smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000000665253 193884961 /nfs/dbraw/zinc/88/49/61/193884961.db2.gz HMHRPJDMBCOYIL-FYJGNVAPSA-N -1 0 460.461 5.228 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 ZINC000001082488 194020572 /nfs/dbraw/zinc/02/05/72/194020572.db2.gz QRDUYOFYKMZXBD-GZTJUZNOSA-N -1 0 457.269 5.769 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001115631 194029629 /nfs/dbraw/zinc/02/96/29/194029629.db2.gz UHDWHKUCQLYPPV-RGVLZGJSSA-N -1 0 473.554 5.111 50 10 JKCARM COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000001125904 194036084 /nfs/dbraw/zinc/03/60/84/194036084.db2.gz ANBFFJZVFMKHAJ-LFIBNONCSA-N -1 0 497.916 5.497 50 10 JKCARM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000001130514 194038849 /nfs/dbraw/zinc/03/88/49/194038849.db2.gz JRQQXNZUKHTACS-QGOAFFKASA-N -1 0 451.935 5.119 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001134267 194041013 /nfs/dbraw/zinc/04/10/13/194041013.db2.gz SMGUVRHQFAUOOI-GZTJUZNOSA-N -1 0 451.822 5.011 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000001134102 194041027 /nfs/dbraw/zinc/04/10/27/194041027.db2.gz GQGODDFGFACUIM-XSFVSMFZSA-N -1 0 487.309 5.529 50 10 JKCARM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000001175998 194061973 /nfs/dbraw/zinc/06/19/73/194061973.db2.gz ZRPCAEXMAWSOLA-KGENOOAVSA-N -1 0 490.899 5.212 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000001175979 194062016 /nfs/dbraw/zinc/06/20/16/194062016.db2.gz INKBYUGUWKEXJF-WOJGMQOQSA-N -1 0 483.307 5.785 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001240099 194078804 /nfs/dbraw/zinc/07/88/04/194078804.db2.gz LBKKALYYOIGFOO-ZHZULCJRSA-N -1 0 455.514 5.500 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001278502 194081418 /nfs/dbraw/zinc/08/14/18/194081418.db2.gz GFIFYZFJARVWAP-PDGQHHTCSA-N -1 0 453.926 5.129 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001293785 194081898 /nfs/dbraw/zinc/08/18/98/194081898.db2.gz KNVQLKVPENBMKQ-MHWRWJLKSA-N -1 0 461.301 6.064 50 10 JKCARM Cc1cccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 ZINC000001305148 194083126 /nfs/dbraw/zinc/08/31/26/194083126.db2.gz ZJKAZBKKXVYQHA-JLPGSUDCSA-N -1 0 499.954 5.553 50 10 JKCARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000001514090 194127000 /nfs/dbraw/zinc/12/70/00/194127000.db2.gz KZMZMEOTYSXXOU-UHFFFAOYSA-N -1 0 464.768 5.443 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001805130 194143585 /nfs/dbraw/zinc/14/35/85/194143585.db2.gz UUHJUAHCLSCPCP-BHJKQYKASA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Cl ZINC000002975928 194190887 /nfs/dbraw/zinc/19/08/87/194190887.db2.gz NWSIRTZGRAGTPQ-MOSHPQCFSA-N -1 0 469.971 5.742 50 10 JKCARM CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl ZINC000002996371 194197839 /nfs/dbraw/zinc/19/78/39/194197839.db2.gz HWIUGRUNUFTLSV-KGENOOAVSA-N -1 0 478.932 5.245 50 10 JKCARM Cc1ccc2nc(-c3ccc(C)c(NCc4cc([N+](=O)[O-])cc(Br)c4[O-])c3)oc2c1 ZINC000003013742 194206882 /nfs/dbraw/zinc/20/68/82/194206882.db2.gz RAPUECIJVJFVNW-UHFFFAOYSA-N -1 0 468.307 6.100 50 10 JKCARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000003185924 194236102 /nfs/dbraw/zinc/23/61/02/194236102.db2.gz VCAWNQOXZUGKTL-UHFFFAOYSA-N -1 0 450.557 5.095 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000003464479 194330893 /nfs/dbraw/zinc/33/08/93/194330893.db2.gz QQZJNDKMDGRWAI-KEBDBYFISA-N -1 0 492.919 5.779 50 10 JKCARM Cc1ccc(S(=O)(=O)c2cc(O)c3ccccc3c2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003619504 194341759 /nfs/dbraw/zinc/34/17/59/194341759.db2.gz TYZDOOBREYUUMW-UHFFFAOYSA-N -1 0 487.986 5.141 50 10 JKCARM C[C@H]1C[C@H](C)CN(c2cc(Nc3cccc(C(=O)[O-])c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742026 194359546 /nfs/dbraw/zinc/35/95/46/194359546.db2.gz JCSCTLYOWGTOJL-HOTGVXAUSA-N -1 0 467.525 5.963 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000003771401 194361297 /nfs/dbraw/zinc/36/12/97/194361297.db2.gz SCNYABRKZRFXDC-NLRVBDNBSA-N -1 0 475.548 5.736 50 10 JKCARM CN(C)c1ccc(C(=O)[O-])cc1NC(=O)C1=CC(=NNc2ccc(Cl)cc2)c2ccccc2C1=O ZINC000004108439 194378457 /nfs/dbraw/zinc/37/84/57/194378457.db2.gz WSRFEIHFPCYUNG-QVIHXGFCSA-N -1 0 488.931 6.631 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455307 194453202 /nfs/dbraw/zinc/45/32/02/194453202.db2.gz QUYLVXZCCZSRQF-RTBURBONSA-N -1 0 475.651 6.140 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000009884813 195013921 /nfs/dbraw/zinc/01/39/21/195013921.db2.gz OQPFKTVTTKUKLK-NCPSJORJSA-N -1 0 488.439 5.661 50 10 JKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccccc2Br)o1 ZINC000012630927 195062922 /nfs/dbraw/zinc/06/29/22/195062922.db2.gz AALJZPLSXALBFO-PDGQHHTCSA-N -1 0 451.276 5.213 50 10 JKCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c1 ZINC000012652776 195076960 /nfs/dbraw/zinc/07/69/60/195076960.db2.gz RATYIPYEACMKOZ-OCKHKDLRSA-N -1 0 492.311 6.327 50 10 JKCARM COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000020764454 195220236 /nfs/dbraw/zinc/22/02/36/195220236.db2.gz JCCNFTQKAGJJIL-UYAOXDASSA-N -1 0 482.216 5.432 50 10 JKCARM COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000096398855 130075361 /nfs/dbraw/zinc/07/53/61/130075361.db2.gz TZWGGUJGKTWUQR-LPYMAVHISA-N -1 0 495.553 5.517 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1F ZINC000016212611 520621829 /nfs/dbraw/zinc/62/18/29/520621829.db2.gz NNKJCSAQPZDHAQ-JCMHNJIXSA-N -1 0 488.515 5.032 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl ZINC000016677423 520621993 /nfs/dbraw/zinc/62/19/93/520621993.db2.gz KBGSIWDXPLWQHB-ZHZULCJRSA-N -1 0 492.984 5.149 50 10 JKCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(O)c1 ZINC000016675930 520880823 /nfs/dbraw/zinc/88/08/23/520880823.db2.gz HVBMOYHIGUAVIK-OQLLNIDSSA-N -1 0 464.374 5.217 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000012445181 520894785 /nfs/dbraw/zinc/89/47/85/520894785.db2.gz YQCOIEHDHIINKB-BOPFTXTBSA-N -1 0 479.876 5.629 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012412770 520895112 /nfs/dbraw/zinc/89/51/12/520895112.db2.gz QMRZCFOVKCCFKU-BOPFTXTBSA-N -1 0 474.822 6.123 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1 ZINC000001184992 521033651 /nfs/dbraw/zinc/03/36/51/521033651.db2.gz AGLZOVHTPXMAIP-XSFVSMFZSA-N -1 0 496.386 5.310 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000020168308 521410572 /nfs/dbraw/zinc/41/05/72/521410572.db2.gz WZBBVSIUHDLBJA-KEDMZRARSA-N -1 0 461.624 5.151 50 10 JKCARM CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000006089597 521461751 /nfs/dbraw/zinc/46/17/51/521461751.db2.gz WLIQXSOLWPSWAY-HZHRSRAPSA-N -1 0 471.513 5.086 50 10 JKCARM CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000033347725 521852802 /nfs/dbraw/zinc/85/28/02/521852802.db2.gz MJSVTEAOELDYSX-PLRJNAJWSA-N -1 0 491.616 6.687 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000001200704 521945889 /nfs/dbraw/zinc/94/58/89/521945889.db2.gz RJAMQYJGLAMQSK-UDWIEESQSA-N -1 0 464.424 5.059 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000015836381 521947187 /nfs/dbraw/zinc/94/71/87/521947187.db2.gz UQIWDYOCKNQBML-XDHOZWIPSA-N -1 0 478.888 5.140 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000015836666 521947279 /nfs/dbraw/zinc/94/72/79/521947279.db2.gz PWTQFWFUQIHVHE-RGVLZGJSSA-N -1 0 480.879 5.573 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000033333322 521960263 /nfs/dbraw/zinc/96/02/63/521960263.db2.gz HMHRPJDMBCOYIL-BKUYFWCQSA-N -1 0 460.461 5.228 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O ZINC000085877600 523081717 /nfs/dbraw/zinc/08/17/17/523081717.db2.gz VBOAUAMOWKRVOU-UHFFFAOYSA-N -1 0 489.528 5.702 50 10 biogenic JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000012275667 523164638 /nfs/dbraw/zinc/16/46/38/523164638.db2.gz PHZQEYIVEXRNDS-GEJZQBIKSA-N -1 0 460.346 6.001 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000033417529 523417371 /nfs/dbraw/zinc/41/73/71/523417371.db2.gz WDVOJYNZMRIVHX-MOSHPQCFSA-N -1 0 492.915 5.443 50 10 JKCARM Cc1cc(C)c(C)c(Oc2c(=O)c3ccc([O-])c(CN4CCOCC4)c3oc2C(F)(F)F)c1 ZINC000019793910 524250826 /nfs/dbraw/zinc/25/08/26/524250826.db2.gz REEQMEKXBMIWHD-UHFFFAOYSA-N -1 0 463.452 5.067 50 10 JKCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000002978929 524323042 /nfs/dbraw/zinc/32/30/42/524323042.db2.gz OTLZEJPUAJZTNI-KGENOOAVSA-N -1 0 462.889 5.434 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)[N-]C2=S)cc1 ZINC000001163076 524382592 /nfs/dbraw/zinc/38/25/92/524382592.db2.gz YMKQNBZVQLJFLM-XDHOZWIPSA-N -1 0 452.919 5.589 50 10 JKCARM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)[N-]C2=S)c1 ZINC000033304437 524411464 /nfs/dbraw/zinc/41/14/64/524411464.db2.gz WEJFVFNDRUODML-NDENLUEZSA-N -1 0 474.498 5.071 50 10 JKCARM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c3ccccc32)c1 ZINC000004817552 524492317 /nfs/dbraw/zinc/49/23/17/524492317.db2.gz ZHWQIZJRUULNGV-YZSQISJMSA-N -1 0 491.591 5.962 50 10 biogenic JKCARM Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000009009338 524531919 /nfs/dbraw/zinc/53/19/19/524531919.db2.gz WXOZKPZVVQWGIE-HZHRSRAPSA-N -1 0 494.576 5.260 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)c1C ZINC000033333282 524532106 /nfs/dbraw/zinc/53/21/06/524532106.db2.gz SNSMLCJGMOMCLT-UYRXBGFRSA-N -1 0 469.488 5.785 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)c2)cc1 ZINC000002700637 524630603 /nfs/dbraw/zinc/63/06/03/524630603.db2.gz PLERMQVKSNXUAH-UAPYWLNTSA-N -1 0 475.591 5.601 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)c(C)c1 ZINC000033348442 524917712 /nfs/dbraw/zinc/91/77/12/524917712.db2.gz FKDJHRDQCDVWRP-PDGQHHTCSA-N -1 0 485.055 6.841 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)[N-]C2=S)c(C)c1 ZINC000002099580 524918472 /nfs/dbraw/zinc/91/84/72/524918472.db2.gz FKDJHRDQCDVWRP-LDADJPATSA-N -1 0 485.055 6.001 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1Cl ZINC000016182819 524923593 /nfs/dbraw/zinc/92/35/93/524923593.db2.gz GHIJPHMCSBKRNI-MTJSOVHGSA-N -1 0 491.887 5.642 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl ZINC000009259948 524927401 /nfs/dbraw/zinc/92/74/01/524927401.db2.gz RKKXHKPFCRGFTH-XKZIYDEJSA-N -1 0 469.928 5.318 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000033293581 525051460 /nfs/dbraw/zinc/05/14/60/525051460.db2.gz MAMKINSTGPXQSS-JAIQZWGSSA-N -1 0 496.928 5.282 50 10 JKCARM Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1C ZINC000019793918 525472032 /nfs/dbraw/zinc/47/20/32/525472032.db2.gz MQQRMIPNFQJOGP-UHFFFAOYSA-N -1 0 461.480 6.158 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C(F)(F)F)o2)cc1Cl ZINC000016183713 525743081 /nfs/dbraw/zinc/74/30/81/525743081.db2.gz HBLCYWLNWUWQNR-BOPFTXTBSA-N -1 0 474.822 5.955 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000017026599 525743175 /nfs/dbraw/zinc/74/31/75/525743175.db2.gz PEOXJVAOVCIKAE-BOPFTXTBSA-N -1 0 485.374 5.210 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000001155351 526085807 /nfs/dbraw/zinc/08/58/07/526085807.db2.gz INULKNXPEQLFSR-QGOAFFKASA-N -1 0 453.420 5.620 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000016266801 526085822 /nfs/dbraw/zinc/08/58/22/526085822.db2.gz OVLLCANZXQPQGM-RGVLZGJSSA-N -1 0 478.892 5.158 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000001150794 526086607 /nfs/dbraw/zinc/08/66/07/526086607.db2.gz RYYFWEPYORGYOH-RGVLZGJSSA-N -1 0 467.953 5.867 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000001153955 526087143 /nfs/dbraw/zinc/08/71/43/526087143.db2.gz TUJYJUBRUGKKTK-FOWTUZBSSA-N -1 0 471.410 5.759 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1 ZINC000002917163 526091483 /nfs/dbraw/zinc/09/14/83/526091483.db2.gz OZQRGYYQJHRSRJ-WOJGMQOQSA-N -1 0 470.381 5.232 50 10 JKCARM Cc1cc(C(=O)COC(=O)c2cc(=O)c3cc(C)ccc3[n-]2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000012523523 526212211 /nfs/dbraw/zinc/21/22/11/526212211.db2.gz DSAXEKVTNUKACH-UHFFFAOYSA-N -1 0 482.458 5.303 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1 ZINC000033337548 526234339 /nfs/dbraw/zinc/23/43/39/526234339.db2.gz LLPQMDQELBZTOT-JMIUGGIZSA-N -1 0 471.893 5.982 50 10 JKCARM Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000027018297 526249579 /nfs/dbraw/zinc/24/95/79/526249579.db2.gz HTRGISJXWCFPSG-HMAPJEAMSA-N -1 0 491.638 5.647 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000033293785 526341472 /nfs/dbraw/zinc/34/14/72/526341472.db2.gz FMXOHDXXDBKEGV-VCHYOVAHSA-N -1 0 460.294 6.193 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1O ZINC000016477950 526373888 /nfs/dbraw/zinc/37/38/88/526373888.db2.gz MYDZODUVXYNIRP-XMHGGMMESA-N -1 0 494.459 5.730 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1 ZINC000012464134 526387359 /nfs/dbraw/zinc/38/73/59/526387359.db2.gz PUSMKLCFMSLZFK-ZDLGFXPLSA-N -1 0 476.362 6.357 50 10 JKCARM O=C1/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000016398893 526944809 /nfs/dbraw/zinc/94/48/09/526944809.db2.gz VZGQVPZIMGNTHX-WLRTZDKTSA-N -1 0 471.741 5.122 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001203338 527044952 /nfs/dbraw/zinc/04/49/52/527044952.db2.gz XFOMSWKANMADOE-WJDWOHSUSA-N -1 0 482.246 5.124 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000015836188 527045258 /nfs/dbraw/zinc/04/52/58/527045258.db2.gz AIWLDOUQIHTGKI-DHDCSXOGSA-N -1 0 471.252 5.489 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000001182332 527046561 /nfs/dbraw/zinc/04/65/61/527046561.db2.gz DULIHBYTPQLNJI-RGVLZGJSSA-N -1 0 483.307 5.785 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000016156419 527046880 /nfs/dbraw/zinc/04/68/80/527046880.db2.gz DBKLGOGRECKKFP-FYJGNVAPSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000013536038 527047938 /nfs/dbraw/zinc/04/79/38/527047938.db2.gz ZRRMZDUBQXAMMI-YBFXNURJSA-N -1 0 494.334 5.251 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000009425649 