N -1 1 506.624 5.730 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c(OC)c1 ZINC000058849293 554368762 /nfs/dbraw/zinc/36/87/62/554368762.db2.gz AJLKPBQIYPGNQL-VKIDHGPPSA-N -1 1 522.623 5.348 40 10 KKCBMM COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c1 ZINC000058849461 554369196 /nfs/dbraw/zinc/36/91/96/554369196.db2.gz YJCWDPJMWQZENS-ANSQWYIGSA-N -1 1 506.580 5.029 40 10 KKCBMM CC(C)(C)Cc1ccc(OCC(=O)Nc2cc(=O)n(-c3c(F)c(F)c(F)c(F)c3F)[n-]2)c(CC(C)(C)C)c1 ZINC000059662165 554420543 /nfs/dbraw/zinc/42/05/43/554420543.db2.gz LIFSOHIBBASECY-UHFFFAOYSA-N -1 1 539.545 5.805 40 10 KKCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000020289232 571360600 /nfs/dbraw/zinc/36/06/00/571360600.db2.gz HXDXXWWHRHYRFN-JCMHNJIXSA-N -1 1 512.444 5.639 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000104214249 571377008 /nfs/dbraw/zinc/37/70/08/571377008.db2.gz BTNCTWUHNXFUEN-HONXOCJOSA-N -1 1 508.581 6.030 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c(OC)c1 ZINC000104649488 571382964 /nfs/dbraw/zinc/38/29/64/571382964.db2.gz IPHMDMQIYAIVGL-ANSQWYIGSA-N -1 1 530.568 6.350 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c(OC)c1 ZINC000104649436 571382998 /nfs/dbraw/zinc/38/29/98/571382998.db2.gz VKSNIOSPCOVXCV-ANSQWYIGSA-N -1 1 531.461 6.638 40 10 KKCBMM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649965 571383118 /nfs/dbraw/zinc/38/31/18/571383118.db2.gz NVXDKBMURAOBHB-DDFCPOBKSA-N -1 1 534.678 6.428 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649975 571383162 /nfs/dbraw/zinc/38/31/62/571383162.db2.gz CAHWGFLVODSRER-QSOCVKKASA-N -1 1 597.693 7.118 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000109428840 571429314 /nfs/dbraw/zinc/42/93/14/571429314.db2.gz PMNKACCZACABPC-UUASQNMZSA-N -1 1 552.242 5.674 40 10 KKCBMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(S(=O)(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)cc2C(=O)c2ccccc2)cc1 ZINC000150346811 571460657 /nfs/dbraw/zinc/46/06/57/571460657.db2.gz AZWLYJJVVKYLRF-UHFFFAOYSA-N -1 1 674.822 6.228 40 10 KKCBMM Cc1cc([N-]S(=O)(=O)c2ccc(/N=N\c3c(C)n(-c4ccc(S(=O)(=O)Nc5ccncn5)cc4)nc3Nc3ccccc3)cc2)no1 ZINC000150451373 571502920 /nfs/dbraw/zinc/50/29/20/571502920.db2.gz ZKACPEZNSSVIGA-KNWKATPGSA-N -1 1 670.737 6.028 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1[N-]S(C)(=O)=O ZINC000260851302 571751892 /nfs/dbraw/zinc/75/18/92/571751892.db2.gz NHUXYZFWZYHOEJ-RRPNLBNLSA-N -1 1 563.749 5.271 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1[N-]S(C)(=O)=O ZINC000225473232 571843052 /nfs/dbraw/zinc/84/30/52/571843052.db2.gz KMXAKVYJRISFHL-SVBPBHIXSA-N -1 1 598.194 5.924 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479513 571849604 /nfs/dbraw/zinc/84/96/04/571849604.db2.gz ZKFDRJFXWVTHGB-SXOMAYOGSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482744 571853565 /nfs/dbraw/zinc/85/35/65/571853565.db2.gz QWEWETRRFBASCD-URLMMPGGSA-N -1 1 575.760 5.663 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1 ZINC000408530209 572170910 /nfs/dbraw/zinc/17/09/10/572170910.db2.gz LHKXLWZKNATHCX-NSIKDUERSA-N -1 1 503.212 5.419 40 10 KKCBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3ccccc3)cc2)cc1)C(Sc1ncnc2[nH]cnc21)(Sc1ncnc2[nH]cnc21)Sc1ncnc2[nH]cnc21 ZINC000263600850 572128841 /nfs/dbraw/zinc/12/88/41/572128841.db2.gz KLUNJWMALJPAQN-UHFFFAOYSA-N -1 1 844.954 6.871 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408526476 572157715 /nfs/dbraw/zinc/15/77/15/572157715.db2.gz CECIDYUKPIKEGC-HAHDFKILSA-N -1 1 583.368 7.706 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000408532253 572179258 /nfs/dbraw/zinc/17/92/58/572179258.db2.gz SZCSTBKQCAOKIY-AUWJEWJLSA-N -1 1 503.212 5.419 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000408535354 572188347 /nfs/dbraw/zinc/18/83/47/572188347.db2.gz SKKBGGIRTHHFGB-HMAPJEAMSA-N -1 1 604.324 6.039 40 10 KKCBMM COc1cc(COc2c(Br)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408536705 572192311 /nfs/dbraw/zinc/19/23/11/572192311.db2.gz ALQSPZOEMQBIFI-UHFFFAOYSA-N -1 1 632.330 5.293 40 10 KKCBMM COc1cc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408540449 572205811 /nfs/dbraw/zinc/20/58/11/572205811.db2.gz RZLPKLRZCUMJCB-YDZHTSKRSA-N -1 1 528.051 6.004 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[O-])n1 ZINC000408630867 572286710 /nfs/dbraw/zinc/28/67/10/572286710.db2.gz DJBBDPRTNMAIMZ-NHDPSOOVSA-N -1 1 515.422 6.412 40 10 KKCBMM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])c2C)c1C ZINC000408633076 572289714 /nfs/dbraw/zinc/28/97/14/572289714.db2.gz LIMMNYNWHBTIHJ-ZMOGYAJESA-N -1 1 548.621 5.209 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3nc(-c4cc(OC)cc(OC)c4)n[nH]3)C(=O)[O-])c2C)cc1 ZINC000408633356 572290036 /nfs/dbraw/zinc/29/00/36/572290036.db2.gz MQTAUUFBZAUPPU-OYKKKHCWSA-N -1 1 548.621 5.291 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000408887090 1070137092 /nfs/dbraw/zinc/13/70/92/1070137092.db2.gz NTTFGEZBJLWVTK-AUWJEWJLSA-N -1 1 519.667 5.933 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409192570 1070610500 /nfs/dbraw/zinc/61/05/00/1070610500.db2.gz FBBHCPUMWCVBOS-SRZZPIQSSA-N -1 1 550.423 5.526 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408948424 1071364852 /nfs/dbraw/zinc/36/48/52/1071364852.db2.gz RNOKKWYNGLUXOO-CAOOACKPSA-N -1 1 548.835 5.584 40 10 KKCBMM CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)cc1 ZINC000408973607 1071447765 /nfs/dbraw/zinc/44/77/65/1071447765.db2.gz ZMGVIQRTOFNZSY-UHFFFAOYSA-N -1 1 537.465 5.325 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2cccc(Br)c2)cc1 ZINC000408986536 1071489427 /nfs/dbraw/zinc/48/94/27/1071489427.db2.gz MSUPVBONSVCAOU-UHFFFAOYSA-N -1 1 635.518 7.248 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2cccc(Cl)c2)c1 ZINC000408984570 1071508930 /nfs/dbraw/zinc/50/89/30/1071508930.db2.gz JBQJDLAKMNZMME-UHFFFAOYSA-N -1 1 591.067 7.139 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc2I)cc1 ZINC000408994769 1071556859 /nfs/dbraw/zinc/55/68/59/1071556859.db2.gz IXCLKUMNGMMBOU-QGMBQPNBSA-N -1 1 789.183 5.767 40 10 KKCBMM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)[N-]C4=O)cc3[N+](=O)[O-])sc2c1)c1ccccc1 ZINC000408994282 1071559472 /nfs/dbraw/zinc/55/94/72/1071559472.db2.gz YYQKBALDYFRYFI-JAIQZWGSSA-N -1 1 550.668 6.097 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c([N+](=O)[O-])c1 ZINC000408990207 1071591060 /nfs/dbraw/zinc/59/10/60/1071591060.db2.gz JXESGWHWSZLNAV-JMIUGGIZSA-N -1 1 576.662 5.645 40 10 KKCBMM O=C(Nc1ccc2nc(Sc3ccc(/C=C4\SC(=S)[N-]C4=O)cc3[N+](=O)[O-])sc2c1)c1ccc(Cl)cc1 ZINC000408988116 1071606811 /nfs/dbraw/zinc/60/68/11/1071606811.db2.gz CQIPVJCQPXZUNE-JMIUGGIZSA-N -1 1 585.113 6.750 40 10 KKCBMM CCOc1cccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408997390 1071664931 /nfs/dbraw/zinc/66/49/31/1071664931.db2.gz OCQFCIHSEZTJIF-KEBDBYFISA-N -1 1 754.340 5.403 40 10 KKCBMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000408758659 1071704550 /nfs/dbraw/zinc/70/45/50/1071704550.db2.gz OQSNEQSNLLEDQB-JMIUGGIZSA-N -1 1 519.526 6.302 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2I)cc1 ZINC000408768908 1071797846 /nfs/dbraw/zinc/79/78/46/1071797846.db2.gz LONHLIZMRQQWOV-YBFXNURJSA-N -1 1 618.836 5.053 40 10 KKCBMM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2)c1 ZINC000408786562 1071849695 /nfs/dbraw/zinc/84/96/95/1071849695.db2.gz KSHOQZIOOHYPIL-LDADJPATSA-N -1 1 527.385 5.102 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OC ZINC000409122803 1072419913 /nfs/dbraw/zinc/41/99/13/1072419913.db2.gz BVKRXJFYGVKWQG-WSDLNYQXSA-N -1 1 700.482 5.036 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC4CSC4)cc2)N3)c1 ZINC000409337721 1072492837 /nfs/dbraw/zinc/49/28/37/1072492837.db2.gz ZBVCMFRHLYSSLT-CLCZQPDDSA-N -1 1 535.647 5.716 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409128447 1072525240 /nfs/dbraw/zinc/52/52/40/1072525240.db2.gz OVGHCDOPEXXVSM-HZHRSRAPSA-N -1 1 623.456 5.186 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387047 1072683541 /nfs/dbraw/zinc/68/35/41/1072683541.db2.gz SRQJBTFGGZNDRA-XDHOZWIPSA-N -1 1 540.066 5.217 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384518 1072697928 /nfs/dbraw/zinc/69/79/28/1072697928.db2.gz DBVKPIJGNHEZJH-YBFXNURJSA-N -1 1 540.066 5.217 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C(=O)NC2=S)cc1 ZINC000409379940 1072721319 /nfs/dbraw/zinc/72/13/19/1072721319.db2.gz CSCAWIPPYWVQEO-YZSQISJMSA-N -1 1 536.609 5.511 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387903 1072740834 /nfs/dbraw/zinc/74/08/34/1072740834.db2.gz YETDGZAKESEKOS-FYJGNVAPSA-N -1 1 533.675 5.181 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Br)c3)C2=O)cc1OCC ZINC000409194189 1072845628 /nfs/dbraw/zinc/84/56/28/1072845628.db2.gz OEIFQTDIRLJVMR-OEAKJJBVSA-N -1 1 637.483 5.576 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000409194136 1072845668 /nfs/dbraw/zinc/84/56/68/1072845668.db2.gz OGXFSCOHUQNKSC-WGOQTCKBSA-N -1 1 531.593 5.372 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409194006 1072846488 /nfs/dbraw/zinc/84/64/88/1072846488.db2.gz KFSKDTMVDQBXND-OEAKJJBVSA-N -1 1 716.379 6.338 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190022 1072871408 /nfs/dbraw/zinc/87/14/08/1072871408.db2.gz USPZRRFGMAHKHI-YDZHTSKRSA-N -1 1 667.509 5.584 40 10 KKCBMM Nc1ccc(-c2ccc(N=Nc3c(O)c4ccc(NC(=O)c5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1 ZINC000004707593 552472251 /nfs/dbraw/zinc/47/22/51/552472251.db2.gz VQZBKUMVTCJOES-ULIFNZDWSA-N -1 1 538.585 6.709 40 10 KKCBMM COc1ccc(N2CCCN(c3ccc(OC)cc3)C2c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004809436 552487542 /nfs/dbraw/zinc/48/75/42/552487542.db2.gz WMFYLFHSVRIZRP-UHFFFAOYSA-N -1 1 543.689 6.229 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000058848929 554368295 /nfs/dbraw/zinc/36/82/95/554368295.db2.gz KCYOLWAQYGLHAB-WZOHSFFVSA-N -1 1 511.441 6.085 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058849078 554368410 /nfs/dbraw/zinc/36/84/10/554368410.db2.gz KUKLFCXOVBPNGX-GNBJCERTSA-N -1 1 515.462 7.019 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2 ZINC000058849788 554369472 /nfs/dbraw/zinc/36/94/72/554369472.db2.gz KNBMAUXVLFTLDD-BALWLHIASA-N -1 1 506.624 5.648 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1 ZINC000058850030 554369519 /nfs/dbraw/zinc/36/95/19/554369519.db2.gz MAECAFWWWHTMTQ-GLDPYIMESA-N -1 1 515.513 6.241 40 10 KKCBMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1[N+](=O)[O-] ZINC000100922817 554522703 /nfs/dbraw/zinc/52/27/03/554522703.db2.gz CUVCJBIVTDIURC-OZEVPFDHSA-N -1 1 590.427 6.339 40 10 KKCBMM Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000100962761 554542813 /nfs/dbraw/zinc/54/28/13/554542813.db2.gz ZMEOCYXCICBVHC-LGJNPRDNSA-N -1 1 601.501 5.783 40 10 KKCBMM CC(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000103921225 571369764 /nfs/dbraw/zinc/36/97/64/571369764.db2.gz XSVOLASTBQFGQW-XHPQRKPJSA-N -1 1 527.581 5.159 40 10 KKCBMM CC(=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1 ZINC000103921225 571369765 /nfs/dbraw/zinc/36/97/65/571369765.db2.gz XSVOLASTBQFGQW-XHPQRKPJSA-N -1 1 527.581 5.159 40 10 KKCBMM O=C(NCCc1ccc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1 ZINC000150382534 571467290 /nfs/dbraw/zinc/46/72/90/571467290.db2.gz IADVAQGLXRSNCH-DVQJGIKISA-N -1 1 649.781 5.578 40 10 KKCBMM CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000150433854 571494709 /nfs/dbraw/zinc/49/47/09/571494709.db2.gz UYHFLFYRGWPHRD-AREMUKBSSA-N -1 1 635.547 5.984 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000206938261 571573082 /nfs/dbraw/zinc/57/30/82/571573082.db2.gz PZHIFDNHEQUKKC-NVNXTCNLSA-N -1 1 515.248 5.288 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472330 571842457 /nfs/dbraw/zinc/84/24/57/571842457.db2.gz XCRUSCUGJQLYCK-KAYWLYCHSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225479064 571849009 /nfs/dbraw/zinc/84/90/09/571849009.db2.gz HGOKHUGEUDXCQC-IZLXSDGUSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479481 571849384 /nfs/dbraw/zinc/84/93/84/571849384.db2.gz ZKFDRJFXWVTHGB-SVBPBHIXSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479285 571849633 /nfs/dbraw/zinc/84/96/33/571849633.db2.gz HQYHRACHLYSKDD-VSGBNLITSA-N -1 1 561.733 5.355 40 10 KKCBMM CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225479624 571849943 /nfs/dbraw/zinc/84/99/43/571849943.db2.gz PLNPUKWOWVJSRQ-FQLXRVMXSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479546 571850066 /nfs/dbraw/zinc/85/00/66/571850066.db2.gz ZKFDRJFXWVTHGB-RRPNLBNLSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480302 571850481 /nfs/dbraw/zinc/85/04/81/571850481.db2.gz UNWVDXGBZWTDFM-RRPNLBNLSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480746 571850969 /nfs/dbraw/zinc/85/09/69/571850969.db2.gz YXVRFBYEQBCBIV-RRPNLBNLSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481065 571851247 /nfs/dbraw/zinc/85/12/47/571851247.db2.gz WKARQMOPCBQUHS-KAYWLYCHSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481141 571851687 /nfs/dbraw/zinc/85/16/87/571851687.db2.gz CVAKFCNPKGDOKI-KAYWLYCHSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482923 571853489 /nfs/dbraw/zinc/85/34/89/571853489.db2.gz HMUUOZCLKOQRAM-FQLXRVMXSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482977 571853553 /nfs/dbraw/zinc/85/35/53/571853553.db2.gz QNBPRBMNFPNRAZ-YTMVLYRLSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225483104 571853818 /nfs/dbraw/zinc/85/38/18/571853818.db2.gz TYOPADAZRTVFPF-VMPREFPWSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225483158 571853849 /nfs/dbraw/zinc/85/38/49/571853849.db2.gz TYOPADAZRTVFPF-URLMMPGGSA-N -1 1 575.760 5.663 40 10 KKCBMM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225484536 571855294 /nfs/dbraw/zinc/85/52/94/571855294.db2.gz NHXQNUMZSNQJML-DGPALRBDSA-N -1 1 589.787 5.917 40 10 KKCBMM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1cc(C)c(C)cc1Br ZINC000408537186 572193606 /nfs/dbraw/zinc/19/36/06/572193606.db2.gz ZKXXBOHWJNGOCZ-XYGWBWBKSA-N -1 1 518.499 7.252 40 10 KKCBMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4)c3=O)cc1)CCCC2 ZINC000408539171 572201032 /nfs/dbraw/zinc/20/10/32/572201032.db2.gz UNIHNDMNOBCJAW-KQWNVCNZSA-N -1 1 621.557 6.845 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408541495 572208931 /nfs/dbraw/zinc/20/89/31/572208931.db2.gz ZSOFZQSAXWLKPY-MFKUBSTISA-N -1 1 507.633 5.741 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408549948 572232734 /nfs/dbraw/zinc/23/27/34/572232734.db2.gz AAMSVTKVTGYVKY-FRKPEAEDSA-N -1 1 517.843 5.552 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(C)cc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])c2C)cc1 ZINC000408630479 572286173 /nfs/dbraw/zinc/28/61/73/572286173.db2.gz ACVZAVBQZWMDTK-QRVIBDJDSA-N -1 1 553.040 5.936 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)[O-])n1 ZINC000408631242 572287300 /nfs/dbraw/zinc/28/73/00/572287300.db2.gz GUBVPOCHGIFPKY-NHDPSOOVSA-N -1 1 559.873 6.522 40 10 KKCBMM COC(=O)c1cccc(-n2c(C)cc(C=C(Sc3nc(-c4cc(Cl)ccc4OC)n[nH]3)C(=O)[O-])c2C)c1C ZINC000408632782 572289276 /nfs/dbraw/zinc/28/92/76/572289276.db2.gz SKDWYIKZFQHRJI-FSJBWODESA-N -1 1 553.040 5.854 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)[O-])n1 ZINC000408633084 572289732 /nfs/dbraw/zinc/28/97/32/572289732.db2.gz VUPOBPJHIREDDV-YVNNLAQVSA-N -1 1 620.900 6.672 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408634128 572291073 /nfs/dbraw/zinc/29/10/73/572291073.db2.gz PLOUQYAXWXUSPY-JMIUGGIZSA-N -1 1 519.841 7.057 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000408635052 572292040 /nfs/dbraw/zinc/29/20/40/572292040.db2.gz XHJKTAMHQRASRK-NDENLUEZSA-N -1 1 529.847 6.513 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)[O-])n2)c1 ZINC000408634941 572292073 /nfs/dbraw/zinc/29/20/73/572292073.db2.gz YEELECGVOPFSJT-ZVHZXABRSA-N -1 1 519.627 5.180 40 10 KKCBMM CCN(c1ccccc1)S(=O)(=O)c1cc(/N=N/c2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c32)ccc1C ZINC000100051441 1069695585 /nfs/dbraw/zinc/69/55/85/1069695585.db2.gz JQNSWTWZESAPPA-BYYHNAKLSA-N -1 1 540.623 5.313 40 10 KKCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408849124 1070062032 /nfs/dbraw/zinc/06/20/32/1070062032.db2.gz UTAWEGYBQKLTAN-CXUHLZMHSA-N -1 1 636.307 5.873 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409192611 1070610626 /nfs/dbraw/zinc/61/06/26/1070610626.db2.gz CVVAAQIGWQEVGO-USHMODERSA-N -1 1 604.087 6.994 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000408888841 1070810880 /nfs/dbraw/zinc/81/08/80/1070810880.db2.gz BRRPFZWIXOCZIK-NVNXTCNLSA-N -1 1 517.797 5.021 40 10 KKCBMM Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408993732 1071563737 /nfs/dbraw/zinc/56/37/37/1071563737.db2.gz FHRBARYUFTYDSX-KEBDBYFISA-N -1 1 738.341 5.621 40 10 KKCBMM O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Cl)c([O-])c1 ZINC000408738470 1071608764 /nfs/dbraw/zinc/60/87/64/1071608764.db2.gz YBIUEQNITRTWFV-LDADJPATSA-N -1 1 508.788 8.084 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408999587 1071654706 /nfs/dbraw/zinc/65/47/06/1071654706.db2.gz RIGBZLWBMORPSY-OVCLIPMQSA-N -1 1 779.177 6.311 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000409068005 1072114497 /nfs/dbraw/zinc/11/44/97/1072114497.db2.gz FHGMDWZABWVHEM-UHFFFAOYSA-N -1 1 560.629 6.984 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409387344 1072744301 /nfs/dbraw/zinc/74/43/01/1072744301.db2.gz VTJRSGWSXNDPHE-LICLKQGHSA-N -1 1 574.511 5.871 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2ccc([O-])c(I)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409185889 1072767638 /nfs/dbraw/zinc/76/76/38/1072767638.db2.gz SABMASZABIDJMC-OURMJXGFSA-N -1 1 689.575 6.390 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Cl)c([O-])c(OCC)c2)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409181515 1072797964 /nfs/dbraw/zinc/79/79/64/1072797964.db2.gz CIPAMFZDJAFHMM-CZUMTRSGSA-N -1 1 642.177 6.838 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409220919 1073002451 /nfs/dbraw/zinc/00/24/51/1073002451.db2.gz HSZFPZUUQQNWOW-ZDLGFXPLSA-N -1 1 582.485 5.121 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409254479 1073172817 /nfs/dbraw/zinc/17/28/17/1073172817.db2.gz DNXMEEDCPBDOTL-UUASQNMZSA-N -1 1 548.267 5.271 40 10 KKCBMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(O)c(Sc4nc5ccccc5s4)c3)c3cccc1c23 ZINC000008974186 1073203067 /nfs/dbraw/zinc/20/30/67/1073203067.db2.gz FPEJYPJGWHCTBT-UHFFFAOYSA-N -1 1 505.602 5.673 40 10 KKCBMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2cc(Sc3cccc4cccnc43)c(O)c3ccccc23)c1C ZINC000006142967 552544575 /nfs/dbraw/zinc/54/45/75/552544575.db2.gz HEDFUWDENXKERY-UHFFFAOYSA-N -1 1 542.726 7.960 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c(OC)c1 ZINC000058849324 554368771 /nfs/dbraw/zinc/36/87/71/554368771.db2.gz OFDFSEHUWXHFAM-CTVOUCONSA-N -1 1 520.651 6.118 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c(OC)c1 ZINC000058849285 554368813 /nfs/dbraw/zinc/36/88/13/554368813.db2.gz SFTYBPJDVGBZHJ-BALWLHIASA-N -1 1 522.623 5.348 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000058849794 554369495 /nfs/dbraw/zinc/36/94/95/554369495.db2.gz DCRFGXZDUCFXRG-VKIDHGPPSA-N -1 1 506.624 5.648 40 10 KKCBMM O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccccc2)cc1Sc1nc2ccccc2s1)c1ccccc1 ZINC000100498676 554404969 /nfs/dbraw/zinc/40/49/69/554404969.db2.gz UGTPJWQRKWKNPJ-UHFFFAOYSA-N -1 1 553.712 6.049 40 10 KKCBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1O