527048407 /nfs/dbraw/zinc/04/84/07/527048407.db2.gz FMKGYGFDHXFHQF-MOSHPQCFSA-N -1 0 467.308 5.239 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccs1 ZINC000000623597 553712629 /nfs/dbraw/zinc/71/26/29/553712629.db2.gz DENDOQQAYRXEOG-YBFXNURJSA-N -1 0 488.487 5.206 50 10 JKCARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC ZINC000000632319 553718765 /nfs/dbraw/zinc/71/87/65/553718765.db2.gz HVSMLPFOMULKPC-UHFFFAOYSA-N -1 0 466.342 5.042 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000000634872 553720829 /nfs/dbraw/zinc/72/08/29/553720829.db2.gz OVKFQYLWCSCIRA-HMAPJEAMSA-N -1 0 486.984 5.127 50 10 JKCARM CCc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 ZINC000000666602 553742524 /nfs/dbraw/zinc/74/25/24/553742524.db2.gz IWANSPYEHJHTLX-KGENOOAVSA-N -1 0 478.932 5.189 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1 ZINC000000843247 553793875 /nfs/dbraw/zinc/79/38/75/553793875.db2.gz QBILDHIFTHDTGC-BOPFTXTBSA-N -1 0 485.721 5.337 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000000849729 553797658 /nfs/dbraw/zinc/79/76/58/553797658.db2.gz XQJUGKVZQKDGQO-XNTDXEJSSA-N -1 0 461.301 5.224 50 10 JKCARM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000000858024 553801065 /nfs/dbraw/zinc/80/10/65/553801065.db2.gz VNYACUMNKIHHGT-BUVRLJJBSA-N -1 0 457.599 5.945 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000000980554 553891047 /nfs/dbraw/zinc/89/10/47/553891047.db2.gz BSHHKUWCFQGRGI-UNOMPAQXSA-N -1 0 467.953 5.026 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001174703 553925009 /nfs/dbraw/zinc/92/50/09/553925009.db2.gz AIWLDOUQIHTGKI-OQLLNIDSSA-N -1 0 471.252 5.489 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000001174975 553925538 /nfs/dbraw/zinc/92/55/38/553925538.db2.gz IZWBEQUEGHQKSX-LDADJPATSA-N -1 0 450.853 5.565 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000001178573 553927387 /nfs/dbraw/zinc/92/73/87/553927387.db2.gz VKUPHZGGTYKYQZ-HZHRSRAPSA-N -1 0 482.467 5.770 50 10 JKCARM [O-]c1c(Br)cc2oc3c(c2c1CNc1ccc(I)cc1)CCCC3 ZINC000001773390 553987131 /nfs/dbraw/zinc/98/71/31/553987131.db2.gz QZIJQIVOZMQRHG-UHFFFAOYSA-N -1 0 498.158 5.996 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000002062462 554018081 /nfs/dbraw/zinc/01/80/81/554018081.db2.gz PDIAPDGNSMDYLR-WSDLNYQXSA-N -1 0 495.362 5.856 50 10 JKCARM CCOc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCCCCCCC3)cc1 ZINC000002112218 554050877 /nfs/dbraw/zinc/05/08/77/554050877.db2.gz VTIUEDXVKWLTDX-UHFFFAOYSA-N -1 0 464.653 5.266 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002174349 554077209 /nfs/dbraw/zinc/07/72/09/554077209.db2.gz HUTRLQYCNYVJEP-CPNJWEJPSA-N -1 0 489.959 5.313 50 10 JKCARM Cc1cccc(OCCCn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000002223987 554102093 /nfs/dbraw/zinc/10/20/93/554102093.db2.gz JNTIITMHPIBUIU-UQQQWYQISA-N -1 0 497.526 5.224 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000002238335 554108435 /nfs/dbraw/zinc/10/84/35/554108435.db2.gz KJQJHSKINUIQNR-BOPFTXTBSA-N -1 0 455.239 5.355 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000002239485 554109090 /nfs/dbraw/zinc/10/90/90/554109090.db2.gz AOZNCDMRDDHWDM-WQRHYEAKSA-N -1 0 494.334 5.251 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)c(C)c3)C2=O)cc1 ZINC000002259754 554121303 /nfs/dbraw/zinc/12/13/03/554121303.db2.gz JLBFSEOYVLWHAJ-CJLVFECKSA-N -1 0 477.948 5.598 50 10 JKCARM O=C([O-])CC/C(=C1/C=C(c2ccc(Br)cc2)NC1=O)c1ccc(Br)cc1 ZINC000002311300 554143780 /nfs/dbraw/zinc/14/37/80/554143780.db2.gz ZXEDUWIJGYMRNB-WUKNDPDISA-N -1 0 477.152 5.001 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002388329 554178531 /nfs/dbraw/zinc/17/85/31/554178531.db2.gz GPVKNEBZXUUWKW-MTJSOVHGSA-N -1 0 467.447 5.088 50 10 JKCARM Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)[N-]C1=S ZINC000002398545 554184197 /nfs/dbraw/zinc/18/41/97/554184197.db2.gz DDVQXTQEKDRUIM-RCCKNPSSSA-N -1 0 488.012 5.883 50 10 JKCARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002637993 554258330 /nfs/dbraw/zinc/25/83/30/554258330.db2.gz MCQFBMRWPZTXJO-UHFFFAOYSA-N -1 0 470.900 5.193 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000002700604 554293974 /nfs/dbraw/zinc/29/39/74/554293974.db2.gz SDOXFSBAELIPCT-UAPYWLNTSA-N -1 0 475.591 5.601 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000006431615 554535872 /nfs/dbraw/zinc/53/58/72/554535872.db2.gz LKVSZWDZKOYEPG-IMRQLAEWSA-N -1 0 475.548 5.736 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)ccc1O ZINC000006600439 554555230 /nfs/dbraw/zinc/55/52/30/554555230.db2.gz XBGGLOIRWULQOT-CAPFRKAQSA-N -1 0 465.637 5.588 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl ZINC000007018722 554563476 /nfs/dbraw/zinc/56/34/76/554563476.db2.gz WOBPZFKXPCYOLU-YBFXNURJSA-N -1 0 455.944 5.700 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000008430933 554584110 /nfs/dbraw/zinc/58/41/10/554584110.db2.gz VVNYEVFVQPJEGW-SDXDJHTJSA-N -1 0 450.582 5.392 50 10 JKCARM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O ZINC000008443307 554592912 /nfs/dbraw/zinc/59/29/12/554592912.db2.gz JMGDGYWJORGQQQ-LPYMAVHISA-N -1 0 492.421 5.895 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000008741494 554644016 /nfs/dbraw/zinc/64/40/16/554644016.db2.gz YMPOYQOXMZSAAY-PTFSYIGCSA-N -1 0 495.554 6.849 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1Cl ZINC000008742522 554645126 /nfs/dbraw/zinc/64/51/26/554645126.db2.gz CUZUPBLOAZXZET-XKZIYDEJSA-N -1 0 499.954 6.167 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1Cl ZINC000008743100 554645961 /nfs/dbraw/zinc/64/59/61/554645961.db2.gz AKESIRWRQVCFEJ-ODLFYWEKSA-N -1 0 484.339 5.916 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000008744417 554647494 /nfs/dbraw/zinc/64/74/94/554647494.db2.gz XMURCPLVBUKHAE-QQXSKIMKSA-N -1 0 489.506 6.489 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000008763336 554663323 /nfs/dbraw/zinc/66/33/23/554663323.db2.gz WXXKUXBYPDFMKT-ZHZULCJRSA-N -1 0 476.019 5.765 50 10 JKCARM CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008763392 554663412 /nfs/dbraw/zinc/66/34/12/554663412.db2.gz BWKZUODPYZVKAE-MOSHPQCFSA-N -1 0 492.018 5.384 50 10 JKCARM CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCc1ccccc1Cl ZINC000008763394 554663458 /nfs/dbraw/zinc/66/34/58/554663458.db2.gz XYTJJAMSVMNLEK-MOSHPQCFSA-N -1 0 492.018 5.384 50 10 JKCARM CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008766769 554667336 /nfs/dbraw/zinc/66/73/36/554667336.db2.gz CEIGJHMFFLPSKB-RPNTZMPASA-N -1 0 461.518 5.176 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008767397 554667983 /nfs/dbraw/zinc/66/79/83/554667983.db2.gz UCPQGSWHTBINQD-MHWRWJLKSA-N -1 0 461.688 5.778 50 10 JKCARM CC[C@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000008768963 554669593 /nfs/dbraw/zinc/66/95/93/554669593.db2.gz SAQCWQNTNXTCTO-KHCKMINHSA-N -1 0 475.520 5.726 50 10 JKCARM CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000008768961 554669600 /nfs/dbraw/zinc/66/96/00/554669600.db2.gz SAQCWQNTNXTCTO-ZDSQJECRSA-N -1 0 475.520 5.726 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 ZINC000008769495 554670077 /nfs/dbraw/zinc/67/00/77/554670077.db2.gz AGLDPNVGPVNATQ-SFQUDFHCSA-N -1 0 455.297 5.687 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008818964 554703355 /nfs/dbraw/zinc/70/33/55/554703355.db2.gz LWLLIJOYYCEJIL-KNGSKEOJSA-N -1 0 453.994 5.008 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000008819000 554703467 /nfs/dbraw/zinc/70/34/67/554703467.db2.gz UHTFXCLZVIHQGO-QDDTUJKSSA-N -1 0 480.523 5.190 50 10 JKCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000008825473 554713933 /nfs/dbraw/zinc/71/39/33/554713933.db2.gz RLTMDFNCFSWTLX-OQLLNIDSSA-N -1 0 475.897 5.685 50 10 JKCARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(SCc3ccccc3)c(O)c3ccccc23)c1 ZINC000008859982 554756566 /nfs/dbraw/zinc/75/65/66/554756566.db2.gz SMSUMPVKNCTGAG-UHFFFAOYSA-N -1 0 466.540 5.547 50 10 JKCARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)c1 ZINC000008895583 554785131 /nfs/dbraw/zinc/78/51/31/554785131.db2.gz ZCTSXRRAYDSUNQ-NVQSTNCTSA-N -1 0 490.475 5.853 50 10 JKCARM Cc1ccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008914392 554807397 /nfs/dbraw/zinc/80/73/97/554807397.db2.gz YHFWHRNYVXIROR-LFVJCYFKSA-N -1 0 483.524 5.514 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1cc(Cl)ccc1Cl ZINC000008914649 554807582 /nfs/dbraw/zinc/80/75/82/554807582.db2.gz JRPDTQVWFFUDKZ-QGOAFFKASA-N -1 0 488.302 5.520 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000008919872 554816708 /nfs/dbraw/zinc/81/67/08/554816708.db2.gz IVWULXATDPVHCT-MGNBDDOMSA-N -1 0 483.859 6.840 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000008951858 554835067 /nfs/dbraw/zinc/83/50/67/554835067.db2.gz WZPYPDJZBMHDCN-XYGWBWBKSA-N -1 0 482.923 5.739 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000008968980 554843043 /nfs/dbraw/zinc/84/30/43/554843043.db2.gz XQAYGQIAGUHECP-XSFVSMFZSA-N -1 0 489.915 5.469 50 10 JKCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000008974184 554845817 /nfs/dbraw/zinc/84/58/17/554845817.db2.gz CVIWTVCEWWJYOO-JWGURIENSA-N -1 0 465.509 5.595 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1Cl ZINC000008986625 554849461 /nfs/dbraw/zinc/84/94/61/554849461.db2.gz ZFPKKYNFNXRTSN-MTJSOVHGSA-N -1 0 487.918 5.457 50 10 JKCARM CCc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000008997263 554858464 /nfs/dbraw/zinc/85/84/64/554858464.db2.gz IWMXFGLZUUADSO-PCLIKHOPSA-N -1 0 479.605 6.232 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000008997429 554858923 /nfs/dbraw/zinc/85/89/23/554858923.db2.gz BXURNAONIBVMOF-UBYGEMSKSA-N -1 0 477.564 6.710 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000009009649 554863224 /nfs/dbraw/zinc/86/32/24/554863224.db2.gz LMAJVANIMFMBAZ-JJIBRWJFSA-N -1 0 483.593 5.320 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000009015632 554866021 /nfs/dbraw/zinc/86/60/21/554866021.db2.gz DVVUYEHSNXFVQL-XIEYBQDHSA-N -1 0 497.620 5.710 50 10 JKCARM COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000009016064 554866312 /nfs/dbraw/zinc/86/63/12/554866312.db2.gz KHPKUGLLXMSVKA-NDENLUEZSA-N -1 0 495.988 5.436 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1Cl ZINC000009076089 554887353 /nfs/dbraw/zinc/88/73/53/554887353.db2.gz GYGDSUFAMNEIBE-ODLFYWEKSA-N -1 0 467.884 5.402 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000009076124 554887407 /nfs/dbraw/zinc/88/74/07/554887407.db2.gz BLHJMKZBHBWGBH-SAHIIKMKSA-N -1 0 455.558 5.582 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000009076288 554887648 /nfs/dbraw/zinc/88/76/48/554887648.db2.gz YMPOYQOXMZSAAY-LIAPLOTISA-N -1 0 495.554 6.009 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 ZINC000009076559 554887805 /nfs/dbraw/zinc/88/78/05/554887805.db2.gz NVBUVRAIYWFFGH-OYJNRBEISA-N -1 0 475.976 5.927 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 ZINC000009168816 554952641 /nfs/dbraw/zinc/95/26/41/554952641.db2.gz BEKTVDJDVMXKEB-WOJGMQOQSA-N -1 0 455.297 5.537 50 10 JKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000009192033 554964810 /nfs/dbraw/zinc/96/48/10/554964810.db2.gz SURJKLCRDNXLIV-KFQNLNRXSA-N -1 0 465.749 5.214 50 10 JKCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccc5ccccc5c4)C3=O)o2)c1 ZINC000009233171 555006048 /nfs/dbraw/zinc/00/60/48/555006048.db2.gz KIGTUONKLQIBKN-YDZHTSKRSA-N -1 0 489.936 6.688 50 10 JKCARM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)SC(=S)N1C1CCCCC1 ZINC000009296569 555073316 /nfs/dbraw/zinc/07/33/16/555073316.db2.gz FRASMOMUTAHWQH-JYRVWZFOSA-N -1 0 477.243 5.451 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)c(C)c1 ZINC000009310417 555086061 /nfs/dbraw/zinc/08/60/61/555086061.db2.gz NNPQULVTUPIGQJ-RGVLZGJSSA-N -1 0 469.971 6.321 50 10 JKCARM CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)SC2=S)cc1 ZINC000009310424 555086284 /nfs/dbraw/zinc/08/62/84/555086284.db2.gz ZIAOFOIHVJPAOE-HZHRSRAPSA-N -1 0 492.622 6.205 50 10 JKCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009310550 555086512 /nfs/dbraw/zinc/08/65/12/555086512.db2.gz MALONFQKRLCPRP-XYGWBWBKSA-N -1 0 463.537 5.479 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000009311155 555087599 /nfs/dbraw/zinc/08/75/99/555087599.db2.gz UGGDMPAAQZLVOE-XYGWBWBKSA-N -1 0 469.585 5.675 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1 ZINC000009428129 555193607 /nfs/dbraw/zinc/19/36/07/555193607.db2.gz MAKIVDPWOJGXTG-WPGBELRESA-N -1 0 461.949 5.370 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1 ZINC000009428128 555193648 /nfs/dbraw/zinc/19/36/48/555193648.db2.gz MAKIVDPWOJGXTG-JVDNRXPZSA-N -1 0 461.949 5.370 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000009428263 555194055 /nfs/dbraw/zinc/19/40/55/555194055.db2.gz UDCGTJBSRPVNNA-DAJTYMAISA-N -1 0 491.591 6.178 50 10 JKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000009434495 555205503 /nfs/dbraw/zinc/20/55/03/555205503.db2.gz RIPWHKSNMRSXSI-NBUXHNBQSA-N -1 0 463.371 5.209 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000009553664 555350036 /nfs/dbraw/zinc/35/00/36/555350036.db2.gz PPGHCLRPCMQPNT-GGMSWHNTSA-N -1 0 498.579 5.633 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000009659560 555363057 /nfs/dbraw/zinc/36/30/57/555363057.db2.gz TWRKRFMWAOVPIB-XYGWBWBKSA-N -1 0 482.923 5.739 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4cccc(C)c4)c4ccc(C)cc34)C2=O)cc1 ZINC000009763046 555488291 /nfs/dbraw/zinc/48/82/91/555488291.db2.gz FJYLUUQXTDHGKD-QQXSKIMKSA-N -1 0 493.563 5.290 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4cccc5ccccc54)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000013534404 555488343 /nfs/dbraw/zinc/48/83/43/555488343.db2.gz HESWFMURDPMTQJ-IYBDPMFKSA-N -1 0 483.486 5.947 50 10 biogenic JKCARM Cc1ccccc1OCCCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013550033 555491314 /nfs/dbraw/zinc/49/13/14/555491314.db2.gz NNYVMYGVMWSWGL-JJIBRWJFSA-N -1 0 497.526 5.224 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3)C2=O)cc1 ZINC000013685473 555578818 /nfs/dbraw/zinc/57/88/18/555578818.db2.gz IGMALDGGAZAJGC-VZMLSGIISA-N -1 0 457.530 5.587 50 10 JKCARM CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000010059393 555609917 /nfs/dbraw/zinc/60/99/17/555609917.db2.gz GXDKHBRWZOGIQI-XYZCENFISA-N -1 0 469.832 6.450 50 10 JKCARM CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC ZINC000010060008 555611724 /nfs/dbraw/zinc/61/17/24/555611724.db2.gz HEIRDDMAIHVMIC-HMMYKYKNSA-N -1 0 452.507 5.170 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000013801058 555621490 /nfs/dbraw/zinc/62/14/90/555621490.db2.gz KBJWSFGGLYRXJQ-XKZIYDEJSA-N -1 0 490.346 6.503 50 10 JKCARM CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1)c1ccccc1 ZINC000020058024 555621900 /nfs/dbraw/zinc/62/19/00/555621900.db2.gz PAZGILBXCIEMSE-ZYONOYIQSA-N -1 0 484.537 5.458 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000013801997 555622109 /nfs/dbraw/zinc/62/21/09/555622109.db2.gz JYKILYPXHAUAAL-MOSHPQCFSA-N -1 0 480.387 5.528 50 10 JKCARM CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)[O-] ZINC000013914946 555646668 /nfs/dbraw/zinc/64/66/68/555646668.db2.gz QKNOXQBHHBFRFU-AUWJEWJLSA-N -1 0 484.133 5.025 50 10 JKCARM Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000013940538 555651280 /nfs/dbraw/zinc/65/12/80/555651280.db2.gz IKXVZJBBFPMPGU-STZFKDTASA-N -1 0 483.351 5.221 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1 ZINC000013941866 555652763 /nfs/dbraw/zinc/65/27/63/555652763.db2.gz XYVUVIKAFSFPJN-HYARGMPZSA-N -1 0 491.341 5.003 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000010232832 555657486 /nfs/dbraw/zinc/65/74/86/555657486.db2.gz QPDSSHJJXVWYJS-FBKCMUNRSA-N -1 0 487.546 5.373 50 10 JKCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S ZINC000010232841 555657518 /nfs/dbraw/zinc/65/75/18/555657518.db2.gz BYUIIWXCTADTRG-CIKBWMHTSA-N -1 0 466.378 5.082 50 10 JKCARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)cc1Cl ZINC000014166041 555718623 /nfs/dbraw/zinc/71/86/23/555718623.db2.gz QBVBLWYQYUIBEE-CZSZKKDXSA-N -1 0 495.000 5.974 50 10 JKCARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000011615523 555791704 /nfs/dbraw/zinc/79/17/04/555791704.db2.gz HCZVUFFXSKSVJU-UHFFFAOYSA-N -1 0 459.774 5.035 50 10 JKCARM COc1cc([N+](=O)[O-])cc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077981 555871944 /nfs/dbraw/zinc/87/19/44/555871944.db2.gz HIRWERIBQUXYIX-XMMPIXPASA-N -1 0 484.936 5.127 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000022276274 555913349 /nfs/dbraw/zinc/91/33/49/555913349.db2.gz IUHHKGRKEFQMKQ-JAIQZWGSSA-N -1 0 483.351 5.433 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)[O-])c(Cl)c4)N=C3C)o2)cc1 ZINC000015658752 555922408 /nfs/dbraw/zinc/92/24/08/555922408.db2.gz YXLAKMYPLFUWCP-MOSHPQCFSA-N -1 0 478.888 5.281 50 10 JKCARM CCOC(=O)COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000015722608 555957729 /nfs/dbraw/zinc/95/77/29/555957729.db2.gz IUKJTGONGAOATB-VGOFMYFVSA-N -1 0 497.718 5.095 50 10 JKCARM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)cc1 ZINC000012375824 555962812 /nfs/dbraw/zinc/96/28/12/555962812.db2.gz GPGOHARTAODFPS-NVQSTNCTSA-N -1 0 490.475 5.853 50 10 JKCARM COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000015745945 555983980 /nfs/dbraw/zinc/98/39/80/555983980.db2.gz VPNHAYPTFCSXQB-GZTJUZNOSA-N -1 0 467.821 5.024 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OC ZINC000015799463 556007755 /nfs/dbraw/zinc/00/77/55/556007755.db2.gz BHOCRGCSSUNEQU-FMIVXFBMSA-N -1 0 451.331 5.072 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000015922459 556069361 /nfs/dbraw/zinc/06/93/61/556069361.db2.gz XPBWURPOHQGIJK-BVAGGSTKSA-N -1 0 495.793 7.748 50 10 JKCARM CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1 ZINC000015930745 556070060 /nfs/dbraw/zinc/07/00/60/556070060.db2.gz HTYCNHKUSPZBPS-OEAKJJBVSA-N -1 0 456.498 5.169 50 10 JKCARM C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015947454 556085476 /nfs/dbraw/zinc/08/54/76/556085476.db2.gz CKOTZNITJSGSJB-MLXNANBUSA-N -1 0 472.202 5.532 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc4ccccc43)C2=O)cc1Cl ZINC000016038627 556120950 /nfs/dbraw/zinc/12/09/50/556120950.db2.gz XFGFRZCWEVXMNT-HYARGMPZSA-N -1 0 485.927 5.222 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000016688627 556152355 /nfs/dbraw/zinc/15/23/55/556152355.db2.gz HSWVXVBEHNDOMN-JAIQZWGSSA-N -1 0 497.378 5.741 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000017122698 556219877 /nfs/dbraw/zinc/21/98/77/556219877.db2.gz ZQMBRMNKUNGDMX-ATVHPVEESA-N -1 0 467.344 5.689 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025559599 556220916 /nfs/dbraw/zinc/22/09/16/556220916.db2.gz IEDFKTDQDQWIOB-OXJNMPFZSA-N -1 0 496.213 6.765 50 10 JKCARM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000025577639 556223772 /nfs/dbraw/zinc/22/37/72/556223772.db2.gz XPYHNJCMMCIDAV-NZQKXSOJSA-N -1 0 475.759 6.603 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000017167443 556230412 /nfs/dbraw/zinc/23/04/12/556230412.db2.gz OVKFQYLWCSCIRA-HYARGMPZSA-N -1 0 486.984 5.127 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1Cl ZINC000017197539 556238987 /nfs/dbraw/zinc/23/89/87/556238987.db2.gz XDXYNGJRVCMIIP-BOPFTXTBSA-N -1 0 473.337 5.917 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000026771455 556261143 /nfs/dbraw/zinc/26/11/43/556261143.db2.gz JFOKJXIZHUWTAZ-RCCKNPSSSA-N -1 0 455.601 5.420 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000013074870 556275866 /nfs/dbraw/zinc/27/58/66/556275866.db2.gz HBTLACYQTVCBGB-UOIFGXKSSA-N -1 0 494.550 5.060 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000018066133 556282178 /nfs/dbraw/zinc/28/21/78/556282178.db2.gz KQNVRYPVBKRLNG-WQRHYEAKSA-N -1 0 480.889 5.107 50 10 JKCARM Cc1ccc(C)c(OCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000027548754 556295399 /nfs/dbraw/zinc/29/53/99/556295399.db2.gz QOYNXWHJHJHLAT-HAHDFKILSA-N -1 0 483.524 5.432 50 10 JKCARM Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019597080 556356882 /nfs/dbraw/zinc/35/68/82/556356882.db2.gz KHYYQDGXOOPVAZ-HZPDHXFCSA-N -1 0 477.479 5.536 50 10 biogenic JKCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)CC1 ZINC000019681949 556359793 /nfs/dbraw/zinc/35/97/93/556359793.db2.gz LSSXWAJGUWNSMR-UHFFFAOYSA-N -1 0 484.474 5.210 50 10 JKCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000019791749 556370717 /nfs/dbraw/zinc/37/07/17/556370717.db2.gz SOQQJUCOCSPQGJ-STQMWFEESA-N -1 0 467.871 5.447 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)C[C@@H](C)O1 ZINC000019791840 556371010 /nfs/dbraw/zinc/37/10/10/556371010.db2.gz NOFQVNLZFBUKGR-HZPDHXFCSA-N -1 0 499.485 6.072 50 10 biogenic JKCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000019791841 556371135 /nfs/dbraw/zinc/37/11/35/556371135.db2.gz NOFQVNLZFBUKGR-HOTGVXAUSA-N -1 0 499.485 6.072 50 10 biogenic JKCARM Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019792874 556371469 /nfs/dbraw/zinc/37/14/69/556371469.db2.gz FTKKAVDPPJWTOT-GASCZTMLSA-N -1 0 463.452 5.227 50 10 JKCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000019793023 556371967 /nfs/dbraw/zinc/37/19/67/556371967.db2.gz NFUMCZIDIFZIKQ-STQMWFEESA-N -1 0 483.870 5.572 50 10 JKCARM Cc1cc(Oc2c(=O)c3ccc([O-])c(CN4CCOCC4)c3oc2C(F)(F)F)ccc1Cl ZINC000019793922 556373413 /nfs/dbraw/zinc/37/34/13/556373413.db2.gz HLQXYMWZJQLZOK-UHFFFAOYSA-N -1 0 469.843 5.104 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)c2)cc1 ZINC000032694360 556471789 /nfs/dbraw/zinc/47/17/89/556471789.db2.gz PLERMQVKSNXUAH-VKIDYWOHSA-N -1 0 475.591 5.601 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000032694363 556472047 /nfs/dbraw/zinc/47/20/47/556472047.db2.gz VWEOZURNEMTWJL-AMUNLKFJSA-N -1 0 496.009 5.946 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455305 569591568 /nfs/dbraw/zinc/59/15/68/569591568.db2.gz QUYLVXZCCZSRQF-MOPGFXCFSA-N -1 0 475.651 6.140 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455535 569591691 /nfs/dbraw/zinc/59/16/91/569591691.db2.gz OYNOMTLDRSZHCB-MOPGFXCFSA-N -1 0 477.667 6.364 50 10 JKCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000008735649 569602051 /nfs/dbraw/zinc/60/20/51/569602051.db2.gz MTGSGKGWDDMUNU-BRYYZUPOSA-N -1 0 456.372 5.708 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000033323403 569623624 /nfs/dbraw/zinc/62/36/24/569623624.db2.gz CTSOQBTTXREELK-YBEGLDIGSA-N -1 0 472.240 5.032 50 10 JKCARM CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000033339659 569624929 /nfs/dbraw/zinc/62/49/29/569624929.db2.gz JXLIFDFHOQJGPB-RCCKNPSSSA-N -1 0 493.610 5.004 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000033714572 569631468 /nfs/dbraw/zinc/63/14/68/569631468.db2.gz ZFQCGKFBIAHMSQ-MFOYZWKCSA-N -1 0 455.301 5.303 50 10 JKCARM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000072332578 569702976 /nfs/dbraw/zinc/70/29/76/569702976.db2.gz FRURLUHNWYGLDT-NTKDMRAZSA-N -1 0 471.340 5.959 50 10 JKCARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000072332577 569703002 /nfs/dbraw/zinc/70/30/02/569703002.db2.gz FRURLUHNWYGLDT-YADARESESA-N -1 0 471.340 5.959 50 10 JKCARM N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000080348249 569707802 /nfs/dbraw/zinc/70/78/02/569707802.db2.gz HAHZRTXSZMVINZ-PQMXRDJESA-N -1 0 451.379 5.679 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 ZINC000085877074 569716019 /nfs/dbraw/zinc/71/60/19/569716019.db2.gz WZHUUCNGDZHJKA-UHFFFAOYSA-N -1 0 473.529 5.996 50 10 biogenic JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(OCc2ccccn2)cc1 ZINC000095472741 569723705 /nfs/dbraw/zinc/72/37/05/569723705.db2.gz KWIBEIMIAPWXGG-UHFFFAOYSA-N -1 0 482.496 5.669 50 10 JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(OCc2ccccc2)cc1 ZINC000095475231 569724254 /nfs/dbraw/zinc/72/42/54/569724254.db2.gz PVLQRDSPBRJGGO-UHFFFAOYSA-N -1 0 481.508 6.274 50 10 JKCARM O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccc(O)c3)c12 ZINC000095480249 569724679 /nfs/dbraw/zinc/72/46/79/569724679.db2.gz UTFZXRXGUOGLCV-UHFFFAOYSA-N -1 0 459.502 6.106 50 10 JKCARM O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114864 569733812 /nfs/dbraw/zinc/73/38/12/569733812.db2.gz UOPSCSVSQQJKGS-CQSZACIVSA-N -1 0 469.276 5.619 50 10 biogenic JKCARM O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc2-3)O1 ZINC000096114863 569733826 /nfs/dbraw/zinc/73/38/26/569733826.db2.gz UOPSCSVSQQJKGS-AWEZNQCLSA-N -1 0 469.276 5.619 50 10 biogenic JKCARM COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222886 569739818 /nfs/dbraw/zinc/73/98/18/569739818.db2.gz WPOLLYDSBJBVKJ-IBGZPJMESA-N -1 0 490.508 5.059 50 10 biogenic JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000096563477 569741184 /nfs/dbraw/zinc/74/11/84/569741184.db2.gz POHNENBLGSETJP-QJOMJCCJSA-N -1 0 492.959 5.048 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000100077823 569752577 /nfs/dbraw/zinc/75/25/77/569752577.db2.gz ROLXYDMFWXRLRP-LFIBNONCSA-N -1 0 451.822 5.013 50 10 JKCARM CC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094863 569752885 /nfs/dbraw/zinc/75/28/85/569752885.db2.gz OMFTYNOURWFHAU-XNTDXEJSSA-N -1 0 481.297 5.710 50 10 JKCARM CC(=Nc1ccccc1-c1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094354 569752894 /nfs/dbraw/zinc/75/28/94/569752894.db2.gz ITCXOVNITXGFER-RCCKNPSSSA-N -1 0 478.499 6.614 50 10 JKCARM CCC(=Nc1ccc([N+](=O)[O-])cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100157865 569754189 /nfs/dbraw/zinc/75/41/89/569754189.db2.gz XUCGSPIUEAGIAO-DTQAZKPQSA-N -1 0 461.425 5.246 50 10 JKCARM CCCCCSc1nnc(-c2ccccc2N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000100174773 569754784 /nfs/dbraw/zinc/75/47/84/569754784.db2.gz PLGOPPKFKPNZHD-SILNSSARSA-N -1 0 474.590 5.245 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(O)cc1 ZINC000100506103 569763103 /nfs/dbraw/zinc/76/31/03/569763103.db2.gz QOYQMJIIRBDMDK-AWZKZOKMSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100525130 569763597 /nfs/dbraw/zinc/76/35/97/569763597.db2.gz XTMIGRNNAPGXJU-AWZKZOKMSA-N -1 0 485.323 5.356 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl ZINC000100524864 569763647 /nfs/dbraw/zinc/76/36/47/569763647.db2.gz HYMMXXHVSLFTCE-GSWFEHRJSA-N -1 0 475.317 5.900 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000100524894 569763660 /nfs/dbraw/zinc/76/36/60/569763660.db2.gz WYCNUSGAPRJGOO-PZPYUUCDSA-N -1 0 488.798 6.409 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000100525107 569763665 /nfs/dbraw/zinc/76/36/65/569763665.db2.gz PNXZLHOGGYQOKF-ZPKNHPDFSA-N -1 0 490.386 6.601 50 10 JKCARM COc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000100525190 569763724 /nfs/dbraw/zinc/76/37/24/569763724.db2.gz YNSXSLOOOBADLJ-IUBFCHALSA-N -1 0 470.352 5.456 50 10 JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Oc5ccccc5)cc4)c3=O)n2)cc1 ZINC000100687237 569766787 /nfs/dbraw/zinc/76/67/87/569766787.db2.gz QTKTUXBHNJOJJC-USTXVIIHSA-N -1 0 483.553 6.486 50 10 JKCARM CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000038177782 569799944 /nfs/dbraw/zinc/79/99/44/569799944.db2.gz JESBGZZJSJXZSM-RGEXLXHISA-N -1 0 453.454 5.005 50 10 JKCARM Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nc(-c2ccccc2)cs1 ZINC000102437994 569813083 /nfs/dbraw/zinc/81/30/83/569813083.db2.gz PBHMFBJLPHZMMZ-BOPFTXTBSA-N -1 0 486.338 5.133 50 10 JKCARM COC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000102580623 569814448 /nfs/dbraw/zinc/81/44/48/569814448.db2.gz ZCVFGLZSGPVFTH-TWQQJCIXSA-N -1 0 451.592 5.404 50 10 JKCARM CC(=Nc1ccc(F)c(Cl)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000103530310 569835862 /nfs/dbraw/zinc/83/58/62/569835862.db2.gz XIMNUJRVVOUURL-DHDCSXOGSA-N -1 0 454.836 5.740 50 10 JKCARM CCCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000044827054 569839368 /nfs/dbraw/zinc/83/93/68/569839368.db2.gz WCBIAGDNKOSLDH-XDJHFCHBSA-N -1 0 497.617 5.687 50 10 JKCARM COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000169294233 569868154 /nfs/dbraw/zinc/86/81/54/569868154.db2.gz SOAFFYNTNJRBTG-TZBSWOFLSA-N -1 0 476.554 5.021 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 ZINC000217682783 569881000 /nfs/dbraw/zinc/88/10/00/569881000.db2.gz AGLJHKDQSANDEZ-CBGDNZLLSA-N -1 0 498.423 5.755 50 10 JKCARM Cc1ccc2c(c1)cc(-c1c3cn[nH]c3nc3c4ccc(O)c([O-])c4oc31)c(=O)n2CC(C)C ZINC000217747688 569881353 /nfs/dbraw/zinc/88/13/53/569881353.db2.gz QAKVKSWXCFUSKW-UHFFFAOYSA-N -1 0 454.486 5.215 50 10 biogenic JKCARM COC(=O)C[C@H]1c2cc3ccccc3nc2Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000218112553 569882702 /nfs/dbraw/zinc/88/27/02/569882702.db2.gz SLMHAGRPZUVORZ-INIZCTEOSA-N -1 0 481.460 5.220 50 10 biogenic JKCARM COC(=O)C[C@@H]1c2cc3ccccc3nc2Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000218112468 569882761 /nfs/dbraw/zinc/88/27/61/569882761.db2.gz SLMHAGRPZUVORZ-MRXNPFEDSA-N -1 0 481.460 5.220 50 10 biogenic JKCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1OCc1ccccc1 ZINC000218288784 569883218 /nfs/dbraw/zinc/88/32/18/569883218.db2.gz LXOCORIZIGJJEG-UHFFFAOYSA-N -1 0 453.454 5.523 50 10 JKCARM COc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000252463058 570081421 /nfs/dbraw/zinc/08/14/21/570081421.db2.gz YNSXSLOOOBADLJ-GOSISDBHSA-N -1 0 470.352 5.456 50 10 JKCARM COc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000252463059 570081481 /nfs/dbraw/zinc/08/14/81/570081481.db2.gz YNSXSLOOOBADLJ-SFHVURJKSA-N -1 0 470.352 5.456 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1 ZINC000252605373 570085524 /nfs/dbraw/zinc/08/55/24/570085524.db2.gz GJXYPAQFQVILJQ-KRWDZBQOSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1Br ZINC000252629870 570089181 /nfs/dbraw/zinc/08/91/81/570089181.db2.gz UPDUOTYLLMICST-QGZVFWFLSA-N -1 0 485.323 5.356 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001011730 194002946 /nfs/dbraw/zinc/00/29/46/194002946.db2.gz IBWQMCLALIBJNS-JAIQZWGSSA-N -1 0 469.324 5.042 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000001013586 194003160 /nfs/dbraw/zinc/00/31/60/194003160.db2.gz RYJMJDQKYYVUAV-DEDYPNTBSA-N -1 0 489.959 5.313 50 10 JKCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000001194271 194066758 /nfs/dbraw/zinc/06/67/58/194066758.db2.gz AJALTXZDCIWLKT-XNTDXEJSSA-N -1 0 478.129 5.477 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000001240107 194078839 /nfs/dbraw/zinc/07/88/39/194078839.db2.gz ROLPJJZLLZKITC-HZHRSRAPSA-N -1 0 459.571 5.473 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001257896 194080558 /nfs/dbraw/zinc/08/05/58/194080558.db2.gz MSOQUYKKFYACCN-XNTDXEJSSA-N -1 0 461.301 6.064 50 10 JKCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000001211491 194071391 /nfs/dbraw/zinc/07/13/91/194071391.db2.gz QMCICPXPZONSNH-XKZIYDEJSA-N -1 0 498.926 5.440 50 10 JKCARM COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000001281941 194081402 /nfs/dbraw/zinc/08/14/02/194081402.db2.gz IUZXWCRJBBTMOG-RGVUVNHFSA-N -1 0 498.409 5.255 50 10 JKCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000001307167 194083320 /nfs/dbraw/zinc/08/33/20/194083320.db2.gz FSYUPFNPUPUHQS-HMAPJEAMSA-N -1 0 492.373 5.290 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000001410520 194116616 /nfs/dbraw/zinc/11/66/16/194116616.db2.gz CHZNHEKKRJVNDB-LDADJPATSA-N -1 0 451.935 5.125 50 10 JKCARM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1 ZINC000001777291 194138443 /nfs/dbraw/zinc/13/84/43/194138443.db2.gz IOSCIGCGZULBKI-XKZIYDEJSA-N -1 0 477.563 5.378 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S ZINC000001805126 194143579 /nfs/dbraw/zinc/14/35/79/194143579.db2.gz UFSDZZRMTWSKRC-GZTJUZNOSA-N -1 0 480.951 5.354 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001835433 194148724 /nfs/dbraw/zinc/14/87/24/194148724.db2.gz GIVBFEAAAYPMEZ-XKZIYDEJSA-N -1 0 455.514 5.500 50 10 JKCARM CCN1C(=O)[N-]C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O ZINC000002993688 194197600 /nfs/dbraw/zinc/19/76/00/194197600.db2.gz CALUWWXSCXQEHY-NBVRZTHBSA-N -1 0 451.910 5.086 50 10 JKCARM C[C@@H]1C[C@H](C)CN(c2cc(Nc3cccc(C(=O)[O-])c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742027 194359570 /nfs/dbraw/zinc/35/95/70/194359570.db2.gz JCSCTLYOWGTOJL-IYBDPMFKSA-N -1 0 467.525 5.963 50 10 JKCARM C[C@@H]1C[C@H](C)CN(c2cc(Nc3ccccc3C(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742023 194359581 /nfs/dbraw/zinc/35/95/81/194359581.db2.gz HQQHYDSAYJUPSU-IYBDPMFKSA-N -1 0 467.525 5.963 50 10 JKCARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000004047887 194372421 /nfs/dbraw/zinc/37/24/21/194372421.db2.gz VCHQITKZNCEDFE-BUVRLJJBSA-N -1 0 494.507 5.721 50 10 JKCARM CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000004136163 194380736 /nfs/dbraw/zinc/38/07/36/194380736.db2.gz HGLNYPLOLMJFGU-SILNSSARSA-N -1 0 465.637 5.501 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000009010131 194503782 /nfs/dbraw/zinc/50/37/82/194503782.db2.gz BBMPHDORROHQRS-KOEQRZSOSA-N -1 0 481.621 5.928 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000009295812 194671524 /nfs/dbraw/zinc/67/15/24/194671524.db2.gz SFTZYMNNLIGWID-CIAFOILYSA-N -1 0 497.403 5.712 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 ZINC000009311298 194684717 /nfs/dbraw/zinc/68/47/17/194684717.db2.gz BBQRBOIMSKMFFO-LTGZKZEYSA-N -1 0 478.460 6.024 50 10 in-vitro JKCARM Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)SC1=S ZINC000009763001 194948447 /nfs/dbraw/zinc/94/84/47/194948447.db2.gz HZZAWNLDIDSZGA-ZDLGFXPLSA-N -1 0 458.948 5.254 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000009884835 195013915 /nfs/dbraw/zinc/01/39/15/195013915.db2.gz QREKVLJPSMJDQX-DWKHYPNZSA-N -1 0 487.546 5.373 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000009884844 195013946 /nfs/dbraw/zinc/01/39/46/195013946.db2.gz QPDSSHJJXVWYJS-DWKHYPNZSA-N -1 0 487.546 5.373 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1 ZINC000009884873 195014019 /nfs/dbraw/zinc/01/40/19/195014019.db2.gz AHACRWOJRGTGSO-JCZXDDDQSA-N -1 0 493.562 5.150 50 10 JKCARM Cc1nn(-c2ccc(C)cc2C)c(Cl)c1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000012862184 195159856 /nfs/dbraw/zinc/15/98/56/195159856.db2.gz NESJGQOIUIATGC-ODLFYWEKSA-N -1 0 484.002 5.555 50 10 JKCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC[C@H]3c3cccnc3)c2=O)cc1OC ZINC000020761617 195218008 /nfs/dbraw/zinc/21/80/08/195218008.db2.gz IBKPSVLFMZANJP-QHCPKHFHSA-N -1 0 472.541 5.305 50 10 biogenic JKCARM COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000020764458 195220363 /nfs/dbraw/zinc/22/03/63/195220363.db2.gz JCCNFTQKAGJJIL-QUCCMNQESA-N -1 0 482.216 5.432 50 10 JKCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000013777543 519789727 /nfs/dbraw/zinc/78/97/27/519789727.db2.gz JUHGSJBZVDODBQ-LRQZKABGSA-N -1 0 466.378 5.020 50 10 JKCARM CCCCC[C@@H]1CCN2c3c(cc(C(=O)[O-])cc31)[C@@H]1C=CC[C@@H]1[C@@H]2c1ccc(Br)cc1 ZINC000004817548 520294553 /nfs/dbraw/zinc/29/45/53/520294553.db2.gz SATVLVYEJAZVPV-ZMZRDZHMSA-N -1 0 480.446 7.436 50 10 biogenic JKCARM CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000033336465 520594339 /nfs/dbraw/zinc/59/43/39/520594339.db2.gz MTVQLPABCMNBOR-QPEQYQDCSA-N -1 0 498.160 5.970 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000033332235 520622145 /nfs/dbraw/zinc/62/21/45/520622145.db2.gz ZHRVLUNNTMVUPV-NDENLUEZSA-N -1 0 483.351 5.433 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000001161744 520622652 /nfs/dbraw/zinc/62/26/52/520622652.db2.gz AUKRTYHZUJRGBK-HZHRSRAPSA-N -1 0 488.515 5.873 50 10 JKCARM CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000016156088 520628979 /nfs/dbraw/zinc/62/89/79/520628979.db2.gz LKTHICHZPUEANR-XKZIYDEJSA-N -1 0 490.943 5.822 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000016694466 520890705 /nfs/dbraw/zinc/89/07/05/520890705.db2.gz LQIYWXASMPQVEV-BOPFTXTBSA-N -1 0 485.721 5.867 50 10 JKCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 ZINC000001203748 521035890 /nfs/dbraw/zinc/03/58/90/521035890.db2.gz CQDNKXWOAPBRGG-DEDYPNTBSA-N -1 0 461.430 5.069 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)[N-]C2=S)c1 ZINC000001182431 521381398 /nfs/dbraw/zinc/38/13/98/521381398.db2.gz YEZHNURGJKGJIB-XSFVSMFZSA-N -1 0 451.935 5.201 50 10 JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O ZINC000085878035 521896545 /nfs/dbraw/zinc/89/65/45/521896545.db2.gz IQSZJPNLRDOTGY-UHFFFAOYSA-N -1 0 475.501 5.312 50 10 biogenic JKCARM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4Cl)C3=O)c2C)cc1 ZINC000016267308 521930837 /nfs/dbraw/zinc/93/08/37/521930837.db2.gz MTZXCVZGLMIYAT-FYJGNVAPSA-N -1 0 491.931 5.036 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F ZINC000001201672 521946551 /nfs/dbraw/zinc/94/65/51/521946551.db2.gz NHDGLXKYTJAIPZ-XDHOZWIPSA-N -1 0 464.424 5.059 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033333734 521962632 /nfs/dbraw/zinc/96/26/32/521962632.db2.gz LVVOAIZXVYXADD-LPYMAVHISA-N -1 0 462.933 5.006 50 10 JKCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 ZINC000033650823 522131643 /nfs/dbraw/zinc/13/16/43/522131643.db2.gz XJLYXWQPHXKRIW-AFUMVMLFSA-N -1 0 469.585 5.727 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000001160590 522974267 /nfs/dbraw/zinc/97/42/67/522974267.db2.gz BZDITCDJMDQMLD-GZTJUZNOSA-N -1 0 481.848 5.332 50 10 JKCARM COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000016672237 523052424 /nfs/dbraw/zinc/05/24/24/523052424.db2.gz MKQIARGPLSYWTL-DEOSSOPVSA-N -1 0 454.910 5.119 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OC)c1 ZINC000033417517 523416754 /nfs/dbraw/zinc/41/67/54/523416754.db2.gz GCBMGXDMLULCTQ-XKZIYDEJSA-N -1 0 492.915 5.443 50 10 JKCARM COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000006057128 523843507 /nfs/dbraw/zinc/84/35/07/523843507.db2.gz BMLYQZRREWZKLB-SWYRRKHMSA-N -1 0 490.581 5.329 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4F)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000001201731 524383083 /nfs/dbraw/zinc/38/30/83/524383083.db2.gz ZWLUGTFPKSTLQG-DEDYPNTBSA-N -1 0 492.528 5.094 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000001200475 524393530 /nfs/dbraw/zinc/39/35/30/524393530.db2.gz OHPUEWGXKRYVOL-HZHRSRAPSA-N -1 0 451.482 5.205 50 10 JKCARM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000016226140 524598897 /nfs/dbraw/zinc/59/88/97/524598897.db2.gz PKVPMKHMXYTUDA-BUVRLJJBSA-N -1 0 483.524 5.136 50 10 JKCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Br)c3)C2=O)ccc1Br ZINC000033336469 525049341 /nfs/dbraw/zinc/04/93/41/525049341.db2.gz VNWUNGBWUAVBQF-ZROIWOOFSA-N -1 0 464.113 5.027 50 10 JKCARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000033293913 525235952 /nfs/dbraw/zinc/23/59/52/525235952.db2.gz QYKFDIPYBNPYGK-JAIQZWGSSA-N -1 0 496.928 5.282 50 10 JKCARM Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(C(=O)c3cccs3)CC2)c1[O-] ZINC000021741641 525263279 /nfs/dbraw/zinc/26/32/79/525263279.db2.gz ZIADRWXQHXYWBV-UHFFFAOYSA-N -1 0 485.609 5.126 50 10 JKCARM Cc1ccc(OCCCOc2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)cc2)cc1 ZINC000016193467 525412839 /nfs/dbraw/zinc/41/28/39/525412839.db2.gz PRGSAAUOMQBULL-XIEYBQDHSA-N -1 0 470.525 5.345 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000016695220 525742462 /nfs/dbraw/zinc/74/24/62/525742462.db2.gz NBAZWXKUDBOEKY-IOVUBPJKSA-N -1 0 494.550 5.060 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000016695221 525742727 /nfs/dbraw/zinc/74/27/27/525742727.db2.gz NBAZWXKUDBOEKY-DBRLUCFCSA-N -1 0 494.550 5.060 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000016268366 526088156 /nfs/dbraw/zinc/08/81/56/526088156.db2.gz JKHUHHXAOOGJBD-HAHDFKILSA-N -1 0 459.521 5.197 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1 ZINC000009246840 526091584 /nfs/dbraw/zinc/09/15/84/526091584.db2.gz ADYUYJZHXMTBQT-RGVLZGJSSA-N -1 0 454.313 5.067 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000033332295 526091927 /nfs/dbraw/zinc/09/19/27/526091927.db2.gz XDVUUBLUKVTHDH-YBEGLDIGSA-N -1 0 471.916 5.697 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025559526 526326636 /nfs/dbraw/zinc/32/66/36/526326636.db2.gz OZLCZIAAFKXVTM-OXQOHEQNSA-N -1 0 451.762 6.656 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c1 ZINC000016193315 526387185 /nfs/dbraw/zinc/38/71/85/526387185.db2.gz NVAWDQNBTLPHMN-ZDLGFXPLSA-N -1 0 476.362 6.357 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1 ZINC000013521518 526391101 /nfs/dbraw/zinc/39/11/01/526391101.db2.gz WFLQWQMYORDWLX-WQRHYEAKSA-N -1 0 488.011 6.329 50 10 JKCARM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)SC(=S)N1c1ccccc1 ZINC000033155021 526939263 /nfs/dbraw/zinc/93/92/63/526939263.db2.gz MGZAMBUJXPPMNK-JYRVWZFOSA-N -1 0 471.195 5.323 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001186421 526939928 /nfs/dbraw/zinc/93/99/28/526939928.db2.gz JQIZWPJVGKYBAX-JLHYYAGUSA-N -1 0 488.308 5.833 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000001185022 526943481 /nfs/dbraw/zinc/94/34/81/526943481.db2.gz CHVKUHHQQYTTNL-DEDYPNTBSA-N -1 0 473.504 5.639 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)s1 ZINC000033333142 526946009 /nfs/dbraw/zinc/94/60/09/526946009.db2.gz RFJHDQHKBOYYMP-ATVHPVEESA-N -1 0 457.001 6.224 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1c2ccccc2cc2ccccc21 ZINC000016525762 527046173 /nfs/dbraw/zinc/04/61/73/527046173.db2.gz KMIPBTTVMRIDDA-HMAPJEAMSA-N -1 0 460.411 5.883 50 10 JKCARM O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)cc1)c1cccc2nsnc21 ZINC000033169241 527246269 /nfs/dbraw/zinc/24/62/69/527246269.db2.gz