ZINC000101141245 554653460 /nfs/dbraw/zinc/65/34/60/554653460.db2.gz JUQOCXYFWBNACJ-ODBZBXGJSA-N -1 1 548.647 6.063 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649923 571383133 /nfs/dbraw/zinc/38/31/33/571383133.db2.gz SLODUBVJUCOMCG-LZCXECNNSA-N -1 1 525.468 6.393 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000104649949 571383141 /nfs/dbraw/zinc/38/31/41/571383141.db2.gz KRMMTLCHNIWNOU-BALWLHIASA-N -1 1 536.650 5.657 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc4c(cc2Br)OCO4)N3)c1 ZINC000104650169 571383172 /nfs/dbraw/zinc/38/31/72/571383172.db2.gz YWJCWWGMEAZUMM-ATLLOTDBSA-N -1 1 570.421 5.713 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650611 571383333 /nfs/dbraw/zinc/38/33/33/571383333.db2.gz YLRGUDQAOJADHB-ANSQWYIGSA-N -1 1 525.468 6.393 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1 ZINC000104650632 571383339 /nfs/dbraw/zinc/38/33/39/571383339.db2.gz STBLGGSZFPUANJ-GLDPYIMESA-N -1 1 526.412 5.985 40 10 KKCBMM O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)SC1=S)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000150470017 571509218 /nfs/dbraw/zinc/50/92/18/571509218.db2.gz LELVJLJYNSEPML-OCEACIFDSA-N -1 1 762.870 5.544 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1[N-]S(C)(=O)=O ZINC000260851217 571751534 /nfs/dbraw/zinc/75/15/34/571751534.db2.gz KMXAKVYJRISFHL-KAYWLYCHSA-N -1 1 598.194 5.924 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472216 571842393 /nfs/dbraw/zinc/84/23/93/571842393.db2.gz XCRUSCUGJQLYCK-SVBPBHIXSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478954 571849139 /nfs/dbraw/zinc/84/91/39/571849139.db2.gz AGAVMSARTKQLHK-RRPNLBNLSA-N -1 1 547.706 5.046 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480150 571850470 /nfs/dbraw/zinc/85/04/70/571850470.db2.gz PXSAYYACWBEFRP-RRPNLBNLSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482883 571853539 /nfs/dbraw/zinc/85/35/39/571853539.db2.gz HMUUOZCLKOQRAM-URLMMPGGSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483064 571853838 /nfs/dbraw/zinc/85/38/38/571853838.db2.gz QNBPRBMNFPNRAZ-XRKRLSELSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408533583 572184162 /nfs/dbraw/zinc/18/41/62/572184162.db2.gz ZFFMZPOJRWZLTQ-NSIKDUERSA-N -1 1 535.319 5.666 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408538546 572198588 /nfs/dbraw/zinc/19/85/88/572198588.db2.gz OPDLVNKUYQMLEK-UHFFFAOYSA-N -1 1 567.063 5.210 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)ccc1OCc1ccccc1 ZINC000408539000 572200425 /nfs/dbraw/zinc/20/04/25/572200425.db2.gz DGDZKQGKIFQHNR-YDZHTSKRSA-N -1 1 635.399 7.257 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539853 572203772 /nfs/dbraw/zinc/20/37/72/572203772.db2.gz ZMYZOHXVEXKEQW-UHFFFAOYSA-N -1 1 595.446 5.154 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408539853 572203773 /nfs/dbraw/zinc/20/37/73/572203773.db2.gz ZMYZOHXVEXKEQW-UHFFFAOYSA-N -1 1 595.446 5.154 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540256 572205013 /nfs/dbraw/zinc/20/50/13/572205013.db2.gz PHJKEKVUJFBLGS-ZVHZXABRSA-N -1 1 586.529 6.503 40 10 KKCBMM COc1cc(COc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000408540552 572206055 /nfs/dbraw/zinc/20/60/55/572206055.db2.gz TZDOMERSEFPUQW-YDZHTSKRSA-N -1 1 542.476 6.105 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000408631930 572288199 /nfs/dbraw/zinc/28/81/99/572288199.db2.gz NIEZYNMCLHTZHY-UDWIEESQSA-N -1 1 515.979 5.250 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N(C)C)c(Br)c2)C(=O)[O-])n1 ZINC000408632277 572288586 /nfs/dbraw/zinc/28/85/86/572288586.db2.gz PODITKCEFJYZGA-MFOYZWKCSA-N -1 1 509.813 5.180 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(I)cc1 ZINC000408634962 572292062 /nfs/dbraw/zinc/29/20/62/572292062.db2.gz VVWMEBJRJWIDCH-NDENLUEZSA-N -1 1 576.847 6.355 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)[N-]C1=S ZINC000408912242 1070189455 /nfs/dbraw/zinc/18/94/55/1070189455.db2.gz DSRIVJRDTNJYCG-UUILKARUSA-N -1 1 579.097 5.354 40 10 KKCBMM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000408960133 1070322887 /nfs/dbraw/zinc/32/28/87/1070322887.db2.gz CEMBEIJXPLSMFO-MHWRWJLKSA-N -1 1 501.347 5.091 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1cccc(C)c1 ZINC000409025008 1071710430 /nfs/dbraw/zinc/71/04/30/1071710430.db2.gz KAZPKNMJRCCPAN-UHFFFAOYSA-N -1 1 600.719 7.552 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408768716 1071798823 /nfs/dbraw/zinc/79/88/23/1071798823.db2.gz ILSUUUOFRSAGHP-FRKPEAEDSA-N -1 1 515.248 5.288 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409064675 1072013716 /nfs/dbraw/zinc/01/37/16/1072013716.db2.gz FCZKPOUUHIYOJY-VCHYOVAHSA-N -1 1 528.417 5.239 40 10 KKCBMM O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S ZINC000409368409 1072665432 /nfs/dbraw/zinc/66/54/32/1072665432.db2.gz UJBOMOOHJPNDTP-MKMNVTDBSA-N -1 1 519.229 5.399 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409195655 1072836194 /nfs/dbraw/zinc/83/61/94/1072836194.db2.gz UUEYVMLHYFBINF-OEAKJJBVSA-N -1 1 627.477 6.120 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1 ZINC000409195508 1072836815 /nfs/dbraw/zinc/83/68/15/1072836815.db2.gz VYAJYXNHDCQHSM-CXUHLZMHSA-N -1 1 563.838 5.376 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409194191 1072845927 /nfs/dbraw/zinc/84/59/27/1072845927.db2.gz OFYIFNSYQOXVRF-ZVHZXABRSA-N -1 1 728.536 5.817 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1OCC ZINC000409190880 1072867515 /nfs/dbraw/zinc/86/75/15/1072867515.db2.gz AIVVORHZMVTUPC-YDZHTSKRSA-N -1 1 714.509 5.427 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409189428 1072875645 /nfs/dbraw/zinc/87/56/45/1072875645.db2.gz GMIIPAXXQOXTAG-VULFUBBASA-N -1 1 620.514 6.509 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000409250694 1073133970 /nfs/dbraw/zinc/13/39/70/1073133970.db2.gz RSGQAQPDEKRCQE-SXGWCWSVSA-N -1 1 561.401 5.373 40 10 KKCBMM COc1ccc(OC)c(N=Nc2cc(OC)c(NN=C3C(=O)Nc4ccccc4C3=O)cc2Cc2ccccc2C(=O)[O-])c1 ZINC000008622296 553103411 /nfs/dbraw/zinc/10/34/11/553103411.db2.gz KXSHAHXSXGJWAQ-TWQDDVAESA-N -1 1 593.596 7.792 40 10 KKCBMM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S ZINC000009260434 553228157 /nfs/dbraw/zinc/22/81/57/553228157.db2.gz ZLWDVMXFYSHIMN-XNTDXEJSSA-N -1 1 501.347 5.091 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058848916 554368273 /nfs/dbraw/zinc/36/82/73/554368273.db2.gz NIWZFLSJNZTXND-YYULODDRSA-N -1 1 501.435 6.629 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)ccc1OC)N2 ZINC000058849125 554368394 /nfs/dbraw/zinc/36/83/94/554368394.db2.gz UKMICMQVCXXCBB-GTNJKRJXSA-N -1 1 506.624 5.730 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058849082 554368450 /nfs/dbraw/zinc/36/84/50/554368450.db2.gz SZRBEUXTGIOTIL-ANSQWYIGSA-N -1 1 515.462 7.019 40 10 KKCBMM COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000058849431 554368835 /nfs/dbraw/zinc/36/88/35/554368835.db2.gz VKBKVECCPQPBDF-LZCXECNNSA-N -1 1 506.580 5.029 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058849748 554369400 /nfs/dbraw/zinc/36/94/00/554369400.db2.gz MJWDXFOSANIBON-ANSQWYIGSA-N -1 1 515.462 6.938 40 10 KKCBMM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058849800 554369455 /nfs/dbraw/zinc/36/94/55/554369455.db2.gz XLKFRUNJHSOESC-OREGWCPLSA-N -1 1 504.608 5.418 40 10 KKCBMM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)cc(Cl)c1O ZINC000059198148 554384466 /nfs/dbraw/zinc/38/44/66/554384466.db2.gz XUNALLSTKXWLEA-SDQBBNPISA-N -1 1 500.530 5.077 40 10 KKCBMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000100927573 554524772 /nfs/dbraw/zinc/52/47/72/554524772.db2.gz RSSSKGJBNDPWAV-LGUFXXKBSA-N -1 1 612.114 8.115 40 10 KKCBMM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000100931056 554527202 /nfs/dbraw/zinc/52/72/02/554527202.db2.gz AEJIITNPNUARQU-KOEQRZSOSA-N -1 1 517.010 6.013 40 10 KKCBMM COc1cncnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1 ZINC000101123748 554644067 /nfs/dbraw/zinc/64/40/67/554644067.db2.gz RIKYASOGEZGRBW-OGLMXYFKSA-N -1 1 598.729 5.472 40 10 KKCBMM COc1cncnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1 ZINC000101123748 554644069 /nfs/dbraw/zinc/64/40/69/554644069.db2.gz RIKYASOGEZGRBW-OGLMXYFKSA-N -1 1 598.729 5.472 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000101621342 554809285 /nfs/dbraw/zinc/80/92/85/554809285.db2.gz UOLWZIMYQRYRMN-DJKKODMXSA-N -1 1 558.841 5.040 40 10 KKCBMM COC(=O)[C@H](Cc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183533 571376201 /nfs/dbraw/zinc/37/62/01/571376201.db2.gz AJOHJTTUNAQXBF-IYCHMQCGSA-N -1 1 577.237 5.986 40 10 KKCBMM COc1ccc(OC)c(N=Nc2cc(OC)c(NN=C3C(=O)Nc4ccccc4C3=O)cc2Cc2ccccc2C(=O)[O-])c1 ZINC000104389565 571379983 /nfs/dbraw/zinc/37/99/83/571379983.db2.gz KXSHAHXSXGJWAQ-XGMUGIETSA-N -1 1 593.596 7.792 40 10 KKCBMM Nc1ccc(-c2ccc(N=Nc3c(O)c4ccc(NC(=O)c5ccccc5)cc4cc3S(=O)(=O)[O-])cc2)cc1 ZINC000104389138 571380022 /nfs/dbraw/zinc/38/00/22/571380022.db2.gz VQZBKUMVTCJOES-KARKAFJISA-N -1 1 538.585 6.709 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649048 571382790 /nfs/dbraw/zinc/38/27/90/571382790.db2.gz DVGPATGQPKGVJG-PYYUSEHKSA-N -1 1 583.666 6.810 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000104649915 571383130 /nfs/dbraw/zinc/38/31/30/571383130.db2.gz VFXZXPPFBQCPDR-LZCXECNNSA-N -1 1 525.468 6.393 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1 ZINC000104650090 571383145 /nfs/dbraw/zinc/38/31/45/571383145.db2.gz IEOFKPRSQPSHBA-GLDPYIMESA-N -1 1 516.406 6.529 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649955 571383174 /nfs/dbraw/zinc/38/31/74/571383174.db2.gz JTRJAIAEVPRVSA-VKIDHGPPSA-N -1 1 555.494 6.402 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c(OC)c1 ZINC000104650570 571383309 /nfs/dbraw/zinc/38/33/09/571383309.db2.gz NNFYVVCEYQRKHZ-ANSQWYIGSA-N -1 1 541.467 6.094 40 10 KKCBMM Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000150368286 571465368 /nfs/dbraw/zinc/46/53/68/571465368.db2.gz AXFHOEHARHKREM-NKHVPTTDSA-N -1 1 656.827 7.488 40 10 KKCBMM O=C([O-])c1ccc(COc2c(I)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2I)cc1 ZINC000150381584 571467130 /nfs/dbraw/zinc/46/71/30/571467130.db2.gz QNNFKEQCZBDCBW-VCHYOVAHSA-N -1 1 710.287 5.004 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1[N-]S(C)(=O)=O ZINC000225473198 571843089 /nfs/dbraw/zinc/84/30/89/571843089.db2.gz NHUXYZFWZYHOEJ-SXOMAYOGSA-N -1 1 563.749 5.271 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc43)c2C)cc1[N-]S(C)(=O)=O ZINC000225478471 571848657 /nfs/dbraw/zinc/84/86/57/571848657.db2.gz BFBSIXBWZUYCQO-IOWSJCHKSA-N -1 1 597.766 6.200 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479329 571849583 /nfs/dbraw/zinc/84/95/83/571849583.db2.gz HXVCDNHPJWLRHL-NSOVKSMOSA-N -1 1 561.733 5.355 40 10 KKCBMM CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225479772 571849965 /nfs/dbraw/zinc/84/99/65/571849965.db2.gz OEMINCLPDDPBPH-FQLXRVMXSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480114 571850557 /nfs/dbraw/zinc/85/05/57/571850557.db2.gz PXSAYYACWBEFRP-SXOMAYOGSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225483127 571853803 /nfs/dbraw/zinc/85/38/03/571853803.db2.gz TYOPADAZRTVFPF-WDYNHAJCSA-N -1 1 575.760 5.663 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408533190 572182811 /nfs/dbraw/zinc/18/28/11/572182811.db2.gz XOEYCUJUPJPSMU-IUXPMGMMSA-N -1 1 541.876 5.316 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408537579 572195121 /nfs/dbraw/zinc/19/51/21/572195121.db2.gz FVKCXGZRTCPHMG-UHFFFAOYSA-N -1 1 557.455 5.464 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539210 572201548 /nfs/dbraw/zinc/20/15/48/572201548.db2.gz FUIUMBRLHWABIJ-ZVHZXABRSA-N -1 1 586.529 6.503 40 10 KKCBMM CCOc1cc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539592 572202496 /nfs/dbraw/zinc/20/24/96/572202496.db2.gz IIRBJGHZWULKRM-ZVHZXABRSA-N -1 1 542.078 6.394 40 10 KKCBMM O=C(COc1c(Cl)cc(C=C2SC(=S)[N-]C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000408554004 572241468 /nfs/dbraw/zinc/24/14/68/572241468.db2.gz XZOSZSSBASZJQT-LHHJGKSTSA-N -1 1 508.235 5.807 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)[O-])n1 ZINC000408632225 572288624 /nfs/dbraw/zinc/28/86/24/572288624.db2.gz OVKWZXIWBDIVLL-YUMHPJSZSA-N -1 1 557.075 7.426 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])n1 ZINC000408633059 572289677 /nfs/dbraw/zinc/28/96/77/572289677.db2.gz VOOIDGQCEYZHIK-NHDPSOOVSA-N -1 1 606.873 6.364 40 10 KKCBMM CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Br)c1[O-] ZINC000408903410 1070186348 /nfs/dbraw/zinc/18/63/48/1070186348.db2.gz XHKBEHDKEYKFFV-UKTHLTGXSA-N -1 1 515.248 5.722 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409192119 1070609916 /nfs/dbraw/zinc/60/99/16/1070609916.db2.gz ANUPGILZJBLISL-VCHYOVAHSA-N -1 1 558.841 5.040 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000409328875 1070830451 /nfs/dbraw/zinc/83/04/51/1070830451.db2.gz BRQXNPDQZXESDD-SXGWCWSVSA-N -1 1 531.824 5.411 40 10 KKCBMM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O ZINC000408953311 1071397668 /nfs/dbraw/zinc/39/76/68/1071397668.db2.gz PQYFPIILQIRLAE-NKVSQWTQSA-N -1 1 555.856 5.942 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408995067 1071555323 /nfs/dbraw/zinc/55/53/23/1071555323.db2.gz ILFKIFUCKZOYSS-SXDGJLEOSA-N -1 1 520.676 5.817 40 10 KKCBMM Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4SC(=S)[N-]C4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408988078 1071609171 /nfs/dbraw/zinc/60/91/71/1071609171.db2.gz CLBKSFWFWDZSMK-NHDPSOOVSA-N -1 1 564.695 6.405 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OC(=O)c2ccc(F)cc2)cc1 ZINC000408987487 1071613452 /nfs/dbraw/zinc/61/34/52/1071613452.db2.gz OWJJFCSXGMMLOH-UHFFFAOYSA-N -1 1 574.612 6.625 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC4CSC4)c2)N3)c(OC)c1 ZINC000409002429 1071640776 /nfs/dbraw/zinc/64/07/76/1071640776.db2.gz UPJSFWHLQLTCLF-CTVOUCONSA-N -1 1 550.702 5.825 40 10 KKCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000409002196 1071641788 /nfs/dbraw/zinc/64/17/88/1071641788.db2.gz YXKRLPQEJXEMCX-GIJQJNRQSA-N -1 1 803.210 6.075 40 10 KKCBMM O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1Cl ZINC000408772733 1071772974 /nfs/dbraw/zinc/77/29/74/1071772974.db2.gz FKVQUWRCLGNGQU-NTEUORMPSA-N -1 1 521.765 5.436 40 10 KKCBMM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c1 ZINC000408788263 1071899583 /nfs/dbraw/zinc/89/95/83/1071899583.db2.gz DGWDQHFPERIRMQ-CIAFOILYSA-N -1 1 612.445 5.017 40 10 KKCBMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409047742 1071977834 /nfs/dbraw/zinc/97/78/34/1071977834.db2.gz PHWOKEOTCGXKMA-UHFFFAOYSA-N -1 1 565.070 5.012 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409342313 1072449045 /nfs/dbraw/zinc/44/90/45/1072449045.db2.gz BMUQGLRYHSHQRM-NSIKDUERSA-N -1 1 505.293 5.657 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409125225 1072461272 /nfs/dbraw/zinc/46/12/72/1072461272.db2.gz CPWSFHYHMHNSKZ-LPYMAVHISA-N -1 1 613.450 5.730 40 10 KKCBMM CCCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000409337806 1072491043 /nfs/dbraw/zinc/49/10/43/1072491043.db2.gz WKDVMRZZEBCWKN-UHFFFAOYSA-N -1 1 566.702 7.234 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409148671 1072641662 /nfs/dbraw/zinc/64/16/62/1072641662.db2.gz ZNYYUYSOKWNLAR-HZHRSRAPSA-N -1 1 579.005 5.077 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409386947 1072684506 /nfs/dbraw/zinc/68/45/06/1072684506.db2.gz OXIKHVCXZGXCSX-CIAFOILYSA-N -1 1 595.471 5.129 40 10 KKCBMM COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000409401403 1072753909 /nfs/dbraw/zinc/75/39/09/1072753909.db2.gz YCJIVKQUSMBAKH-ANYBSYGZSA-N -1 1 539.591 6.059 40 10 KKCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409185299 1072772092 /nfs/dbraw/zinc/77/20/92/1072772092.db2.gz WDOSYILONVDMCC-SFQUDFHCSA-N -1 1 557.411 5.111 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409192086 1072857399 /nfs/dbraw/zinc/85/73/99/1072857399.db2.gz UOSCSHJLBIGQDG-WGOQTCKBSA-N -1 1 598.662 5.683 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409190440 1072870930 /nfs/dbraw/zinc/87/09/30/1072870930.db2.gz NJTUPLUYRWPIFQ-RRAHZORUSA-N -1 1 569.642 6.341 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1 ZINC000409189437 1072875797 /nfs/dbraw/zinc/87/57/97/1072875797.db2.gz GOWQIGPJXFPEOB-GZTJUZNOSA-N -1 1 501.010 5.082 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000409188695 1072880417 /nfs/dbraw/zinc/88/04/17/1072880417.db2.gz KADVPWPOODBMDG-WGOQTCKBSA-N -1 1 586.069 5.856 40 10 KKCBMM O=S(=O)([N-]c1ccc(NS(=O)(=O)c2ccccc2)cc1C(O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004773099 552481530 /nfs/dbraw/zinc/48/15/30/552481530.db2.gz GQGLVKQECAALNS-UHFFFAOYSA-N -1 1 570.692 5.572 40 10 KKCBMM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000016312064 553559984 /nfs/dbraw/zinc/55/99/84/553559984.db2.gz JSJWZSMVFWBUCJ-OVVQPSECSA-N -1 1 510.619 5.976 40 10 KKCBMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2N(Cc3ccc(N(C)C)cc3)CCCN2Cc2ccc(N(C)C)cc2)cc1 ZINC000019325748 553613453 /nfs/dbraw/zinc/61/34/53/553613453.db2.gz DYGFAZJMTPSTDY-UHFFFAOYSA-N -1 1 597.829 6.335 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2 ZINC000058849134 554368312 /nfs/dbraw/zinc/36/83/12/554368312.db2.gz UBMYSEGYEYWGIH-VKIDHGPPSA-N -1 1 506.624 5.730 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c(OC)c1 ZINC000058849315 554368803 /nfs/dbraw/zinc/36/88/03/554368803.db2.gz UKZSENZSAAUEDD-LZCXECNNSA-N -1 1 507.568 5.239 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849180 554368890 /nfs/dbraw/zinc/36/88/90/554368890.db2.gz HBFJBERWZKXWGS-ASHZAFPQSA-N -1 1 521.595 5.629 40 10 KKCBMM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000059104301 554379697 /nfs/dbraw/zinc/37/96/97/554379697.db2.gz RZPBVZPAUHNEHW-ZVBGSRNCSA-N -1 1 517.538 5.284 40 10 KKCBMM CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000059136162 554382368 /nfs/dbraw/zinc/38/23/68/554382368.db2.gz RWQDNBDROSLKSX-CPNJWEJPSA-N -1 1 520.538 5.173 40 10 KKCBMM COc1cc(C=C2SC(Nc3ccc(C)c(Cl)c3)=NC2=O)c(Br)c(Br)c1[O-] ZINC000103564033 555450234 /nfs/dbraw/zinc/45/02/34/555450234.db2.gz AUOPFBLIANZFJN-MLPAPPSSSA-N -1 1 532.641 5.970 40 10 KKCBMM Cc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)C4=O)o3)[nH]c2c1 ZINC000103846167 571363258 /nfs/dbraw/zinc/36/32/58/571363258.db2.gz NCSZBKZQARVTKP-AFUMVMLFSA-N -1 1 578.694 6.750 40 10 KKCBMM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000103919169 571369570 /nfs/dbraw/zinc/36/95/70/571369570.db2.gz WLFBZNLHKKJWLV-ULJHMMPZSA-N -1 1 532.651 5.381 40 10 KKCBMM CC(=O)C(=NNc1ccc(-c2nc3ccc(C)c(S(=O)(=O)[O-])c3s2)cc1)C(=O)Nc1ccccc1 ZINC000104214240 571376990 /nfs/dbraw/zinc/37/69/90/571376990.db2.gz BTNCTWUHNXFUEN-BOGUOMQRSA-N -1 1 508.581 6.030 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)c(OC)c1 ZINC000104649495 571382983 /nfs/dbraw/zinc/38/29/83/571382983.db2.gz XIWYLZNTPBXPLT-BALWLHIASA-N -1 1 552.649 5.357 40 10 KKCBMM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104649514 571383031 /nfs/dbraw/zinc/38/30/31/571383031.db2.gz RLYATAFUASTUAK-DDFCPOBKSA-N -1 1 550.677 6.129 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000104650548 571383326 /nfs/dbraw/zinc/38/33/26/571383326.db2.gz GQUZTUYBSKBYGW-ANSQWYIGSA-N -1 1 525.468 6.475 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000104857423 571386838 /nfs/dbraw/zinc/38/68/38/571386838.db2.gz PMNKACCZACABPC-GIDUJCDVSA-N -1 1 552.242 5.674 40 10 KKCBMM Cc1ccccc1N1C(=O)C(=Cc2cc(I)cc(I)c2[O-])C(=O)N(c2ccccc2C)C1=O ZINC000164792074 571551090 /nfs/dbraw/zinc/55/10/90/571551090.db2.gz GTVARARMERBKGV-UHFFFAOYSA-N -1 1 664.237 5.802 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225478912 571849168 /nfs/dbraw/zinc/84/91/68/571849168.db2.gz AGAVMSARTKQLHK-SXOMAYOGSA-N -1 1 547.706 5.046 40 10 KKCBMM COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225481528 571852134 /nfs/dbraw/zinc/85/21/34/571852134.db2.gz NIOAVDBXIOKFDZ-WUFINQPMSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225482180 571853047 /nfs/dbraw/zinc/85/30/47/571853047.db2.gz DTIUMPALDFIDPV-FQLXRVMXSA-N -1 1 590.775 5.112 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483386 571853882 /nfs/dbraw/zinc/85/38/82/571853882.db2.gz QUYQFUIKLBKFMG-MFMCTBQISA-N -1 1 589.787 5.972 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483962 571854844 /nfs/dbraw/zinc/85/48/44/571854844.db2.gz CZBJOAHOZPGQIY-WUFINQPMSA-N -1 1 596.178 6.008 40 10 KKCBMM CCc1nnc(NC(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3=O)cc2)s1 ZINC000408535191 572187890 /nfs/dbraw/zinc/18/78/90/572187890.db2.gz XVRMBHILIMZQPQ-IMRQLAEWSA-N -1 1 566.731 6.539 40 10 KKCBMM Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000408535129 572187919 /nfs/dbraw/zinc/18/79/19/572187919.db2.gz XRAYZVFWMDWDGX-JDCMOKTRSA-N -1 1 580.754 6.351 40 10 KKCBMM COc1cc(COc2c(Cl)cc(C=C3SC(=S)[N-]C3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408539629 572202859 /nfs/dbraw/zinc/20/28/59/572202859.db2.gz IXABCHQTTGTDMW-WSDLNYQXSA-N -1 1 532.470 6.649 40 10 KKCBMM CCOc1cc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OCC)ccc1OCc1ccccc1 ZINC000408540448 572205838 /nfs/dbraw/zinc/20/58/38/572205838.db2.gz RZCBUFUCLLJUPI-MFKUBSTISA-N -1 1 600.556 6.893 40 10 KKCBMM O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c3ccccc32)o1 ZINC000408541076 572207519 /nfs/dbraw/zinc/20/75/19/572207519.db2.gz DOSIRFCMARDJRC-MHWRWJLKSA-N -1 1 540.384 5.119 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408552941 572239543 /nfs/dbraw/zinc/23/95/43/572239543.db2.gz SOLOIYOIQSEFHH-FRKPEAEDSA-N -1 1 562.294 5.661 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])n1 ZINC000408630495 572286153 /nfs/dbraw/zinc/28/61/53/572286153.db2.gz AMXHNXKYYADWQF-YDZHTSKRSA-N -1 1 524.046 5.825 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)[O-])n2)c1 ZINC000408631616 572287673 /nfs/dbraw/zinc/28/76/73/572287673.db2.gz GAHHAJSHCPGOHY-QRQIAZFYSA-N -1 1 552.656 6.781 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[O-])n1 ZINC000408633090 572289682 /nfs/dbraw/zinc/28/96/82/572289682.db2.gz VWEONMICAFHYLE-LSFURLLWSA-N -1 1 524.986 5.488 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)[O-])n2)c1 ZINC000408634271 572291231 /nfs/dbraw/zinc/29/12/31/572291231.db2.gz SZMAOBLBNVABBF-UUYOSTAYSA-N -1 1 555.454 5.877 40 10 KKCBMM Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408635206 572292297 /nfs/dbraw/zinc/29/22/97/572292297.db2.gz YCFUUCIVKYKIMM-JMIUGGIZSA-N -1 1 503.386 6.543 40 10 KKCBMM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2I)cc1 ZINC000408776586 1069882695 /nfs/dbraw/zinc/88/26/95/1069882695.db2.gz WKFHDUWBMSMESZ-MHWRWJLKSA-N -1 1 653.281 5.707 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000408994061 1070369973 /nfs/dbraw/zinc/36/99/73/1070369973.db2.gz FLBSMUDPSUDMFW-CTVOUCONSA-N -1 1 534.703 6.125 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(=O)c1cccc2ccccc21 ZINC000408895458 1070844978 /nfs/dbraw/zinc/84/49/78/1070844978.db2.gz MWIRLZLCDCNONF-UNOMPAQXSA-N -1 1 514.422 5.709 40 10 KKCBMM O=C1/C(=C\c2ccc([O-])c(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1 ZINC000409338584 1070861217 /nfs/dbraw/zinc/86/12/17/1070861217.db2.gz MORPTZQHFHLDIY-MKMNVTDBSA-N -1 1 505.640 5.976 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385290 1070902570 /nfs/dbraw/zinc/90/25/70/1070902570.db2.gz JAOYYGIGSQDZEC-DEDYPNTBSA-N -1 1 533.675 5.181 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc43)c(Br)c2)C(=O)[N-]C1=S ZINC000408910602 1071067357 /nfs/dbraw/zinc/06/73/57/1071067357.db2.gz KXPYXHYJNAFFAX-RQZCQDPDSA-N -1 1 560.267 5.200 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000408991165 1071582640 /nfs/dbraw/zinc/58/26/40/1071582640.db2.gz ZIXVFWPDWVERMX-UHFFFAOYSA-N -1 1 612.730 7.783 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408999821 1071652635 /nfs/dbraw/zinc/65/26/35/1071652635.db2.gz SLXODSFEDCLZGL-AWNIVKPZSA-N -1 1 584.138 6.595 40 10 KKCBMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccco1 ZINC000409057331 1071993517 /nfs/dbraw/zinc/99/35/17/1071993517.db2.gz KNFPCSIFIHVGET-UHFFFAOYSA-N -1 1 576.609 6.087 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384616 1072698393 /nfs/dbraw/zinc/69/83/93/1072698393.db2.gz DUDJPQYEFBJWKK-DEDYPNTBSA-N -1 1 533.675 5.181 40 10 KKCBMM CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=S)N(CC)C3=O)c2-c2ccccc2)cc1 ZINC000409392525 1072725757 /nfs/dbraw/zinc/72/57/57/1072725757.db2.gz QAPHFABYJSEHCI-XHPQRKPJSA-N -1 1 549.652 5.635 40 10 KKCBMM CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C(=O)[N-]C1=S ZINC000409389795 1072731436 /nfs/dbraw/zinc/73/14/36/1072731436.db2.gz AKFDOPOYLKVKLX-OEAKJJBVSA-N -1 1 538.467 5.082 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409400105 1072746760 /nfs/dbraw/zinc/74/67/60/1072746760.db2.gz OVVGVHGYGRCVMH-GTWSWNCMSA-N -1 1 513.597 6.288 40 10 KKCBMM COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409183376 1072784039 /nfs/dbraw/zinc/78/40/39/1072784039.db2.gz BIQRZYBZMKLNSW-WOJGMQOQSA-N -1 1 557.411 5.111 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OCC ZINC000409191790 1072859213 /nfs/dbraw/zinc/85/92/13/1072859213.db2.gz NJJWAWATBMMERD-LFVJCYFKSA-N -1 1 593.032 5.467 40 10 KKCBMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002594144 1073200544 /nfs/dbraw/zinc/20/05/44/1073200544.db2.gz QXSZVQWJAORQKV-OEAKJJBVSA-N -1 1 504.036 6.672 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849010 554368248 /nfs/dbraw/zinc/36/82/48/554368248.db2.gz SISIHFNHRXYDRC-GNBJCERTSA-N -1 1 507.568 5.239 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000058848921 554368262 /nfs/dbraw/zinc/36/82/62/554368262.db2.gz GYZJSMYBKWCVCJ-ATLLOTDBSA-N -1 1 501.435 6.629 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000058849002 554368385 /nfs/dbraw/zinc/36/83/85/554368385.db2.gz ORJWWIAVWUFZTG-ASHZAFPQSA-N -1 1 522.623 5.348 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c(OC)c1 ZINC000058849334 554368792 /nfs/dbraw/zinc/36/87/92/554368792.db2.gz UNVAASNARFJGPJ-CTVOUCONSA-N -1 1 518.679 6.629 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849185 554368852 /nfs/dbraw/zinc/36/88/52/554368852.db2.gz JTCDKKHONMTVDE-CTVOUCONSA-N -1 1 502.680 7.010 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000058849739 554369389 /nfs/dbraw/zinc/36/93/89/554369389.db2.gz HEXVEVKYCMFUHE-GNBJCERTSA-N -1 1 515.462 6.938 40 10 KKCBMM COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1OC ZINC000058850009 554369514 /nfs/dbraw/zinc/36/95/14/554369514.db2.gz VORSIOGBUMBPCP-LZCXECNNSA-N -1 1 507.568 5.239 40 10 KKCBMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C(=O)c3ccccc3)C(=O)c3ccccc3)c(O)c3ccccc23)cc1 ZINC000100999530 554552062 /nfs/dbraw/zinc/55/20/62/554552062.db2.gz NABUYMHILPEHEW-UHFFFAOYSA-N -1 1 535.621 6.504 40 10 KKCBMM O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccc(Br)cc1 ZINC000101082503 554579408 /nfs/dbraw/zinc/57/94/08/554579408.db2.gz FQPAECUBUMVQKD-UHFFFAOYSA-N -1 1 520.404 6.635 40 10 KKCBMM COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2ccc(Br)cc2)cc1 ZINC000020289004 571360612 /nfs/dbraw/zinc/36/06/12/571360612.db2.gz MASRDELAVRURHR-JCMHNJIXSA-N -1 1 507.344 5.503 40 10 KKCBMM O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000103846263 571363480 /nfs/dbraw/zinc/36/34/80/571363480.db2.gz UHLASLSZKCEQAM-WOJGMQOQSA-N -1 1 527.385 5.102 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)[O-])cc1 ZINC000103852799 571365638 /nfs/dbraw/zinc/36/56/38/571365638.db2.gz VANOPZGJNOCWLL-WOJGMQOQSA-N -1 1 599.434 5.095 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000104649166 571382862 /nfs/dbraw/zinc/38/28/62/571382862.db2.gz VZGFFVHGXKQFDW-QSOCVKKASA-N -1 1 597.693 7.200 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)c(OC)c1 ZINC000104649509 571382953 /nfs/dbraw/zinc/38/29/53/571382953.db2.gz MEWWEWYGNCPAPJ-ASHZAFPQSA-N -1 1 537.594 5.248 40 10 KKCBMM COc1cc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000104650143 571383182 /nfs/dbraw/zinc/38/31/82/571383182.db2.gz WQHJREOVVFUCRH-LZCXECNNSA-N -1 1 537.594 5.248 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1 ZINC000104650095 571383206 /nfs/dbraw/zinc/38/32/06/571383206.db2.gz BRPJCQWVLQJNJO-GLDPYIMESA-N -1 1 526.958 5.784 40 10 KKCBMM O=C(COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000106884220 571418468 /nfs/dbraw/zinc/41/84/68/571418468.db2.gz ILSVFBHOOFHDIS-GIDUJCDVSA-N -1 1 518.241 5.262 40 10 KKCBMM CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(Br)c(Br)c1[O-] ZINC000113831229 571442515 /nfs/dbraw/zinc/44/25/15/571442515.db2.gz KXDLBXPOBGVDJZ-NTUHNPAUSA-N -1 1 533.238 5.861 40 10 KKCBMM Cc1ccc(N2C(=O)C(=Cc3cc(I)cc(I)c3[O-])C(=O)N(c3ccc(C)cc3)C2=S)cc1 ZINC000164803331 571551115 /nfs/dbraw/zinc/55/11/15/571551115.db2.gz DERIHJBQPVJLNN-UHFFFAOYSA-N -1 1 680.305 5.967 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225472251 571842411 /nfs/dbraw/zinc/84/24/11/571842411.db2.gz XCRUSCUGJQLYCK-SXOMAYOGSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1[N-]S(C)(=O)=O ZINC000225473266 571843161 /nfs/dbraw/zinc/84/31/61/571843161.db2.gz KMXAKVYJRISFHL-SXOMAYOGSA-N -1 1 598.194 5.924 