LXWXJYDEVPWWFK-UHFFFAOYSA-N -1 0 458.977 5.422 50 10 JKCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000016667541 527534635 /nfs/dbraw/zinc/53/46/35/527534635.db2.gz VFXAMSAGFCQISC-WQRHYEAKSA-N -1 0 471.742 5.108 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000016733784 527578061 /nfs/dbraw/zinc/57/80/61/527578061.db2.gz FKHAVZJJRLWZAK-PGMHBOJBSA-N -1 0 459.633 5.802 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000008763589 527578686 /nfs/dbraw/zinc/57/86/86/527578686.db2.gz PCALVVVKRNMPIG-ATVHPVEESA-N -1 0 469.506 5.812 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000026771456 527579054 /nfs/dbraw/zinc/57/90/54/527579054.db2.gz UHJZRZADRNOVMG-XSFVSMFZSA-N -1 0 476.019 5.765 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000033559822 527608220 /nfs/dbraw/zinc/60/82/20/527608220.db2.gz OHINFMDNBJJADN-SDQBBNPISA-N -1 0 490.809 5.133 50 10 JKCARM Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000654916 553735583 /nfs/dbraw/zinc/73/55/83/553735583.db2.gz PGTBUAQDEGUHAG-UFFVCSGVSA-N -1 0 456.329 6.001 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000661265 553739436 /nfs/dbraw/zinc/73/94/36/553739436.db2.gz KZIBUPZZAYHOAS-LDADJPATSA-N -1 0 459.424 5.307 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000000661195 553739539 /nfs/dbraw/zinc/73/95/39/553739539.db2.gz KDIRYLMZPFCABD-GZTJUZNOSA-N -1 0 458.923 5.895 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)c1C ZINC000000664762 553741289 /nfs/dbraw/zinc/74/12/89/553741289.db2.gz SNSMLCJGMOMCLT-CPNJWEJPSA-N -1 0 469.488 5.785 50 10 JKCARM COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000000666798 553742836 /nfs/dbraw/zinc/74/28/36/553742836.db2.gz GRDBUNLKDCADJA-YDZHTSKRSA-N -1 0 469.566 5.195 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000000667139 553743102 /nfs/dbraw/zinc/74/31/02/553743102.db2.gz CYMYPNYQIDXAOE-CIAFOILYSA-N -1 0 481.335 5.547 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000000843263 553793943 /nfs/dbraw/zinc/79/39/43/553793943.db2.gz CAFIYRQXEQKTBX-NDENLUEZSA-N -1 0 498.764 5.176 50 10 JKCARM COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000000972009 553887767 /nfs/dbraw/zinc/88/77/67/553887767.db2.gz SOAFFYNTNJRBTG-OTNCWRBYSA-N -1 0 476.554 5.021 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000001175718 553926036 /nfs/dbraw/zinc/92/60/36/553926036.db2.gz XVHNMPNHOSZPPT-XDHOZWIPSA-N -1 0 466.852 5.270 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1C ZINC000001183981 553929933 /nfs/dbraw/zinc/92/99/33/553929933.db2.gz RCAWZUSJBOESMI-WOJGMQOQSA-N -1 0 465.849 5.632 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000002165177 554075427 /nfs/dbraw/zinc/07/54/27/554075427.db2.gz GYLHVLGLUVSKHH-ZDLGFXPLSA-N -1 0 460.294 6.193 50 10 JKCARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000002169139 554076104 /nfs/dbraw/zinc/07/61/04/554076104.db2.gz FKULEDPMNQQNBY-JAIQZWGSSA-N -1 0 496.928 5.282 50 10 JKCARM Cc1cccc(C)c1OCCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002214752 554097298 /nfs/dbraw/zinc/09/72/98/554097298.db2.gz SYAXFRVKJDOPSJ-JLPGSUDCSA-N -1 0 497.526 5.143 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3C)C2=O)cc1 ZINC000002263017 554123007 /nfs/dbraw/zinc/12/30/07/554123007.db2.gz YVFNMERKHSKWDX-HAVVHWLPSA-N -1 0 457.530 5.253 50 10 JKCARM Cc1ccc(Sc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000002274138 554128238 /nfs/dbraw/zinc/12/82/38/554128238.db2.gz BYGRSWDZWJOAGF-PDGQHHTCSA-N -1 0 483.343 5.168 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(OCc2ccccc2)cc1 ZINC000002281601 554131133 /nfs/dbraw/zinc/13/11/33/554131133.db2.gz KJDKVJNJZWLJAF-FYJGNVAPSA-N -1 0 466.415 5.791 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002282077 554131374 /nfs/dbraw/zinc/13/13/74/554131374.db2.gz NZNGOCCODWWFRG-LPYMAVHISA-N -1 0 471.969 6.015 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1 ZINC000002302413 554140035 /nfs/dbraw/zinc/14/00/35/554140035.db2.gz OTDZQUOUJKSSEZ-BOPFTXTBSA-N -1 0 471.694 5.869 50 10 JKCARM COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000002308514 554142867 /nfs/dbraw/zinc/14/28/67/554142867.db2.gz PPORBSJWVUTOQJ-UQQQWYQISA-N -1 0 493.588 5.293 50 10 JKCARM O=C([O-])CC/C(=C1\C=C(c2ccc(Br)cc2)NC1=O)c1ccc(Br)cc1 ZINC000002311301 554143861 /nfs/dbraw/zinc/14/38/61/554143861.db2.gz ZXEDUWIJGYMRNB-MSUUIHNZSA-N -1 0 477.152 5.001 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000002381890 554175909 /nfs/dbraw/zinc/17/59/09/554175909.db2.gz DEVZUPNNDGEFHF-LDADJPATSA-N -1 0 460.533 5.009 50 10 JKCARM Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(C(=O)Nc3ccsc3C(=O)[O-])c(C)n2n1 ZINC000002384359 554176967 /nfs/dbraw/zinc/17/69/67/554176967.db2.gz TYVYEZMKXJXUON-UHFFFAOYSA-N -1 0 477.571 5.186 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1Cl ZINC000002384938 554177293 /nfs/dbraw/zinc/17/72/93/554177293.db2.gz BLUPNLLEUGFWNW-HZHRSRAPSA-N -1 0 491.975 5.523 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002397477 554183723 /nfs/dbraw/zinc/18/37/23/554183723.db2.gz GFAMOQLEYKLPPJ-RCCKNPSSSA-N -1 0 473.985 5.574 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000002590149 554238844 /nfs/dbraw/zinc/23/88/44/554238844.db2.gz NXVJBPUILALNCQ-QGOAFFKASA-N -1 0 468.340 5.276 50 10 JKCARM Cc1ccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000002595297 554239813 /nfs/dbraw/zinc/23/98/13/554239813.db2.gz KFMUHZREBIVZQK-JLPGSUDCSA-N -1 0 497.551 5.823 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000002596193 554239839 /nfs/dbraw/zinc/23/98/39/554239839.db2.gz AGCPZDFNOUXFCU-QOMWVZHYSA-N -1 0 491.616 5.283 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000002810598 554360190 /nfs/dbraw/zinc/36/01/90/554360190.db2.gz BHFODGGYVKDHPX-YBFXNURJSA-N -1 0 466.852 5.270 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000002818560 554363725 /nfs/dbraw/zinc/36/37/25/554363725.db2.gz SPVTZEVKYRWLRU-VCHYOVAHSA-N -1 0 483.307 5.785 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000002979837 554417494 /nfs/dbraw/zinc/41/74/94/554417494.db2.gz ZWTYNKPGVYDPOQ-KGENOOAVSA-N -1 0 462.889 5.434 50 10 JKCARM CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000006492065 554546316 /nfs/dbraw/zinc/54/63/16/554546316.db2.gz IRHKZHZNAYUQPF-UYRXBGFRSA-N -1 0 498.413 5.170 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1Cl ZINC000006859706 554558996 /nfs/dbraw/zinc/55/89/96/554558996.db2.gz XKCRFFQNBGLXFA-MTJSOVHGSA-N -1 0 481.335 5.547 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000008431861 554585054 /nfs/dbraw/zinc/58/50/54/554585054.db2.gz SQZMKTNBEVCIMQ-WQLSENKSSA-N -1 0 455.685 5.282 50 10 JKCARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O ZINC000008439144 554590482 /nfs/dbraw/zinc/59/04/82/554590482.db2.gz QYKFDIPYBNPYGK-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000008738565 554640132 /nfs/dbraw/zinc/64/01/32/554640132.db2.gz SIMCELPAASCCCY-JJIBRWJFSA-N -1 0 483.499 5.756 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000008739304 554640974 /nfs/dbraw/zinc/64/09/74/554640974.db2.gz AOZNCDMRDDHWDM-WOJGMQOQSA-N -1 0 494.334 6.092 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000008742792 554645308 /nfs/dbraw/zinc/64/53/08/554645308.db2.gz OROKPJLKUBUDPE-GZTJUZNOSA-N -1 0 475.378 6.409 50 10 JKCARM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N1 ZINC000008743402 554646002 /nfs/dbraw/zinc/64/60/02/554646002.db2.gz CIZKJZBRRSGRND-UHFFFAOYSA-N -1 0 478.464 5.309 50 10 JKCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc([C@H](C)CC)cc4)C3=O)c2C)cc1 ZINC000008743563 554646142 /nfs/dbraw/zinc/64/61/42/554646142.db2.gz GIBICELGYAPRPU-CTYFVSDTSA-N -1 0 469.585 6.677 50 10 JKCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc([C@@H](C)CC)cc4)C3=O)c2C)cc1 ZINC000008743562 554646248 /nfs/dbraw/zinc/64/62/48/554646248.db2.gz GIBICELGYAPRPU-QVTRDURHSA-N -1 0 469.585 6.677 50 10 JKCARM CCc1ccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008744375 554647453 /nfs/dbraw/zinc/64/74/53/554647453.db2.gz DVPMGHGYKRXBQD-KOEQRZSOSA-N -1 0 497.551 5.768 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1Cl ZINC000008744456 554647791 /nfs/dbraw/zinc/64/77/91/554647791.db2.gz XJVZNBFYRTZRLW-NDENLUEZSA-N -1 0 477.948 5.880 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000008763317 554663290 /nfs/dbraw/zinc/66/32/90/554663290.db2.gz WNRSFIZDELJMQI-ZHZULCJRSA-N -1 0 476.019 5.765 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)cc2)cc1 ZINC000008763334 554663311 /nfs/dbraw/zinc/66/33/11/554663311.db2.gz FPPSMSXVUUCHHQ-QNGOZBTKSA-N -1 0 455.601 5.420 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008766485 554666889 /nfs/dbraw/zinc/66/68/89/554666889.db2.gz SVMDQAFKIHAHFV-GZTJUZNOSA-N -1 0 498.314 5.289 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000008788685 554680514 /nfs/dbraw/zinc/68/05/14/554680514.db2.gz UHJZRZADRNOVMG-ZHZULCJRSA-N -1 0 476.019 5.765 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000008816373 554698250 /nfs/dbraw/zinc/69/82/50/554698250.db2.gz DIKLBWZYGAQLJD-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000008818968 554703270 /nfs/dbraw/zinc/70/32/70/554703270.db2.gz OSDUXXDMUOHWCA-FSEGOYHTSA-N -1 0 488.439 5.661 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000008818970 554703323 /nfs/dbraw/zinc/70/33/23/554703323.db2.gz VUFFAYZFIFCMNN-FSEGOYHTSA-N -1 0 488.439 5.661 50 10 JKCARM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)c1 ZINC000008871905 554767854 /nfs/dbraw/zinc/76/78/54/554767854.db2.gz HABVRXOSNACLHX-UHFFFAOYSA-N -1 0 470.890 5.280 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000008914206 554807267 /nfs/dbraw/zinc/80/72/67/554807267.db2.gz OVYGPYPPALXMTK-BDFKGGEMSA-N -1 0 461.949 6.210 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000008914205 554807330 /nfs/dbraw/zinc/80/73/30/554807330.db2.gz OVYGPYPPALXMTK-HAFIMRKLSA-N -1 0 461.949 6.210 50 10 JKCARM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000008919696 554816519 /nfs/dbraw/zinc/81/65/19/554816519.db2.gz FYBLDXNUJIOTPI-XTZNXHDOSA-N -1 0 483.859 6.840 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000008997434 554858941 /nfs/dbraw/zinc/85/89/41/554858941.db2.gz FSUUGTKMUYHECH-LPYMAVHISA-N -1 0 463.990 6.036 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1Cl ZINC000008997352 554858987 /nfs/dbraw/zinc/85/89/87/554858987.db2.gz MAICAQDFRVXWST-QRVIBDJDSA-N -1 0 483.955 6.467 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1 ZINC000008997694 554859450 /nfs/dbraw/zinc/85/94/50/554859450.db2.gz AYMYYZAIGYQDLV-OEAKJJBVSA-N -1 0 453.473 5.644 50 10 biogenic JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000009009768 554863274 /nfs/dbraw/zinc/86/32/74/554863274.db2.gz SEQPXKJRCIZTDT-FYJGNVAPSA-N -1 0 492.362 5.427 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009016105 554866306 /nfs/dbraw/zinc/86/63/06/554866306.db2.gz PTDAHUDJYSCURV-LTGZKZEYSA-N -1 0 488.012 5.964 50 10 JKCARM Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000009057131 554876324 /nfs/dbraw/zinc/87/63/24/554876324.db2.gz JDPAUGCDCWQQEC-KQWNVCNZSA-N -1 0 490.943 5.081 50 10 JKCARM CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000009065508 554885324 /nfs/dbraw/zinc/88/53/24/554885324.db2.gz JTJOMIJHKIVFRI-QNGOZBTKSA-N -1 0 493.610 5.004 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1Cl ZINC000009066339 554885793 /nfs/dbraw/zinc/88/57/93/554885793.db2.gz NTGPWEZBFVNCGF-GZTJUZNOSA-N -1 0 470.312 5.359 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000009075949 554887211 /nfs/dbraw/zinc/88/72/11/554887211.db2.gz RRGNPUHOAMNUIZ-JTMDUIFQSA-N -1 0 459.458 5.035 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000009076331 554887718 /nfs/dbraw/zinc/88/77/18/554887718.db2.gz HRCCMIWINVDJAR-XYGWBWBKSA-N -1 0 463.537 5.227 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1 ZINC000009076560 554887801 /nfs/dbraw/zinc/88/78/01/554887801.db2.gz NVBUVRAIYWFFGH-PHQOBFFQSA-N -1 0 475.976 5.927 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000009076549 554887908 /nfs/dbraw/zinc/88/79/08/554887908.db2.gz RLABNPZMHZUNFR-RIRGPFDCSA-N -1 0 491.591 6.178 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)c1 ZINC000009089892 554890620 /nfs/dbraw/zinc/89/06/20/554890620.db2.gz QFHIJAJSFKLJJD-JJIBRWJFSA-N -1 0 467.594 5.619 50 10 JKCARM Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)[N-]C1=S ZINC000009090165 554890943 /nfs/dbraw/zinc/89/09/43/554890943.db2.gz ZBZUAVOSHPSDBT-HAVVHWLPSA-N -1 0 467.594 5.619 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009170602 554953545 /nfs/dbraw/zinc/95/35/45/554953545.db2.gz AODAHHZPIIFZNT-YIRPMMGJSA-N -1 0 496.394 6.863 50 10 JKCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c(C)c1 ZINC000009183537 554955777 /nfs/dbraw/zinc/95/57/77/554955777.db2.gz SASLFXOSBDYVFB-IWIPYMOSSA-N -1 0 463.537 5.281 50 10 JKCARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000009232976 555005509 /nfs/dbraw/zinc/00/55/09/555005509.db2.gz FKULEDPMNQQNBY-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)o2)cc1 ZINC000009310404 555086068 /nfs/dbraw/zinc/08/60/68/555086068.db2.gz YZTDYXPBDVGGOG-HYARGMPZSA-N -1 0 457.532 6.204 50 10 JKCARM Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000009310765 555086788 /nfs/dbraw/zinc/08/67/88/555086788.db2.gz XCYYCWDHNUXFMB-WOJGMQOQSA-N -1 0 499.748 5.646 50 10 JKCARM CCc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2C)C(=O)[N-]C1=S ZINC000009311813 555088266 /nfs/dbraw/zinc/08/82/66/555088266.db2.gz PVTWGBILPOGHOY-BWAHOGKJSA-N -1 0 491.616 5.846 50 10 JKCARM Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)[N-]C2=S)c1 ZINC000009323224 555096303 /nfs/dbraw/zinc/09/63/03/555096303.db2.gz UJQXRGAUJDUGLY-LDADJPATSA-N -1 0 464.631 5.435 50 10 JKCARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000009339686 555108204 /nfs/dbraw/zinc/10/82/04/555108204.db2.gz