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225475966 571846161 /nfs/dbraw/zinc/84/61/61/571846161.db2.gz AKDGOTFRWSOPQY-RRPNLBNLSA-N -1 1 598.150 5.405 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1[N-]S(C)(=O)=O ZINC000225475897 571846230 /nfs/dbraw/zinc/84/62/30/571846230.db2.gz AKDGOTFRWSOPQY-SVBPBHIXSA-N -1 1 598.150 5.405 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479574 571849989 /nfs/dbraw/zinc/84/99/89/571849989.db2.gz ZKFDRJFXWVTHGB-KAYWLYCHSA-N -1 1 615.703 6.065 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1[N-]S(C)(=O)=O ZINC000225479920 571850448 /nfs/dbraw/zinc/85/04/48/571850448.db2.gz OGXYUAWNXVASAT-SVBPBHIXSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1[N-]S(C)(=O)=O ZINC000225480030 571850577 /nfs/dbraw/zinc/85/05/77/571850577.db2.gz OGXYUAWNXVASAT-KAYWLYCHSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480681 571850824 /nfs/dbraw/zinc/85/08/24/571850824.db2.gz YXVRFBYEQBCBIV-SVBPBHIXSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225481493 571852027 /nfs/dbraw/zinc/85/20/27/571852027.db2.gz NIOAVDBXIOKFDZ-IZLXSDGUSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482484 571852948 /nfs/dbraw/zinc/85/29/48/571852948.db2.gz LRNNRJIHCSSAAB-KAYWLYCHSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484275 571854595 /nfs/dbraw/zinc/85/45/95/571854595.db2.gz XJCNDSVGQGMRMR-WUFINQPMSA-N -1 1 612.177 5.708 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483923 571854841 /nfs/dbraw/zinc/85/48/41/571854841.db2.gz CZBJOAHOZPGQIY-IZLXSDGUSA-N -1 1 596.178 6.008 40 10 KKCBMM CC(C)(C)c1ccc(C=C2N=C(SCC(=O)Nc3cc(=O)n(-c4ccccc4)[n-]3)N(c3ccccc3)C2=O)cc1 ZINC000261526725 572113084 /nfs/dbraw/zinc/11/30/84/572113084.db2.gz IBUNTADVXAFODB-BWAHOGKJSA-N -1 1 551.672 5.328 40 10 KKCBMM CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4)c3=O)cc2)cc1 ZINC000408526327 572157695 /nfs/dbraw/zinc/15/76/95/572157695.db2.gz AZMRRZYDXDLQLA-JLPGSUDCSA-N -1 1 569.481 5.676 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br ZINC000408529105 572166706 /nfs/dbraw/zinc/16/67/06/572166706.db2.gz GXKANGGHHYQZOD-HAHDFKILSA-N -1 1 583.368 7.706 40 10 KKCBMM COc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Br)c(C)c4C)c3=O)cc2)cc1 ZINC000408531696 572176994 /nfs/dbraw/zinc/17/69/94/572176994.db2.gz LFOHGVQGSWIIBA-HAHDFKILSA-N -1 1 569.481 5.594 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)[O-])n2)c1 ZINC000408630714 572286407 /nfs/dbraw/zinc/28/64/07/572286407.db2.gz AMMXIWSREBKQBU-YVNNLAQVSA-N -1 1 528.993 5.907 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)NC2=S)cc1Cl ZINC000408820068 1069992902 /nfs/dbraw/zinc/99/29/02/1069992902.db2.gz SXZICELSKQZTAN-MHWRWJLKSA-N -1 1 501.347 5.091 40 10 KKCBMM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(O)c(I)c1 ZINC000408954761 1071389507 /nfs/dbraw/zinc/38/95/07/1071389507.db2.gz SLMDZADWZFRXTC-DNTJNYDQSA-N -1 1 694.307 5.736 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccc1OC(=O)c1cccc(Br)c1 ZINC000408986820 1071486059 /nfs/dbraw/zinc/48/60/59/1071486059.db2.gz NGIUONVLFFXTOS-UHFFFAOYSA-N -1 1 635.518 7.248 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1C ZINC000408987720 1071610772 /nfs/dbraw/zinc/61/07/72/1071610772.db2.gz BSGRVYBHWKQVLS-KEBDBYFISA-N -1 1 738.341 5.621 40 10 KKCBMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OCc1cccc(C)c1 ZINC000409026103 1071707172 /nfs/dbraw/zinc/70/71/72/1071707172.db2.gz GHBLTLGLESFXSB-UHFFFAOYSA-N -1 1 586.692 7.162 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)c(C)c1 ZINC000408789089 1071897013 /nfs/dbraw/zinc/89/70/13/1071897013.db2.gz JCTGMOLJDWXNMN-UDWIEESQSA-N -1 1 612.445 5.017 40 10 KKCBMM CCCCCOc1ccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000409337767 1072491078 /nfs/dbraw/zinc/49/10/78/1072491078.db2.gz VEWUDELFMWAHAA-UHFFFAOYSA-N -1 1 552.675 6.844 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000409147137 1072577235 /nfs/dbraw/zinc/57/72/35/1072577235.db2.gz UYVDPIHZQLIWLF-LPYMAVHISA-N -1 1 702.352 5.948 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409378158 1072677805 /nfs/dbraw/zinc/67/78/05/1072677805.db2.gz MVJWHXQTHFOEIS-CIAFOILYSA-N -1 1 551.020 5.020 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409384533 1072697911 /nfs/dbraw/zinc/69/79/11/1072697911.db2.gz DFDDSOPCOSSFIN-XDHOZWIPSA-N -1 1 598.544 5.635 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409381083 1072715105 /nfs/dbraw/zinc/71/51/05/1072715105.db2.gz DVYYQFWAAYGTFM-LPYMAVHISA-N -1 1 609.498 5.519 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409400186 1072746641 /nfs/dbraw/zinc/74/66/41/1072746641.db2.gz QASYBUADUFMBSK-XYGWBWBKSA-N -1 1 532.427 6.441 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409401728 1072779355 /nfs/dbraw/zinc/77/93/55/1072779355.db2.gz ZGURHVZSABMNIB-PKAZHMFMSA-N -1 1 508.534 5.043 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409194623 1072842601 /nfs/dbraw/zinc/84/26/01/1072842601.db2.gz QHKSYJLYBANXKC-JVWAILMASA-N -1 1 569.614 5.342 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409192508 1072854488 /nfs/dbraw/zinc/85/44/88/1072854488.db2.gz DLLSOVYSVILGTC-WPWMEQJKSA-N -1 1 551.624 5.203 40 10 KKCBMM CCOc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccc(F)cc1 ZINC000409206082 1072894006 /nfs/dbraw/zinc/89/40/06/1072894006.db2.gz VATAVOROIDBUQC-UHFFFAOYSA-N -1 1 618.665 7.023 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 ZINC000409241895 1073098941 /nfs/dbraw/zinc/09/89/41/1073098941.db2.gz ZFURFHRVRKWIDO-PXNMLYILSA-N -1 1 572.300 5.035 40 10 KKCBMM O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000001237532 1073199143 /nfs/dbraw/zinc/19/91/43/1073199143.db2.gz WZPBBRNJWLJDMV-QJOMJCCJSA-N -1 1 506.071 6.260 40 10 KKCBMM CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)cc2)cc1 ZINC000014920974 1073203573 /nfs/dbraw/zinc/20/35/73/1073203573.db2.gz GMGHFBZHJDPCPP-JLPGSUDCSA-N -1 1 511.003 5.258 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409257541 1073251297 /nfs/dbraw/zinc/25/12/97/1073251297.db2.gz SQSCQDHTSUHIDB-ZDLGFXPLSA-N -1 1 535.485 5.279 40 10 KKCBMM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000001421591 551668546 /nfs/dbraw/zinc/66/85/46/551668546.db2.gz YZHFWQYHQJBERD-HMAPJEAMSA-N -1 1 545.846 5.622 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000040942102 554291673 /nfs/dbraw/zinc/29/16/73/554291673.db2.gz ZEHVAGDNZQKFQK-UUASQNMZSA-N -1 1 505.242 5.832 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 ZINC000058849824 554369433 /nfs/dbraw/zinc/36/94/33/554369433.db2.gz VTUDBPZJUZBTQK-ASHZAFPQSA-N -1 1 521.595 5.548 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2 ZINC000058849827 554369509 /nfs/dbraw/zinc/36/95/09/554369509.db2.gz LLHXBODGFGQGCA-CTVOUCONSA-N -1 1 502.680 6.928 40 10 KKCBMM CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850033 554369699 /nfs/dbraw/zinc/36/96/99/554369699.db2.gz KJQPXVXNBHAUKA-CLCZQPDDSA-N -1 1 505.596 6.009 40 10 KKCBMM O=C1/C(=C/c2cc(I)cc(I)c2[O-])SC(=S)N1Cc1ccccc1 ZINC000100456023 554396664 /nfs/dbraw/zinc/39/66/64/554396664.db2.gz GQBQDWREMLAFRS-AUWJEWJLSA-N -1 1 579.222 5.003 40 10 KKCBMM COc1ccc(-n2[nH]c(C)c(C=C3C(=O)[N-]C(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)c2=O)cc1 ZINC000100962708 554542715 /nfs/dbraw/zinc/54/27/15/554542715.db2.gz ORJWKQPPXFXTGT-VYYCAZPPSA-N -1 1 552.631 5.029 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OCC)c(OCC)c1)N2 ZINC000104649153 571382855 /nfs/dbraw/zinc/38/28/55/571382855.db2.gz KPXGEZSMKPRZNO-DDFCPOBKSA-N -1 1 534.678 6.510 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(Br)ccc1OC)N2 ZINC000104649028 571382881 /nfs/dbraw/zinc/38/28/81/571382881.db2.gz CAEOATXMRARVQW-ANSQWYIGSA-N -1 1 541.467 6.094 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCc4ccc([N+](=O)[O-])cc4)cc2)N3)c(OC)c1 ZINC000104649522 571382972 /nfs/dbraw/zinc/38/29/72/571382972.db2.gz UAFZOINHHABGOO-QSOCVKKASA-N -1 1 613.692 6.818 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c(OC)c1 ZINC000104649432 571383029 /nfs/dbraw/zinc/38/30/29/571383029.db2.gz ATXDMHNDOKAHPL-GNBJCERTSA-N -1 1 531.461 6.638 40 10 KKCBMM CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1OCC ZINC000104650162 571383190 /nfs/dbraw/zinc/38/31/90/571383190.db2.gz HAVZCBHAFREUNS-SXDGJLEOSA-N -1 1 535.622 6.020 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1 ZINC000104650101 571383192 /nfs/dbraw/zinc/38/31/92/571383192.db2.gz DIHNPFNPKUKJPC-YZUZCNPQSA-N -1 1 526.412 5.985 40 10 KKCBMM O=C1/C(=C/c2cc(I)cc(I)c2[O-])SC(=S)N1C1CCCCC1 ZINC000113830430 571442332 /nfs/dbraw/zinc/44/23/32/571442332.db2.gz TXRKGYMTPZFGIL-QPEQYQDCSA-N -1 1 571.243 5.135 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1[N-]S(C)(=O)=O ZINC000260851220 571751449 /nfs/dbraw/zinc/75/14/49/571751449.db2.gz KMXAKVYJRISFHL-RRPNLBNLSA-N -1 1 598.194 5.924 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1[N-]S(C)(=O)=O ZINC000260851297 571752030 /nfs/dbraw/zinc/75/20/30/571752030.db2.gz NHUXYZFWZYHOEJ-KAYWLYCHSA-N -1 1 563.749 5.271 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225479133 571849096 /nfs/dbraw/zinc/84/90/96/571849096.db2.gz HGOKHUGEUDXCQC-VSGBNLITSA-N -1 1 561.733 5.355 40 10 KKCBMM CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225479808 571850051 /nfs/dbraw/zinc/85/00/51/571850051.db2.gz OEMINCLPDDPBPH-WDYNHAJCSA-N -1 1 575.760 5.609 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480538 571850945 /nfs/dbraw/zinc/85/09/45/571850945.db2.gz CJKAGEXRZTWZGL-SVBPBHIXSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1[N-]S(C)(=O)=O ZINC000225480945 571851212 /nfs/dbraw/zinc/85/12/12/571851212.db2.gz ZATDXNXITKEFNI-KAYWLYCHSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Br)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480980 