WBGJSFNQIYFLQJ-JWGURIENSA-N -1 0 491.638 5.694 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000009355093 555119681 /nfs/dbraw/zinc/11/96/81/555119681.db2.gz UCYLNKNEJAKATG-UQQQWYQISA-N -1 0 471.626 5.576 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000009424573 555189143 /nfs/dbraw/zinc/18/91/43/555189143.db2.gz QRDNCYKXXSPFRR-UCQKPKSFSA-N -1 0 461.562 5.188 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1Cl ZINC000009427585 555192763 /nfs/dbraw/zinc/19/27/63/555192763.db2.gz QNICSQHGQZLUOO-UVTDQMKNSA-N -1 0 491.714 5.582 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000009427565 555192798 /nfs/dbraw/zinc/19/27/98/555192798.db2.gz IAINAXBDWPPDTD-XIPZWBGBSA-N -1 0 491.591 6.427 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 ZINC000009428419 555194019 /nfs/dbraw/zinc/19/40/19/555194019.db2.gz XCUURFLWCVIYTD-GWVNWDGKSA-N -1 0 491.591 6.427 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000009477345 555258124 /nfs/dbraw/zinc/25/81/24/555258124.db2.gz IAINAXBDWPPDTD-ZQHRETPFSA-N -1 0 491.591 6.427 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000009477499 555258350 /nfs/dbraw/zinc/25/83/50/555258350.db2.gz SDISEBFVSXTXDU-OYJNRBEISA-N -1 0 459.521 5.413 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCCOc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009477476 555258468 /nfs/dbraw/zinc/25/84/68/555258468.db2.gz ZYERTSFOSOXGJB-XHPQRKPJSA-N -1 0 493.563 5.339 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000009477587 555258625 /nfs/dbraw/zinc/25/86/25/555258625.db2.gz RPDKAZCSJLRMMB-ITYLOYPMSA-N -1 0 493.563 5.258 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009478030 555259748 /nfs/dbraw/zinc/25/97/48/555259748.db2.gz BXURNAONIBVMOF-WFSKJOQISA-N -1 0 477.564 5.870 50 10 JKCARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)c2cccc(Cl)c2)cc1 ZINC000009514553 555305261 /nfs/dbraw/zinc/30/52/61/555305261.db2.gz IIYYGYIABPYBDI-UHFFFAOYSA-N -1 0 464.768 5.443 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009668608 555382381 /nfs/dbraw/zinc/38/23/81/555382381.db2.gz GCHNFRSJEWRHBR-XDHOZWIPSA-N -1 0 497.334 5.073 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013549658 555491063 /nfs/dbraw/zinc/49/10/63/555491063.db2.gz XVICOOHETOWQRD-JAIQZWGSSA-N -1 0 482.367 6.524 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1 ZINC000013550663 555491577 /nfs/dbraw/zinc/49/15/77/555491577.db2.gz QHPNSYORODDNQJ-HBTCSRNFSA-N -1 0 471.557 5.055 50 10 JKCARM CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000009805571 555517471 /nfs/dbraw/zinc/51/74/71/555517471.db2.gz HBMZTCIZXAAJLW-MOSHPQCFSA-N -1 0 451.525 5.449 50 10 JKCARM COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000009805742 555518025 /nfs/dbraw/zinc/51/80/25/555518025.db2.gz AHGLAQAXGBLVJK-CPNJWEJPSA-N -1 0 469.324 5.042 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000009849586 555551757 /nfs/dbraw/zinc/55/17/57/555551757.db2.gz XRQOROWWOMCIAW-WQRHYEAKSA-N -1 0 486.368 5.813 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000013659829 555555981 /nfs/dbraw/zinc/55/59/81/555555981.db2.gz XLLCCCIABDHLJY-YLPLVBRQSA-N -1 0 491.975 5.400 50 10 JKCARM Cc1cc(C)cc(OCCn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000013660230 555556181 /nfs/dbraw/zinc/55/61/81/555556181.db2.gz HCCPPJRDYYVUSG-XYGWBWBKSA-N -1 0 497.526 5.143 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3)C2=O)cc1 ZINC000013685479 555578931 /nfs/dbraw/zinc/57/89/31/555578931.db2.gz IGMALDGGAZAJGC-NWUSPQHDSA-N -1 0 457.530 5.587 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000013689525 555583150 /nfs/dbraw/zinc/58/31/50/555583150.db2.gz AODAHHZPIIFZNT-AKGOGDBKSA-N -1 0 496.394 6.023 50 10 JKCARM COc1cc(C)ccc1OCCn1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000013751566 555609919 /nfs/dbraw/zinc/60/99/19/555609919.db2.gz CZDUJWHNJARNCI-XSFVSMFZSA-N -1 0 493.947 5.353 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013805206 555623018 /nfs/dbraw/zinc/62/30/18/555623018.db2.gz NGSZVKITUOELLM-SFHLNBCPSA-N -1 0 489.742 5.404 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013810888 555626534 /nfs/dbraw/zinc/62/65/34/555626534.db2.gz DWROTSDKPAMJAG-SFHLNBCPSA-N -1 0 489.742 5.404 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000013879978 555638510 /nfs/dbraw/zinc/63/85/10/555638510.db2.gz NVUKORQUPZTYNX-WJDWOHSUSA-N -1 0 471.365 5.702 50 10 JKCARM Cc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c(C)c1 ZINC000013894559 555642238 /nfs/dbraw/zinc/64/22/38/555642238.db2.gz DCSJATGWMINGTB-XQNSMLJCSA-N -1 0 490.943 5.921 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000013895624 555642797 /nfs/dbraw/zinc/64/27/97/555642797.db2.gz JDNCHWVBCPMVFN-WJDWOHSUSA-N -1 0 482.246 5.124 50 10 JKCARM Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000013898628 555645109 /nfs/dbraw/zinc/64/51/09/555645109.db2.gz NWZSSUSLAXNHME-ZHZULCJRSA-N -1 0 483.351 5.221 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc([C@@H](C)CC)cc3)C2=O)cc1 ZINC000013940699 555651855 /nfs/dbraw/zinc/65/18/55/555651855.db2.gz ATOKWDIIQZKAIK-HOIQBIFOSA-N -1 0 485.584 6.150 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000013940931 555652187 /nfs/dbraw/zinc/65/21/87/555652187.db2.gz IMOWYUACIIXSAS-LFVJCYFKSA-N -1 0 482.923 5.739 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000020168316 555678998 /nfs/dbraw/zinc/67/89/98/555678998.db2.gz SZMKHYLMFCQDMN-QZTJIDSGSA-N -1 0 463.640 5.974 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2cccc3ccccc32)o1 ZINC000020238526 555732097 /nfs/dbraw/zinc/73/20/97/555732097.db2.gz USTUYXXYVXNMBF-ZHZULCJRSA-N -1 0 474.925 6.744 50 10 JKCARM COc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1 ZINC000020324530 555772223 /nfs/dbraw/zinc/77/22/23/555772223.db2.gz WAJLUHMPCBTCNS-PDGQHHTCSA-N -1 0 499.342 5.709 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(SCc2ccccc2)o1 ZINC000020324525 555772243 /nfs/dbraw/zinc/77/22/43/555772243.db2.gz UIDVFMPZIQDKEX-PDGQHHTCSA-N -1 0 483.343 5.841 50 10 JKCARM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C1=O ZINC000020324468 555772283 /nfs/dbraw/zinc/77/22/83/555772283.db2.gz CNSGUBRUXMKXFL-CTFRJJSNSA-N -1 0 466.946 6.289 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000020344749 555778681 /nfs/dbraw/zinc/77/86/81/555778681.db2.gz HBKHFGIHJVSICG-UDWIEESQSA-N -1 0 498.377 5.667 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000015012840 555854730 /nfs/dbraw/zinc/85/47/30/555854730.db2.gz RYYFWEPYORGYOH-JAIQZWGSSA-N -1 0 467.953 5.026 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000015013094 555854774 /nfs/dbraw/zinc/85/47/74/555854774.db2.gz AUJVGAKMDJTVQG-JAIQZWGSSA-N -1 0 494.906 5.042 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000015012836 555854819 /nfs/dbraw/zinc/85/48/19/555854819.db2.gz RZIQIQUNMUAHOG-IWIPYMOSSA-N -1 0 469.541 5.218 50 10 JKCARM COc1cc([N+](=O)[O-])cc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c1[O-] ZINC000022077980 555871976 /nfs/dbraw/zinc/87/19/76/555871976.db2.gz HIRWERIBQUXYIX-DEOSSOPVSA-N -1 0 484.936 5.127 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S ZINC000012032251 555887130 /nfs/dbraw/zinc/88/71/30/555887130.db2.gz VVNYEVFVQPJEGW-OBGWFSINSA-N -1 0 450.582 5.392 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000022276478 555914035 /nfs/dbraw/zinc/91/40/35/555914035.db2.gz FWJDGTVSQWECQH-ODLFYWEKSA-N -1 0 485.298 5.378 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000015799745 556008041 /nfs/dbraw/zinc/00/80/41/556008041.db2.gz GXBRLISUVPZOIY-FYJGNVAPSA-N -1 0 492.915 5.443 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000015837328 556020956 /nfs/dbraw/zinc/02/09/56/556020956.db2.gz QIWXNWBUXYHEOH-HYARGMPZSA-N -1 0 490.487 5.319 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000023382856 556050495 /nfs/dbraw/zinc/05/04/95/556050495.db2.gz HQFCJMVNIKUMNQ-XYGWBWBKSA-N -1 0 471.557 6.237 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000023402429 556051756 /nfs/dbraw/zinc/05/17/56/556051756.db2.gz HNZNLUSQZJLAJZ-ATVHPVEESA-N -1 0 473.743 5.687 50 10 JKCARM COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)[O-])c4)N=C3C)o2)ccc1Cl ZINC000015938854 556075222 /nfs/dbraw/zinc/07/52/22/556075222.db2.gz JIKDEUPKGDUAIM-WJDWOHSUSA-N -1 0 499.306 5.544 50 10 JKCARM O=C1/C(=C/c2cc(Cl)cc(Br)c2[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000016949057 556183539 /nfs/dbraw/zinc/18/35/39/556183539.db2.gz FXPJBGYLEPMTQL-MLPAPPSSSA-N -1 0 471.741 5.122 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000017123536 556220184 /nfs/dbraw/zinc/22/01/84/556220184.db2.gz LSSNIFHABSVFRH-WJDWOHSUSA-N -1 0 453.863 5.180 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025559595 556220857 /nfs/dbraw/zinc/22/08/57/556220857.db2.gz IEDFKTDQDQWIOB-JXFKEZNVSA-N -1 0 496.213 6.765 50 10 JKCARM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000025577644 556223752 /nfs/dbraw/zinc/22/37/52/556223752.db2.gz XPYHNJCMMCIDAV-NFBKMPQASA-N -1 0 475.759 6.603 50 10 JKCARM O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000026963391 556266866 /nfs/dbraw/zinc/26/68/66/556266866.db2.gz FYHLPZYUSGXCKZ-UHFFFAOYSA-N -1 0 461.282 5.017 50 10 JKCARM COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000027519460 556282700 /nfs/dbraw/zinc/28/27/00/556282700.db2.gz ZGDRDWKRLDNVJO-CPNJWEJPSA-N -1 0 476.326 5.627 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1 ZINC000027520658 556283649 /nfs/dbraw/zinc/28/36/49/556283649.db2.gz FLCQXFHOWGRXBS-BOPFTXTBSA-N -1 0 455.297 6.377 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000027532420 556292741 /nfs/dbraw/zinc/29/27/41/556292741.db2.gz HHRARRALGREBDN-CPNJWEJPSA-N -1 0 466.921 5.730 50 10 JKCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C2=O)c1 ZINC000027570522 556298181 /nfs/dbraw/zinc/29/81/81/556298181.db2.gz VTXQMOQXJXFDLU-LFVJCYFKSA-N -1 0 481.508 5.236 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000018181288 556299410 /nfs/dbraw/zinc/29/94/10/556299410.db2.gz GCHNFRSJEWRHBR-UNOMPAQXSA-N -1 0 497.334 5.073 50 10 JKCARM Cc1ccc(OCCn2cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1C ZINC000018190216 556300893 /nfs/dbraw/zinc/30/08/93/556300893.db2.gz BZVCGUYLGFOKOE-UQQQWYQISA-N -1 0 485.584 5.132 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000019320269 556340972 /nfs/dbraw/zinc/34/09/72/556340972.db2.gz NNGJTYPDAQYGOX-UHFFFAOYSA-N -1 0 482.238 7.022 50 10 JKCARM COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000019330097 556342086 /nfs/dbraw/zinc/34/20/86/556342086.db2.gz AZDJFIIWSGLZMG-UHFFFAOYSA-N -1 0 487.427 6.123 50 10 JKCARM Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019597082 556356938 /nfs/dbraw/zinc/35/69/38/556356938.db2.gz KHYYQDGXOOPVAZ-HOTGVXAUSA-N -1 0 477.479 5.536 50 10 biogenic JKCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc32)CC1 ZINC000019789752 556369964 /nfs/dbraw/zinc/36/99/64/556369964.db2.gz JIGGCYGJVLLBDQ-UHFFFAOYSA-N -1 0 490.522 5.355 50 10 biogenic JKCARM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000030708156 556370517 /nfs/dbraw/zinc/37/05/17/556370517.db2.gz YXPMQARXMIXMBM-QDLOHUEYSA-N -1 0 488.550 5.155 50 10 JKCARM O=c1c2ccc([O-])c(CN3CCOCC3)c2oc(C(F)(F)F)c1-c1cccc2ccccc21 ZINC000019791552 556370755 /nfs/dbraw/zinc/37/07/55/556370755.db2.gz GQLSBNHAMXXMCG-UHFFFAOYSA-N -1 0 455.432 5.170 50 10 JKCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4Cl)c(C(F)(F)F)oc32)CC1 ZINC000019791514 556370808 /nfs/dbraw/zinc/37/08/08/556370808.db2.gz VUOLHOFKGYHINW-UHFFFAOYSA-N -1 0 487.305 5.239 50 10 biogenic JKCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)CC1 ZINC000019793026 556371814 /nfs/dbraw/zinc/37/18/14/556371814.db2.gz XJDRDFDVHUZYIA-UHFFFAOYSA-N -1 0 482.886 5.101 50 10 JKCARM O=c1c(-c2ccccc2Cl)coc2c1ccc([O-])c2CN1CCN(Cc2ccccc2)CC1 ZINC000019793072 556372171 /nfs/dbraw/zinc/37/21/71/556372171.db2.gz PYPZPBCLWOOIKU-UHFFFAOYSA-N -1 0 460.961 5.137 50 10 JKCARM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCN(CC)CC4)c3oc2C(F)(F)F)cc1 ZINC000019793049 556372194 /nfs/dbraw/zinc/37/21/94/556372194.db2.gz WFUCBVVEYCLGRS-UHFFFAOYSA-N -1 0 476.495 5.010 50 10 JKCARM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793046 556372395 /nfs/dbraw/zinc/37/23/95/556372395.db2.gz XOOJCFHQWJTIQF-GJZGRUSLSA-N -1 0 477.479 5.481 50 10 JKCARM CCCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCOCC4)c3oc2C(F)(F)F)cc1 ZINC000019793904 556373476 /nfs/dbraw/zinc/37/34/76/556373476.db2.gz YXUPIQGZLLKWRA-UHFFFAOYSA-N -1 0 463.452 5.094 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000032694355 556471800 /nfs/dbraw/zinc/47/18/00/556471800.db2.gz SDOXFSBAELIPCT-DWFNGTSHSA-N -1 0 475.591 5.601 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)c2)cc1 ZINC000032694361 556472034 /nfs/dbraw/zinc/47/20/34/556472034.db2.gz PLERMQVKSNXUAH-DWFNGTSHSA-N -1 0 475.591 5.601 50 10 JKCARM CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000035393722 563120163 /nfs/dbraw/zinc/12/01/63/563120163.db2.gz FQVYRZIXNQSVRU-ZHZULCJRSA-N -1 0 460.511 5.103 50 10 JKCARM CCn1nc(C)c(N=Cc2c(C)[n-]n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2=O)c1C ZINC000008721678 569598639 /nfs/dbraw/zinc/59/86/39/569598639.db2.gz ZSJMWKQPBFWGBY-XYGWBWBKSA-N -1 0 457.622 5.706 50 10 JKCARM CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000033926498 569637751 /nfs/dbraw/zinc/63/77/51/569637751.db2.gz JYDOPSFZVJNTIA-HMAPJEAMSA-N -1 0 491.931 5.431 50 10 JKCARM O=C1/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])SC(=S)N1Cc1ccccc1 ZINC000035079380 569674354 /nfs/dbraw/zinc/67/43/54/569674354.db2.gz MTIZOBXTKGIBAK-KGENOOAVSA-N -1 0 462.552 5.293 50 10 JKCARM O=C1/C(=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])SC(=S)N1Cc1ccccc1 ZINC000035079378 569674375 /nfs/dbraw/zinc/67/43/75/569674375.db2.gz MTIZOBXTKGIBAK-STZFKDTASA-N -1 0 462.552 5.293 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309658 569708487 /nfs/dbraw/zinc/70/84/87/569708487.db2.gz GSGVRKDVFKMHGR-FYJGNVAPSA-N -1 0 494.414 5.837 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000085875009 569715761 /nfs/dbraw/zinc/71/57/61/569715761.db2.gz JHDMWJQJMQHLHP-UHFFFAOYSA-N -1 0 475.501 5.225 50 10 biogenic JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O ZINC000085877940 569716145 /nfs/dbraw/zinc/71/61/45/569716145.db2.gz QEJGHKRTTWGNCT-UHFFFAOYSA-N -1 0 475.501 5.312 50 10 biogenic JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000035898101 569723374 /nfs/dbraw/zinc/72/33/74/569723374.db2.gz WZBBVSIUHDLBJA-YRIPVTTJSA-N -1 0 461.624 5.151 50 10 JKCARM CC(C)n1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cn1 ZINC000095472154 569723588 /nfs/dbraw/zinc/72/35/88/569723588.db2.gz SDGYOPULFQIJEF-UHFFFAOYSA-N -1 0 475.549 6.177 50 10 JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(Br)cc1 ZINC000095480004 569724591 /nfs/dbraw/zinc/72/45/91/569724591.db2.gz AHTFGFBMALIJSD-UHFFFAOYSA-N -1 0 454.280 5.458 50 10 JKCARM CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114023 569733044 /nfs/dbraw/zinc/73/30/44/569733044.db2.gz PRSMVNCLGBKJCN-QGZVFWFLSA-N -1 0 458.466 5.099 50 10 biogenic JKCARM CC(C)COc1ccccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096114576 569733668 /nfs/dbraw/zinc/73/36/68/569733668.db2.gz XEWBRUCWQHDOKF-QGZVFWFLSA-N -1 0 488.492 5.053 50 10 biogenic JKCARM COc1cccc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C ZINC000096115079 569734084 /nfs/dbraw/zinc/73/40/84/569734084.db2.gz FUGUXEPADIKDCN-QGZVFWFLSA-N -1 0 488.492 5.108 50 10 biogenic JKCARM CCOC(=O)c1ccc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1 ZINC000100217754 569755731 /nfs/dbraw/zinc/75/57/31/569755731.db2.gz RDXQSBAQKSWFNN-XNTDXEJSSA-N -1 0 452.725 5.542 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c1=O ZINC000100296102 569756925 /nfs/dbraw/zinc/75/69/25/569756925.db2.gz SQZMKTNBEVCIMQ-XYOKQWHBSA-N -1 0 455.685 5.282 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1 ZINC000100505525 569763121 /nfs/dbraw/zinc/76/31/21/569763121.db2.gz GJXYPAQFQVILJQ-DUPNKOKHSA-N -1 0 456.325 5.153 50 10 JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000100524979 569763599 /nfs/dbraw/zinc/76/35/99/569763599.db2.gz LEFFRWWFPJOQDW-PZPYUUCDSA-N -1 0 460.346 6.001 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000100524872 569763635 /nfs/dbraw/zinc/76/36/35/569763635.db2.gz ZZCMIKJGLRRABO-GSWFEHRJSA-N -1 0 475.317 5.900 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000100524885 569763639 /nfs/dbraw/zinc/76/36/39/569763639.db2.gz AWKYGGIXMIEMTC-RMBMZXQHSA-N -1 0 482.407 6.373 50 10 JKCARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000100525151 569763672 /nfs/dbraw/zinc/76/36/72/569763672.db2.gz BZZAOKJCSFWLTI-WWDJGNSZSA-N -1 0 484.379 5.846 50 10 JKCARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000100525158 569763717 /nfs/dbraw/zinc/76/37/17/569763717.db2.gz HNMNNQWBCIPMFF-WWDJGNSZSA-N -1 0 484.379 5.846 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000100525212 569763723 /nfs/dbraw/zinc/76/37/23/569763723.db2.gz AFLKVIDHAOYYLC-GSWFEHRJSA-N -1 0 474.771 6.101 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C ZINC000101135910 569784160 /nfs/dbraw/zinc/78/41/60/569784160.db2.gz IJJJGWCYBWHYOW-XYGWBWBKSA-N -1 0 469.585 5.350 50 10 JKCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccc(OCc4ccccc4Cl)cc3)c-2cc1O ZINC000101707808 569803053 /nfs/dbraw/zinc/80/30/53/569803053.db2.gz ZGSFACZQHQGFID-UHFFFAOYSA-N -1 0 460.869 5.914 50 10 JKCARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O ZINC000102759460 569821497 /nfs/dbraw/zinc/82/14/97/569821497.db2.gz PROHNLRRZLTDRT-QNWVGRARSA-N -1 0 499.350 5.149 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102761842 569822314 /nfs/dbraw/zinc/82/23/14/569822314.db2.gz NGSZVKITUOELLM-IRFCIJBXSA-N -1 0 489.742 5.404 50 10 JKCARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)cc1 ZINC000102762416 569822564 /nfs/dbraw/zinc/82/25/64/569822564.db2.gz MKHNEAQWPHFKIP-QNWVGRARSA-N -1 0 499.350 5.149 50 10 JKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000103636842 569836843 /nfs/dbraw/zinc/83/68/43/569836843.db2.gz QDUCXBKVUGVUNR-LCYFTJDESA-N -1 0 469.564 5.584 50 10 JKCARM CCCCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000044827057 569839372 /nfs/dbraw/zinc/83/93/72/569839372.db2.gz VNCJCPGDCZBPNK-XMHGGMMESA-N -1 0 483.590 5.297 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 ZINC000217682693 569880983 /nfs/dbraw/zinc/88/09/83/569880983.db2.gz AGLJHKDQSANDEZ-LLGFUMIMSA-N -1 0 498.423 5.755 50 10 JKCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3cccc(OCCc4ccc5c(c4)CCO5)c3)c2ccc1O ZINC000217939419 569882236 /nfs/dbraw/zinc/88/22/36/569882236.db2.gz NAJQFIBRIHQTGM-UHFFFAOYSA-N -1 0 479.492 5.492 50 10 biogenic JKCARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000239174192 570049218 /nfs/dbraw/zinc/04/92/18/570049218.db2.gz PMEJTYIMDWFGBO-BPQIPLTHSA-N -1 0 461.624 5.462 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000252462134 570081275 /nfs/dbraw/zinc/08/12/75/570081275.db2.gz QBSFJGZXEIFEEG-GOSISDBHSA-N -1 0 454.353 5.756 50 10 JKCARM CN(C)c1ccccc1NC(=O)C1=CC(=NNc2ccccc2S(=O)(=O)[O-])c2ccccc2C1=O ZINC000252630119 570089289 /nfs/dbraw/zinc/08/92/89/570089289.db2.gz UUZARGJVKYTFKQ-UHFFFAOYSA-N -1 0 490.541 5.526 50 10 JKCARM Cc1c(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000001088469 194021724 /nfs/dbraw/zinc/02/17/24/194021724.db2.gz DTNXMKYBCQGPQK-BUVRLJJBSA-N -1 0 483.955 5.313 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000001092448 194022435 /nfs/dbraw/zinc/02/24/35/194022435.db2.gz STDVJUPLJIZSOB-HAHDFKILSA-N -1 0 469.928 5.567 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001125948 194036199 /nfs/dbraw/zinc/03/61/99/194036199.db2.gz IIQRZODHIOHSAO-CXUHLZMHSA-N -1 0 498.322 5.636 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000001137728 194043054 /nfs/dbraw/zinc/04/30/54/194043054.db2.gz RZIQIQUNMUAHOG-BUVRLJJBSA-N -1 0 469.541 5.218 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001158051 194053434 /nfs/dbraw/zinc/05/34/34/194053434.db2.gz BKXRKKGYKIZGCA-GIJQJNRQSA-N -1 0 498.409 5.257 50 10 JKCARM O=C([O-])CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000001452585 194123405 /nfs/dbraw/zinc/12/34/05/194123405.db2.gz FSRVYXQOXYGCLR-CPNJWEJPSA-N -1 0 484.002 5.259 50 10 JKCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001816109 194145654 /nfs/dbraw/zinc/14/56/54/194145654.db2.gz WGVRSOQZOKDYNN-LFVJCYFKSA-N -1 0 467.500 5.374 50 10 JKCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000002936420 194174040 /nfs/dbraw/zinc/17/40/40/194174040.db2.gz JERBJOUAOFVBBW-WOJGMQOQSA-N -1 0 467.890 5.488 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)o2)ccc1Cl ZINC000002986403 194195515 /nfs/dbraw/zinc/19/55/15/194195515.db2.gz ULYKMUAVDIFCPY-NVMNQCDNSA-N -1 0 456.932 5.095 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)C1=Cc1cccc2ccccc12 ZINC000002989774 194196191 /nfs/dbraw/zinc/19/61/91/194196191.db2.gz CXNJOPYMAMGRCC-LFVJCYFKSA-N -1 0 482.923 6.579 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000002994380 194197613 /nfs/dbraw/zinc/19/76/13/194197613.db2.gz YDCALHUBTKPAFL-CPNJWEJPSA-N -1 0 481.474 5.396 50 10 JKCARM CCOc1ccc(-c2nc3cc(NCc4cc([N+](=O)[O-])cc(Br)c4[O-])ccc3o2)cc1 ZINC000003013750 194206879 /nfs/dbraw/zinc/20/68/79/194206879.db2.gz ZQPTXWYQUGUAOA-UHFFFAOYSA-N -1 0 484.306 5.882 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccnc3)SC2=S)cc1 ZINC000003329583 194284779 /nfs/dbraw/zinc/28/47/79/194284779.db2.gz QIGITPYMIZSHBC-FYJGNVAPSA-N -1 0 484.562 5.038 50 10 JKCARM C[C@@H]1C[C@@H](C)CN(c2cc(Nc3ccccc3C(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742021 194359607 /nfs/dbraw/zinc/35/96/07/194359607.db2.gz HQQHYDSAYJUPSU-HZPDHXFCSA-N -1 0 467.525 5.963 50 10 JKCARM O=C([O-])c1ccccc1Nc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000003742015 194359673 /nfs/dbraw/zinc/35/96/73/194359673.db2.gz WPQARWFIJOGBCL-UHFFFAOYSA-N -1 0 453.498 5.861 50 10 JKCARM COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)o1 ZINC000003764403 194359891 /nfs/dbraw/zinc/35/98/91/194359891.db2.gz KSQIBIGNULHZSX-LICLKQGHSA-N -1 0 476.988 5.216 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000009076287 194521814 /nfs/dbraw/zinc/52/18/14/194521814.db2.gz YMPOYQOXMZSAAY-UFAQQFSPSA-N -1 0 495.554 6.009 50 10 JKCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)SC1=S ZINC000009232391 194617896 /nfs/dbraw/zinc/61/78/96/194617896.db2.gz PAFIGZFANZZTIX-YBFXNURJSA-N -1 0 455.944 6.012 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC1=S ZINC000009323707 194691821 /nfs/dbraw/zinc/69/18/21/194691821.db2.gz OHINFMDNBJJADN-WUXMJOGZSA-N -1 0 490.809 5.133 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 ZINC000009358758 194712416 /nfs/dbraw/zinc/71/24/16/194712416.db2.gz GAECNLAKEDYSNO-BOPFTXTBSA-N -1 0 457.269 5.769 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cccc(C)c3)C2=O)cc1 ZINC000009427538 194768998 /nfs/dbraw/zinc/76/89/98/194768998.db2.gz JFKWYPGZMMWJGP-FVBVXOILSA-N -1 0 471.557 5.055 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000009891947 195015769 /nfs/dbraw/zinc/01/57/69/195015769.db2.gz HPJRGBSFQBGXPJ-RVDMUPIBSA-N -1 0 471.256 5.199 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1 ZINC000009933392 195025252 /nfs/dbraw/zinc/02/52/52/195025252.db2.gz MDZGIWUHIZMGBM-LTGZKZEYSA-N -1 0 478.460 6.024 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000009884790 195014055 /nfs/dbraw/zinc/01/40/55/195014055.db2.gz VPYGCSKRCYSMCT-GQEMFKIVSA-N -1 0 455.944 5.627 50 10 JKCARM O=C([O-])c1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000009934768 195027428 /nfs/dbraw/zinc/02/74/28/195027428.db2.gz PEWRSEZTGASBBB-UDWIEESQSA-N -1 0 450.321 6.159 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)SC2=S)c1 ZINC000012630971 195063118 /nfs/dbraw/zinc/06/31/18/195063118.db2.gz ABGWQSOZYZETPI-MTJSOVHGSA-N -1 0 465.527 5.509 50 10 JKCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000012868232 195162482 /nfs/dbraw/zinc/16/24/82/195162482.db2.gz OCXBGHNELHAQDE-HYARGMPZSA-N -1 0 472.501 5.233 50 10 JKCARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@@H](C)O[C@@H](C)C3)c2oc1C(F)(F)F ZINC000012374446 519847766 /nfs/dbraw/zinc/84/77/66/519847766.db2.gz JEEJNSSKDTWJGZ-IYBDPMFKSA-N -1 0 491.506 6.042 50 10 JKCARM CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C)o2)ccc1Cl ZINC000033055321 520222182 /nfs/dbraw/zinc/22/21/82/520222182.db2.gz JEFRHYBFFMYEOR-ZHZULCJRSA-N -1 0 492.915 5.671 50 10 JKCARM CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000016156243 520629921 /nfs/dbraw/zinc/62/99/21/520629921.db2.gz JIPNXCWRNQMBHA-UUYOSTAYSA-N -1 0 490.943 5.822 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000012412865 520894441 /nfs/dbraw/zinc/89/44/41/520894441.db2.gz XJSXZPGKPAMVRK-GZTJUZNOSA-N -1 0 485.721 5.867 50 10 JKCARM CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c1 ZINC000013752284 520899356 /nfs/dbraw/zinc/89/93/56/520899356.db2.gz SUWVZUXXGXXBGH-STZFKDTASA-N -1 0 493.610 5.004 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)c1 ZINC000001203818 521382631 /nfs/dbraw/zinc/38/26/31/521382631.db2.gz ALWRWBFFXZSIFJ-DEDYPNTBSA-N -1 0 477.498 5.234 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1 ZINC000012414309 521459094 /nfs/dbraw/zinc/45/90/94/521459094.db2.gz AHACRWOJRGTGSO-URBQWANRSA-N -1 0 493.562 5.150 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013810249 521459142 /nfs/dbraw/zinc/45/91/42/521459142.db2.gz SHCAEYXLJLUHPF-UYRXBGFRSA-N -1 0 464.861 5.283 50 10 JKCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000016156674 521933350 /nfs/dbraw/zinc/93/33/50/521933350.db2.gz QGWIFYLFBOCTMN-HYARGMPZSA-N -1 0 490.899 5.212 50 10 JKCARM COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C(F)(F)F)ccc1OCc1ccccc1 ZINC000002995469 521958990 /nfs/dbraw/zinc/95/89/90/521958990.db2.gz OQBIMGGNEYPZDQ-MOSHPQCFSA-N -1 0 496.441 5.321 50 10 JKCARM COc1cc(Cl)c(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000001186210 522505118 /nfs/dbraw/zinc/50/51/18/522505118.db2.gz VWBJVLLUFSQEPE-UXBLZVDNSA-N -1 0 471.749 5.336 50 10 JKCARM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCN(c4cccc(Cl)c4)CC3)c2=O)cc1 ZINC000041585358 523078456 /nfs/dbraw/zinc/07/84/56/523078456.db2.gz OLSSYRIVXFQPFO-UHFFFAOYSA-N -1 0 490.987 5.458 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000002982286 523408379 /nfs/dbraw/zinc/40/83/79/523408379.db2.gz PTCXBOYCAOYOSI-HYARGMPZSA-N -1 0 462.889 5.434 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000016212299 523962833 /nfs/dbraw/zinc/96/28/33/523962833.db2.gz RCGLTMAOXDHIIB-HAHDFKILSA-N -1 0 471.469 5.243 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000001201853 524383132 /nfs/dbraw/zinc/38/31/32/524383132.db2.gz GCGVQFFVKSWBAD-FYJGNVAPSA-N -1 0 492.528 5.094 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 ZINC000027520673 524924371 /nfs/dbraw/zinc/92/43/71/524924371.db2.gz OFEHAFMFVPFPJP-DEDYPNTBSA-N -1 0 491.341 5.843 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5ccccc54)o3)C2=O)cc1 ZINC000020238493 524925555 /nfs/dbraw/zinc/92/55/55/524925555.db2.gz XQLVOUDZAJDKNV-QNGOZBTKSA-N -1 0 454.507 6.399 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 ZINC000016292667 524927855 /nfs/dbraw/zinc/92/78/55/524927855.db2.gz MOEFEUDVGLKRDC-HYARGMPZSA-N -1 0 491.341 5.003 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000016293165 524979417 /nfs/dbraw/zinc/97/94/17/524979417.db2.gz NFUMCZIDIFZIKQ-BETUJISGSA-N -1 0 483.870 5.572 50 10 JKCARM Cc1ccccc1COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000013893557 525172332 /nfs/dbraw/zinc/17/23/32/525172332.db2.gz LMGMUOSFLGFKFT-HYARGMPZSA-N -1 0 491.341 5.003 