571851220 /nfs/dbraw/zinc/85/12/20/571851220.db2.gz WKARQMOPCBQUHS-SVBPBHIXSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225481093 571851298 /nfs/dbraw/zinc/85/12/98/571851298.db2.gz CVAKFCNPKGDOKI-SVBPBHIXSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)c1 ZINC000225481383 571852126 /nfs/dbraw/zinc/85/21/26/571852126.db2.gz QWNLWHCGFCZXEB-WUFINQPMSA-N -1 1 577.732 5.055 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225482145 571852520 /nfs/dbraw/zinc/85/25/20/571852520.db2.gz DTIUMPALDFIDPV-URLMMPGGSA-N -1 1 590.775 5.112 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482422 571853006 /nfs/dbraw/zinc/85/30/06/571853006.db2.gz LRNNRJIHCSSAAB-SXOMAYOGSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225482588 571853496 /nfs/dbraw/zinc/85/34/96/571853496.db2.gz IANCWMBVDAAYKJ-RRPNLBNLSA-N -1 1 616.596 6.353 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225482830 571853515 /nfs/dbraw/zinc/85/35/15/571853515.db2.gz HMUUOZCLKOQRAM-VMPREFPWSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483466 571854205 /nfs/dbraw/zinc/85/42/05/571854205.db2.gz WRJKGWUDXRZEOX-IZLXSDGUSA-N -1 1 596.178 6.008 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483495 571854211 /nfs/dbraw/zinc/85/42/11/571854211.db2.gz WRJKGWUDXRZEOX-WUFINQPMSA-N -1 1 596.178 6.008 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225483889 571854636 /nfs/dbraw/zinc/85/46/36/571854636.db2.gz CZBJOAHOZPGQIY-NSOVKSMOSA-N -1 1 596.178 6.008 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccccc1Sc1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23 ZINC000226863764 572143960 /nfs/dbraw/zinc/14/39/60/572143960.db2.gz IMHDVKJKENPUFP-LGUFXXKBSA-N -1 1 656.565 8.224 40 10 KKCBMM CCCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)cc1 ZINC000408531029 572174440 /nfs/dbraw/zinc/17/44/40/572174440.db2.gz KCUVCIQTOKWPCO-BRPDVVIDSA-N -1 1 511.666 6.830 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1 ZINC000408531205 572174995 /nfs/dbraw/zinc/17/49/95/572174995.db2.gz OSWYIMCUZTYIEU-NSIKDUERSA-N -1 1 503.212 5.419 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408531654 572176421 /nfs/dbraw/zinc/17/64/21/572176421.db2.gz PVRSBMKFRRZMJZ-NVNXTCNLSA-N -1 1 562.248 5.130 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000408532187 572179220 /nfs/dbraw/zinc/17/92/20/572179220.db2.gz PXDNYHWSNLITBW-JCMHNJIXSA-N -1 1 553.482 5.894 40 10 KKCBMM Cc1cccc(NC(=O)COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)c1 ZINC000408533632 572184008 /nfs/dbraw/zinc/18/40/08/572184008.db2.gz ZPXMBRNAYMKCKN-NVNXTCNLSA-N -1 1 542.274 5.026 40 10 KKCBMM CCOc1cc(COc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1 ZINC000408541194 572207962 /nfs/dbraw/zinc/20/79/62/572207962.db2.gz YHRLPOVGVQWBHM-ZVHZXABRSA-N -1 1 512.052 6.386 40 10 KKCBMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)[O-])n2)c1 ZINC000408632197 572288424 /nfs/dbraw/zinc/28/84/24/572288424.db2.gz HXGVFHYYPVFXHD-UUYOSTAYSA-N -1 1 511.003 5.768 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000408850102 1070063554 /nfs/dbraw/zinc/06/35/54/1070063554.db2.gz GAABEKKNTIACFI-DJKKODMXSA-N -1 1 572.357 5.251 40 10 KKCBMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408855608 1070074679 /nfs/dbraw/zinc/07/46/79/1070074679.db2.gz DYVHMTOWNQRKDN-LICLKQGHSA-N -1 1 697.334 6.105 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408860259 1070077084 /nfs/dbraw/zinc/07/70/84/1070077084.db2.gz ZKOAJDMWXINWCZ-CAOOACKPSA-N -1 1 548.835 5.584 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2)C(=O)[N-]C1=S ZINC000408910433 1070201585 /nfs/dbraw/zinc/20/15/85/1070201585.db2.gz KGEISMQVMIAKIP-UUILKARUSA-N -1 1 673.097 5.038 40 10 KKCBMM Cc1cccc(COc2c(I)cc(C=C3SC(=S)[N-]C3=O)cc2I)c1 ZINC000408921725 1070229606 /nfs/dbraw/zinc/22/96/06/1070229606.db2.gz BNCWZVLOVKZVOE-NVNXTCNLSA-N -1 1 593.249 5.272 40 10 KKCBMM COc1cc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409002907 1070378262 /nfs/dbraw/zinc/37/82/62/1070378262.db2.gz CGSSSTAHMDKAFO-UHFFFAOYSA-N -1 1 622.703 6.043 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OCc2cccc3ccccc32)c1 ZINC000409178599 1070594121 /nfs/dbraw/zinc/59/41/21/1070594121.db2.gz MDSRJOZEWVCJGO-UHFFFAOYSA-N -1 1 592.699 7.998 40 10 KKCBMM Cc1ccc(COc2c(I)cc(C=C3SC(=S)[N-]C3=O)cc2I)cc1 ZINC000408890872 1070822096 /nfs/dbraw/zinc/82/20/96/1070822096.db2.gz HRXCONSVTBRXBM-NVNXTCNLSA-N -1 1 593.249 5.272 40 10 KKCBMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1 ZINC000409335105 1070855130 /nfs/dbraw/zinc/85/51/30/1070855130.db2.gz JTDPOQPWWUOHRY-UHFFFAOYSA-N -1 1 606.704 6.342 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409385335 1070903112 /nfs/dbraw/zinc/90/31/12/1070903112.db2.gz JNMPJWJJCVUJFC-LFIBNONCSA-N -1 1 574.511 5.871 40 10 KKCBMM CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000409387750 1070909813 /nfs/dbraw/zinc/90/98/13/1070909813.db2.gz QHGLLIOWEBUQOZ-CIAFOILYSA-N -1 1 595.471 5.129 40 10 KKCBMM CCN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000409393175 1070906990 /nfs/dbraw/zinc/90/69/90/1070906990.db2.gz VAUCXOOFJSPGGO-ULJHMMPZSA-N -1 1 512.034 6.111 40 10 KKCBMM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C(=O)NC1=S ZINC000409386796 1070908935 /nfs/dbraw/zinc/90/89/35/1070908935.db2.gz SAFYDRCFOMRGBI-XSFVSMFZSA-N -1 1 533.675 5.126 40 10 KKCBMM CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)[N-]C1=S ZINC000408911607 1071060029 /nfs/dbraw/zinc/06/00/29/1071060029.db2.gz ABBKSQXVNDXTKR-RQZCQDPDSA-N -1 1 560.267 5.200 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)[O-])cc4)c(I)c3)C(=O)NC2=S)cc1 ZINC000408994073 1071562268 /nfs/dbraw/zinc/56/22/68/1071562268.db2.gz FMSWUWPJHUCBLY-VXLYETTFSA-N -1 1 724.314 5.313 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 ZINC000408992846 1071570119 /nfs/dbraw/zinc/57/01/19/1071570119.db2.gz TWIGHFTZOAGTMW-YVLHZVERSA-N -1 1 521.626 5.330 40 10 KKCBMM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)NC1=S ZINC000408739798 1071601549 /nfs/dbraw/zinc/60/15/49/1071601549.db2.gz ANBFENHNSNPOJG-YBEGLDIGSA-N -1 1 545.798 5.200 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(Br)c3)C(=O)N(c3ccccc3)C2=S)cc1C ZINC000408737754 1071612546 /nfs/dbraw/zinc/61/25/46/1071612546.db2.gz GOWUSZPGWDFODG-MOSHPQCFSA-N -1 1 507.409 5.520 40 10 KKCBMM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000408753647 1071656465 /nfs/dbraw/zinc/65/64/65/1071656465.db2.gz KBDALLMTQJACAF-ANSQWYIGSA-N -1 1 514.569 6.650 40 10 KKCBMM CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(I)cc(I)c1[O-] ZINC000409033410 1071770046 /nfs/dbraw/zinc/77/00/46/1071770046.db2.gz LGIUHFZCJMCMBZ-FPYGCLRLSA-N -1 1 620.053 5.103 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OCC ZINC000409195522 1072836680 /nfs/dbraw/zinc/83/66/80/1072836680.db2.gz WCINPFAZFTZSRH-ZVHZXABRSA-N -1 1 637.085 5.865 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409190358 1072870021 /nfs/dbraw/zinc/87/00/21/1072870021.db2.gz XOJBVMALXPWQQF-JVWAILMASA-N -1 1 630.520 5.965 40 10 KKCBMM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000409189571 1072874625 /nfs/dbraw/zinc/87/46/25/1072874625.db2.gz QQDLYOCUVAAUQH-USHMODERSA-N -1 1 614.639 6.249 40 10 KKCBMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409269635 1073275697 /nfs/dbraw/zinc/27/56/97/1073275697.db2.gz KZBSYDMRDDDXDX-AUWJEWJLSA-N -1 1 548.267 5.271 40 10 KKCBMM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000019326070 553613461 /nfs/dbraw/zinc/61/34/61/553613461.db2.gz ZQENPEIMUSWXQB-UHFFFAOYSA-N -1 1 513.034 5.487 40 10 KKCBMM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)[O-])N2 ZINC000058849701 554369487 /nfs/dbraw/zinc/36/94/87/554369487.db2.gz ISPLKWRGJRMEIE-ATLLOTDBSA-N -1 1 510.999 5.674 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c(OC)c1 ZINC000058850312 554369834 /nfs/dbraw/zinc/36/98/34/554369834.db2.gz ZBCLZGLFDAKCKX-DFXHWTJYSA-N -1 1 515.006 6.124 40 10 KKCBMM CC(=Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103921133 571369710 /nfs/dbraw/zinc/36/97/10/571369710.db2.gz BRTNUWUJIHETOO-PLRJNAJWSA-N -1 1 581.683 5.333 40 10 KKCBMM COc1ccc(OC)c(N=Nc2cc(OC)c(NN=C3C(=O)Nc4ccccc4C3=O)cc2Cc2ccccc2C(=O)[O-])c1 ZINC000104389557 571380013 /nfs/dbraw/zinc/38/00/13/571380013.db2.gz KXSHAHXSXGJWAQ-KSHGJJROSA-N -1 1 593.596 7.792 40 10 KKCBMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1 ZINC000104650112 571383202 /nfs/dbraw/zinc/38/32/02/571383202.db2.gz AQVSLAZIQJABGB-RHGYRFJNSA-N -1 1 516.406 6.529 40 10 KKCBMM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000113474032 571438826 /nfs/dbraw/zinc/43/88/26/571438826.db2.gz HGKAUWMTZADKGZ-ITYLOYPMSA-N -1 1 511.607 7.069 40 10 KKCBMM CCOC(=O)[C@@H](C(C)=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000150433859 571494698 /nfs/dbraw/zinc/49/46/98/571494698.db2.gz UYHFLFYRGWPHRD-SANMLTNESA-N -1 1 635.547 5.984 40 10 KKCBMM O=C([O-])c1ccc(COc2c(Br)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2Br)cc1 ZINC000164392111 571547016 /nfs/dbraw/zinc/54/70/16/571547016.db2.gz CVOIPNIKFPDEHB-CXUHLZMHSA-N -1 1 634.277 5.459 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000206939089 571573091 /nfs/dbraw/zinc/57/30/91/571573091.db2.gz HAKOREAKMLOMHS-SXGWCWSVSA-N -1 1 529.275 5.678 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479221 571849425 /nfs/dbraw/zinc/84/94/25/571849425.db2.gz HQYHRACHLYSKDD-IZLXSDGUSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479401 571849468 /nfs/dbraw/zinc/84/94/68/571849468.db2.gz HXVCDNHPJWLRHL-WUFINQPMSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479249 571849506 /nfs/dbraw/zinc/84/95/06/571849506.db2.gz HQYHRACHLYSKDD-WUFINQPMSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480183 571850563 /nfs/dbraw/zinc/85/05/63/571850563.db2.gz PXSAYYACWBEFRP-KAYWLYCHSA-N -1 1 565.696 5.185 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480713 571850800 /nfs/dbraw/zinc/85/08/00/571850800.db2.gz YXVRFBYEQBCBIV-SXOMAYOGSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225480492 571850838 /nfs/dbraw/zinc/85/08/38/571850838.db2.gz HFOKWAXTEUPALK-KAYWLYCHSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225480425 571850873 /nfs/dbraw/zinc/85/08/73/571850873.db2.gz HFOKWAXTEUPALK-SXOMAYOGSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1[N-]S(C)(=O)=O ZINC000225480453 571850925 /nfs/dbraw/zinc/85/09/25/571850925.db2.gz HFOKWAXTEUPALK-RRPNLBNLSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480781 571851199 /nfs/dbraw/zinc/85/11/99/571851199.db2.gz YXVRFBYEQBCBIV-KAYWLYCHSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Br)c2C)cc1[N-]S(C)(=O)=O ZINC000225480872 571851225 /nfs/dbraw/zinc/85/12/25/571851225.db2.gz ZATDXNXITKEFNI-SXOMAYOGSA-N -1 1 626.602 5.809 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225483182 571853760 /nfs/dbraw/zinc/85/37/60/571853760.db2.gz TYOPADAZRTVFPF-FQLXRVMXSA-N -1 1 575.760 5.663 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1[N-]S(C)(=O)=O ZINC000225484205 571854678 /nfs/dbraw/zinc/85/46/78/571854678.db2.gz XJCNDSVGQGMRMR-NSOVKSMOSA-N -1 1 612.177 5.708 40 10 KKCBMM CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Br)c(C)c3C)c2=O)c(C)c1 ZINC000408535716 572189185 /nfs/dbraw/zinc/18/91/85/572189185.db2.gz ZVBKDFCVZIPGNK-ZHZULCJRSA-N -1 1 533.492 5.123 40 10 KKCBMM COc1cc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)NC3=O)cc2Cl)ccc1OCc1ccccc1 ZINC000408538530 572198689 /nfs/dbraw/zinc/19/86/89/572198689.db2.gz OJTJAACKDAVMEW-UHFFFAOYSA-N -1 1 543.428 5.074 40 10 KKCBMM COc1cc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OC)ccc1OCc1ccccc1 ZINC000408539618 572202918 /nfs/dbraw/zinc/20/29/18/572202918.db2.gz ITEGJXCUXAZDKG-YDZHTSKRSA-N -1 1 572.502 6.113 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408856787 1070067028 /nfs/dbraw/zinc/06/70/28/1070067028.db2.gz LLPKWLFQPYYXTP-CXUHLZMHSA-N -1 1 548.835 5.584 40 10 KKCBMM CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(OCC)c3)C2=O)cc1OC ZINC000409138802 1070562942 /nfs/dbraw/zinc/56/29/42/1070562942.db2.gz IEMMZMPGAFHWNF-YDZHTSKRSA-N -1 1 623.058 5.475 40 10 KKCBMM O=C1/C(=C\c2cc(Br)cc(I)c2[O-])C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971422 1071452521 /nfs/dbraw/zinc/45/25/21/1071452521.db2.gz OICAEMDVAMLNGI-GHXNOFRVSA-N -1 1 537.073 5.108 40 10 KKCBMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408734716 1071564193 /nfs/dbraw/zinc/56/41/93/1071564193.db2.gz ISTZKGIOQMYXCC-UHFFFAOYSA-N -1 1 528.659 7.410 40 10 KKCBMM CCc1ccccc1N1C(=O)/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C(=O)NC1=S ZINC000408993263 1071566521 /nfs/dbraw/zinc/56/65/21/1071566521.db2.gz CZKKRJARZFUJSJ-YBFXNURJSA-N -1 1 738.341 5.567 40 10 KKCBMM O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 ZINC000408772213 1071775085 /nfs/dbraw/zinc/77/50/85/1071775085.db2.gz FILVJQRGIYKLTC-YBFXNURJSA-N -1 1 527.385 5.102 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000409386327 1072687659 /nfs/dbraw/zinc/68/76/59/1072687659.db2.gz PNTWGTJIESICJU-XDHOZWIPSA-N -1 1 584.517 5.326 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409399858 1072748212 /nfs/dbraw/zinc/74/82/12/1072748212.db2.gz OAWZZBVWEQJJQZ-ONUIUJJFSA-N -1 1 510.575 5.615 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(I)c([O-])cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409186068 1072763304 /nfs/dbraw/zinc/76/33/04/1072763304.db2.gz WEGFFNGPUWNNMH-GGVRFBKHSA-N -1 1 705.574 6.096 40 10 KKCBMM C=C/C=C\C(=C/C)N1C(=O)/C(=C/c2cc(Br)c([O-])cc2O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000409183717 1072782683 /nfs/dbraw/zinc/78/26/83/1072782683.db2.gz DDVHGWHEINYGTE-GGVRFBKHSA-N -1 1 658.574 6.254 40 10 KKCBMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409400873 1072783270 /nfs/dbraw/zinc/78/32/70/1072783270.db2.gz UTLFPOBUQKIJAV-PKAZHMFMSA-N -1 1 508.534 5.043 40 10 KKCBMM Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000409234880 1073047416 /nfs/dbraw/zinc/04/74/16/1073047416.db2.gz ACUBPCAWVVZRNJ-OEAKJJBVSA-N -1 1 501.608 5.055 40 10 KKCBMM O=C(COc1ccc(Br)cc1C=C1SC(=S)[N-]C1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409264601 1073212075 /nfs/dbraw/zinc/21/20/75/1073212075.db2.gz LHADEPBOYCTMPL-TVPGTPATSA-N -1 1 518.241 5.262 40 10 KKCBMM Cc1ccc(C(=O)CC(=CC(=C2SC(=S)[N-]C2=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000016291758 553558985 /nfs/dbraw/zinc/55/89/85/553558985.db2.gz WFNCXJJOBGTFCK-GCXIQGEKSA-N -1 1 504.076 7.172 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000100054661 554195907 /nfs/dbraw/zinc/19/59/07/554195907.db2.gz ZHWKGTJKGOTAES-VCHYOVAHSA-N -1 1 535.282 6.433 40 10 KKCBMM Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000100249246 554261980 /nfs/dbraw/zinc/26/19/80/554261980.db2.gz UOLWZIMYQRYRMN-OCKHKDLRSA-N -1 1 558.841 5.040 40 10 KKCBMM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 ZINC000058848933 554368362 /nfs/dbraw/zinc/36/83/62/554368362.db2.gz PHNMZGUEGPPFLR-QLODZENZSA-N -1 1 501.435 6.629 40 10 KKCBMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c(OC)c1 ZINC000058849275 554368818 /nfs/dbraw/zinc/36/88/18/554368818.db2.gz USHWMYJPHZIBKE-GTNJKRJXSA-N -1 1 522.623 5.348 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2 ZINC000058849169 554368868 /nfs/dbraw/zinc/36/88/68/554368868.db2.gz WPUBDTFJRNDYGU-CTVOUCONSA-N -1 1 504.652 6.500 40 10 KKCBMM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000058850017 554369406 /nfs/dbraw/zinc/36/94/06/554369406.db2.gz LIYMIWPYEPUGOL-SGIRGMQISA-N -1 1 505.552 5.009 40 10 KKCBMM COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000058850007 554369411 /nfs/dbraw/zinc/36/94/11/554369411.db2.gz WAYZVGGPDTWPAR-UZINWLIJSA-N -1 1 507.568 5.239 40 10 KKCBMM Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O ZINC000100962756 554542775 /nfs/dbraw/zinc/54/27/75/554542775.db2.gz ZMEOCYXCICBVHC-ZMFRSBBQSA-N -1 1 601.501 5.783 40 10 KKCBMM COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000103875484 571368436 /nfs/dbraw/zinc/36/84/36/571368436.db2.gz AWJVPNCSGSPHSI-GZTJUZNOSA-N -1 1 557.411 5.111 40 10 KKCBMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(/N=N/c3ccc(/N=N/c4ccccc4)cc3)cc2)cc1)C(N1CC1)(N1CC1)N1CC1 ZINC000104112976 571374143 /nfs/dbraw/zinc/37/41/43/571374143.db2.gz RBVMLNMCVYVJDF-XGMUGIETSA-N -1 1 621.727 5.857 40 10 KKCBMM COC(=O)[C@H](Cc1[nH]c(N=Nc2ccc(Br)cc2)nc1N=Nc1ccc(Br)cc1)NC(C)=O ZINC000104183536 571376224 /nfs/dbraw/zinc/37/62/24/571376224.db2.gz AJOHJTTUNAQXBF-VMELAIKWSA-N -1 1 577.237 5.986 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000104649092 571382774 /nfs/dbraw/zinc/38/27/74/571382774.db2.gz HCCSYAYUBFDDHS-LZCXECNNSA-N -1 1 525.468 6.475 40 10 KKCBMM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2 ZINC000104649132 571382844 /nfs/dbraw/zinc/38/28/44/571382844.db2.gz CWZJHTXLVOQHJK-BALWLHIASA-N -1 1 536.650 5.738 40 10 KKCBMM O=[N+]([O-])c1ccc(COc2ccc([C@H]3Nc4ccc(S(=O)(=O)[N-]c5cccc([N+](=O)[O-])c5)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000104650173 571383156 /nfs/dbraw/zinc/38/31/56/571383156.db2.gz MCHSCYSOBPCONY-WTNLLYQRSA-N -1 1 598.637 6.709 40 10 KKCBMM CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S ZINC000104881716 571386989 /nfs/dbraw/zinc/38/69/89/571386989.db2.gz RHYRKHPTGSXUMA-LDADJPATSA-N -1 1 546.874 5.173 40 10 KKCBMM Cc1ccc(N2C(=O)/C(=C\c3cc(I)cc(I)c3[O-])C(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000150386536 571469395 /nfs/dbraw/zinc/46/93/95/571469395.db2.gz LSFAQTSVAXEVKH-HYARGMPZSA-N -1 1 700.270 6.646 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1[N-]S(C)(=O)=O ZINC000225479033 571849023 /nfs/dbraw/zinc/84/90/23/571849023.db2.gz HGOKHUGEUDXCQC-NSOVKSMOSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1[N-]S(C)(=O)=O ZINC000225479431 571849546 /nfs/dbraw/zinc/84/95/46/571849546.db2.gz HXVCDNHPJWLRHL-VSGBNLITSA-N -1 1 561.733 5.355 40 10 KKCBMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480608 571850901 /nfs/dbraw/zinc/85/09/01/571850901.db2.gz CJKAGEXRZTWZGL-RRPNLBNLSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N-]S(C)(=O)=O ZINC000225480574 571850961 /nfs/dbraw/zinc/85/09/61/571850961.db2.gz CJKAGEXRZTWZGL-SXOMAYOGSA-N -1 1 582.151 5.700 40 10 KKCBMM COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c([N-]S(C)(=O)=O)c3)c2C)cc1 ZINC000225481563 571852089 /nfs/dbraw/zinc/85/20/89/571852089.db2.gz NIOAVDBXIOKFDZ-NSOVKSMOSA-N -1 1 577.732 5.055 40 10 KKCBMM CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1C ZINC000225484607 571855157 /nfs/dbraw/zinc/85/51/57/571855157.db2.gz NHXQNUMZSNQJML-JDXGNMNLSA-N -1 1 589.787 5.917 40 10 KKCBMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000408529547 572168371 /nfs/dbraw/zinc/16/83/71/572168371.db2.gz INIDVBWBWLZCAE-MLPAPPSSSA-N -1 1 569.705 5.122 40 10 KKCBMM Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000408530442 572171783 /nfs/dbraw/zinc/17/17/83/572171783.db2.gz LUQHEZZPQDTQSS-HAHDFKILSA-N -1 1 583.368 7.706 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OCc1ccc(Br)cc1 ZINC000408533300 572182525 /nfs/dbraw/zinc/18/25/25/572182525.db2.gz XVTJRNAYPNKGOD-SXGWCWSVSA-N -1 1 576.275 5.520 40 10 KKCBMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540999 572207390 /nfs/dbraw/zinc/20/73/90/572207390.db2.gz XDABWXVROCQJGD-ZVHZXABRSA-N -1 1 542.078 6.394 40 10 KKCBMM COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)[O-])n1 ZINC000408631347 572287422 /nfs/dbraw/zinc/28/74/22/572287422.db2.gz HVFCSXGMWGPXBB-NHDPSOOVSA-N -1 1 525.974 5.667 40 10 KKCBMM