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000040567467 525519613 /nfs/dbraw/zinc/51/96/13/525519613.db2.gz OSDUXXDMUOHWCA-CIKBWMHTSA-N -1 0 488.439 5.661 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000040567442 525557096 /nfs/dbraw/zinc/55/70/96/525557096.db2.gz VUFFAYZFIFCMNN-SLVCOGOPSA-N -1 0 488.439 5.661 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C(C)C)cc3)o2)SC1=S ZINC000040564289 525558497 /nfs/dbraw/zinc/55/84/97/525558497.db2.gz KRQSFLAUGSQSEH-UEXNTNOUSA-N -1 0 461.630 5.478 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000008823930 525742802 /nfs/dbraw/zinc/74/28/02/525742802.db2.gz HBTLACYQTVCBGB-DBRLUCFCSA-N -1 0 494.550 5.060 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000016676216 526085759 /nfs/dbraw/zinc/08/57/59/526085759.db2.gz HSQYOVWDMFFJED-RGVLZGJSSA-N -1 0 480.933 5.327 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000016268522 526087431 /nfs/dbraw/zinc/08/74/31/526087431.db2.gz NQUMBLVVWUHSJI-UDWIEESQSA-N -1 0 453.420 5.620 50 10 JKCARM COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000006088773 526210496 /nfs/dbraw/zinc/21/04/96/526210496.db2.gz SOAFFYNTNJRBTG-RQTOMXEWSA-N -1 0 476.554 5.021 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000002700654 526316391 /nfs/dbraw/zinc/31/63/91/526316391.db2.gz NFNCRYJJVRVYMC-BHJKQYKASA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)ccc1Cl ZINC000015012084 526341573 /nfs/dbraw/zinc/34/15/73/526341573.db2.gz ZDDVEKTVWSFYQX-VCHYOVAHSA-N -1 0 459.907 5.843 50 10 JKCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000013941836 526357570 /nfs/dbraw/zinc/35/75/70/526357570.db2.gz QFQXZZPDZFCBIQ-WOJGMQOQSA-N -1 0 475.469 6.069 50 10 JKCARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000002914742 526359783 /nfs/dbraw/zinc/35/97/83/526359783.db2.gz QFQXZZPDZFCBIQ-WQRHYEAKSA-N -1 0 475.469 6.069 50 10 JKCARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)cc1 ZINC000006103604 526379525 /nfs/dbraw/zinc/37/95/25/526379525.db2.gz CTTOGPAAVKCXEG-YDIMBITNSA-N -1 0 464.518 5.151 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000020495244 526940400 /nfs/dbraw/zinc/94/04/00/526940400.db2.gz UGJBMKAXFAWNKR-GXDHUFHOSA-N -1 0 471.853 5.319 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000016944611 526945059 /nfs/dbraw/zinc/94/50/59/526945059.db2.gz KNVQLKVPENBMKQ-YBEGLDIGSA-N -1 0 461.301 6.064 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1cc([N+](=O)[O-])ccc1Cl ZINC000020210197 527046004 /nfs/dbraw/zinc/04/60/04/527046004.db2.gz HZEKUSUIRPYHSQ-YBEGLDIGSA-N -1 0 471.256 5.199 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008737948 527046151 /nfs/dbraw/zinc/04/61/51/527046151.db2.gz DAHZDXWAGFYDQX-GZTJUZNOSA-N -1 0 482.246 5.124 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001185660 527046491 /nfs/dbraw/zinc/04/64/91/527046491.db2.gz GKPNJUSTIGGLPY-CPNJWEJPSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000033352777 527046860 /nfs/dbraw/zinc/04/68/60/527046860.db2.gz ZRRMZDUBQXAMMI-ODLFYWEKSA-N -1 0 494.334 6.092 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000036081973 527048035 /nfs/dbraw/zinc/04/80/35/527048035.db2.gz GFYFOVDZPMOQQA-LFIBNONCSA-N -1 0 471.694 5.029 50 10 JKCARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(CNc2ccc(-c3nc4ccccc4s3)cc2)c1[O-] ZINC000036187702 527330773 /nfs/dbraw/zinc/33/07/73/527330773.db2.gz LSPDGOQSTBZRPJ-UHFFFAOYSA-N -1 0 467.550 6.780 50 10 JKCARM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)c1 ZINC000006142733 527355829 /nfs/dbraw/zinc/35/58/29/527355829.db2.gz ULZNGRYZWVUFSL-UHFFFAOYSA-N -1 0 493.975 5.516 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000008763315 527578760 /nfs/dbraw/zinc/57/87/60/527578760.db2.gz AOFJYOOACGLUCU-ZHZULCJRSA-N -1 0 476.019 5.765 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000008872266 527579040 /nfs/dbraw/zinc/57/90/40/527579040.db2.gz AGUOUOJPSSXTET-GZTJUZNOSA-N -1 0 470.399 6.100 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000000631974 553718591 /nfs/dbraw/zinc/71/85/91/553718591.db2.gz HUTRLQYCNYVJEP-UYRXBGFRSA-N -1 0 489.959 6.154 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000000653707 553734252 /nfs/dbraw/zinc/73/42/52/553734252.db2.gz OSEZWXSLBJGJLR-RGVLZGJSSA-N -1 0 453.926 5.558 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000653712 553734277 /nfs/dbraw/zinc/73/42/77/553734277.db2.gz NUWDDSBYNXPKFP-RGVLZGJSSA-N -1 0 470.381 5.232 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000000653723 553734295 /nfs/dbraw/zinc/73/42/95/553734295.db2.gz QPXOTEOJRWRJHV-UDWIEESQSA-N -1 0 453.926 5.558 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000000686326 553756513 /nfs/dbraw/zinc/75/65/13/553756513.db2.gz CPLCMKOOUAPOOJ-WUXMJOGZSA-N -1 0 495.185 5.069 50 10 JKCARM CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(O)c(C(=O)[O-])c2)C(=O)C1 ZINC000000751767 553777152 /nfs/dbraw/zinc/77/71/52/553777152.db2.gz XAWDSLHMGBTXRG-UHFFFAOYSA-N -1 0 454.320 5.466 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000843249 553793927 /nfs/dbraw/zinc/79/39/27/553793927.db2.gz PBDSHLQVCGUEPN-GDNBJRDFSA-N -1 0 461.688 5.573 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000000849721 553797716 /nfs/dbraw/zinc/79/77/16/553797716.db2.gz LSSNIFHABSVFRH-LFIBNONCSA-N -1 0 453.863 5.180 50 10 JKCARM CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)c2C)c1 ZINC000000977430 553889719 /nfs/dbraw/zinc/88/97/19/553889719.db2.gz FPSIBKJWMNXOND-HZHRSRAPSA-N -1 0 487.581 5.251 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000001154594 553918238 /nfs/dbraw/zinc/91/82/38/553918238.db2.gz OWCRELCKFQEPAH-WOJGMQOQSA-N -1 0 487.865 5.433 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000001180331 553928577 /nfs/dbraw/zinc/92/85/77/553928577.db2.gz AKHWPJYWHAXCOV-GXDHUFHOSA-N -1 0 471.853 5.319 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001185200 553930297 /nfs/dbraw/zinc/93/02/97/553930297.db2.gz CRMPHWFUQPLHCH-DEDYPNTBSA-N -1 0 477.860 5.334 50 10 JKCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c(C)c1 ZINC000001265586 553938551 /nfs/dbraw/zinc/93/85/51/553938551.db2.gz UQCLBGHHTZOITC-JLPGSUDCSA-N -1 0 497.526 5.983 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001273223 553939480 /nfs/dbraw/zinc/93/94/80/553939480.db2.gz NUWDDSBYNXPKFP-JAIQZWGSSA-N -1 0 470.381 5.644 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001274155 553939509 /nfs/dbraw/zinc/93/95/09/553939509.db2.gz RVRHVDJADWODFL-HAHDFKILSA-N -1 0 485.996 6.143 50 10 JKCARM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)[N-]C1=S ZINC000002076091 554024601 /nfs/dbraw/zinc/02/46/01/554024601.db2.gz MJSVTEAOELDYSX-NCELDCMTSA-N -1 0 491.616 5.846 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 ZINC000002119441 554054738 /nfs/dbraw/zinc/05/47/38/554054738.db2.gz RNFZLANFRICZMQ-HYARGMPZSA-N -1 0 487.378 5.587 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000002141913 554064093 /nfs/dbraw/zinc/06/40/93/554064093.db2.gz DIKLBWZYGAQLJD-JAIQZWGSSA-N -1 0 496.928 5.282 50 10 JKCARM COc1ccc(OC)c(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000002195611 554089011 /nfs/dbraw/zinc/08/90/11/554089011.db2.gz KUMZZQHEKMYZEP-BKUYFWCQSA-N -1 0 475.570 5.091 50 10 JKCARM Cc1ccc(OCCn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1C ZINC000002258756 554120744 /nfs/dbraw/zinc/12/07/44/554120744.db2.gz BWEGMDFFBDXWHT-XYGWBWBKSA-N -1 0 497.526 5.143 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002287826 554133759 /nfs/dbraw/zinc/13/37/59/554133759.db2.gz GMFGZEYLPFIQHC-GZTJUZNOSA-N -1 0 453.863 5.180 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000002298286 554138401 /nfs/dbraw/zinc/13/84/01/554138401.db2.gz GONPOPZQDVGEFS-YZSQISJMSA-N -1 0 485.653 5.885 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000002307091 554142128 /nfs/dbraw/zinc/14/21/28/554142128.db2.gz UGGDMPAAQZLVOE-PCLIKHOPSA-N -1 0 469.585 5.675 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000002333163 554152381 /nfs/dbraw/zinc/15/23/81/554152381.db2.gz FCRFHXPEPNKGJB-WSDLNYQXSA-N -1 0 472.501 5.434 50 10 JKCARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002366036 554167545 /nfs/dbraw/zinc/16/75/45/554167545.db2.gz YSKNQISURFEAKJ-HAVVHWLPSA-N -1 0 485.971 5.448 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3C(C)C)C2=O)cc1Cl ZINC000002590111 554238764 /nfs/dbraw/zinc/23/87/64/554238764.db2.gz LOIMVHIPQKLNGQ-PXLXIMEGSA-N -1 0 491.975 5.523 50 10 JKCARM O=C([O-])CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S ZINC000002687939 554283638 /nfs/dbraw/zinc/28/36/38/554283638.db2.gz WCAKWOAKFAYWAY-KQWNVCNZSA-N -1 0 499.617 5.759 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)c2)cc1 ZINC000002700634 554294046 /nfs/dbraw/zinc/29/40/46/554294046.db2.gz PLERMQVKSNXUAH-AMCKHAKVSA-N -1 0 475.591 5.601 50 10 JKCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002824239 554365761 /nfs/dbraw/zinc/36/57/61/554365761.db2.gz QJRGGNRLJLSARJ-LICLKQGHSA-N -1 0 488.308 5.833 50 10 JKCARM O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1cccc2ccccc21 ZINC000002841314 554373062 /nfs/dbraw/zinc/37/30/62/554373062.db2.gz JAJATDYHWUEIKO-UHFFFAOYSA-N -1 0 491.568 7.025 50 10 JKCARM O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2cccnc21 ZINC000002856796 554383469 /nfs/dbraw/zinc/38/34/69/554383469.db2.gz SCJRVKWKLBUINX-UHFFFAOYSA-N -1 0 465.581 5.502 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)cc(Cl)c3OC)C(=O)[N-]C2=S)cc1 ZINC000002878851 554400643 /nfs/dbraw/zinc/40/06/43/554400643.db2.gz IZCJRFBNPGNUBN-OQLLNIDSSA-N -1 0 451.331 5.072 50 10 JKCARM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccccc3Cl)c2)C1=O ZINC000006767217 554557724 /nfs/dbraw/zinc/55/77/24/554557724.db2.gz SDXFWKYICPKPJC-UYRXBGFRSA-N -1 0 481.335 5.547 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccccc4Cl)c3)C2=O)cc1C ZINC000006858439 554558976 /nfs/dbraw/zinc/55/89/76/554558976.db2.gz PZXPETKVAOPGKC-HMAPJEAMSA-N -1 0 460.917 5.202 50 10 JKCARM Cc1cccc(N=Nc2c([O-])n(-c3ccccc3)c(=S)n(-c3ccc4ccccc4c3)c2=O)c1 ZINC000008437601 554588382 /nfs/dbraw/zinc/58/83/82/554588382.db2.gz OWMOWNDDRGMWDI-RVGLIBJPSA-N -1 0 464.550 5.965 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1Cl ZINC000008741104 554643533 /nfs/dbraw/zinc/64/35/33/554643533.db2.gz UQWOGXKEDLOXPP-XKZIYDEJSA-N -1 0 499.954 6.167 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008743255 554645938 /nfs/dbraw/zinc/64/59/38/554645938.db2.gz GMFGZEYLPFIQHC-BOPFTXTBSA-N -1 0 453.863 5.180 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008743066 554646047 /nfs/dbraw/zinc/64/60/47/554646047.db2.gz OMARYOCHCGVSOQ-WSDLNYQXSA-N -1 0 458.474 5.126 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCCOc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000008744272 554647440 /nfs/dbraw/zinc/64/74/40/554647440.db2.gz ZYERTSFOSOXGJB-LGUFXXKBSA-N -1 0 493.563 6.180 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008766763 554667304 /nfs/dbraw/zinc/66/73/04/554667304.db2.gz ITQIAKZNBUMMCO-YVLHZVERSA-N -1 0 461.688 6.414 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000008768793 554669348 /nfs/dbraw/zinc/66/93/48/554669348.db2.gz YDAYPSCWJWRGGU-CJLVFECKSA-N -1 0 463.921 5.290 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008818967 554703350 /nfs/dbraw/zinc/70/33/50/554703350.db2.gz NRFRZXDBYPEBTQ-DWKHYPNZSA-N -1 0 453.994 5.008 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000008819003 554703473 /nfs/dbraw/zinc/70/34/73/554703473.db2.gz QREKVLJPSMJDQX-KNGSKEOJSA-N -1 0 487.546 5.373 50 10 JKCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000008823932 554710766 /nfs/dbraw/zinc/71/07/66/554710766.db2.gz IKJDNVCADYHHGG-LZNAANCOSA-N -1 0 460.533 5.008 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc([C@H](C)CC)cc3)C2=O)cc1 ZINC000008830154 554720098 /nfs/dbraw/zinc/72/00/98/554720098.db2.gz ATOKWDIIQZKAIK-CTDSJEBPSA-N -1 0 485.584 5.309 50 10 JKCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C(F)(F)F)o1 ZINC000008843029 554740341 /nfs/dbraw/zinc/74/03/41/554740341.db2.gz JJESQDCQXWLGQZ-WQRHYEAKSA-N -1 0 485.374 5.210 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008856340 554752295 /nfs/dbraw/zinc/75/22/95/554752295.db2.gz HGARYGCUFCAUHR-MHWRWJLKSA-N -1 0 472.240 5.032 50 10 JKCARM C[C@@H](Sc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O)C(=O)[O-] ZINC000008870801 554765573 /nfs/dbraw/zinc/76/55/73/554765573.db2.gz ZITWNKUNXRCDPW-CQSZACIVSA-N -1 0 453.541 5.065 50 10 JKCARM CC[C@@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000008952225 554835757 /nfs/dbraw/zinc/83/57/57/554835757.db2.gz TYEMATUKFKXUNU-GBDYGOOCSA-N -1 0 456.542 5.119 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008984462 554848374 /nfs/dbraw/zinc/84/83/74/554848374.db2.gz DKPMIGNTFGOUQZ-YBFXNURJSA-N -1 0 469.324 5.042 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000008997428 554858890 /nfs/dbraw/zinc/85/88/90/554858890.db2.gz BXURNAONIBVMOF-ZFOBRQHDSA-N -1 0 477.564 6.710 50 10 JKCARM Cc1cc(C)cc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000008997365 554858910 /nfs/dbraw/zinc/85/89/10/554858910.db2.gz KUQYGUMGJJHLKA-PCLIKHOPSA-N -1 0 497.551 5.823 50 10 JKCARM Cc1cccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1C ZINC000008997383 554858929 /nfs/dbraw/zinc/85/89/29/554858929.db2.gz IEOPFQKVGUHEFN-LFVJCYFKSA-N -1 0 497.551 5.823 50 10 JKCARM COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)[N-]C1=S ZINC000009009633 554863009 /nfs/dbraw/zinc/86/30/09/554863009.db2.gz BRIKUOQNOPGUIR-UYRXBGFRSA-N -1 0 465.962 5.428 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009012027 554864571 /nfs/dbraw/zinc/86/45/71/554864571.db2.gz BWZKVERBVPCEAO-XQNSMLJCSA-N -1 0 488.012 5.964 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000009015830 554865935 /nfs/dbraw/zinc/86/59/35/554865935.db2.gz AVXRTGOAHPJHTN-HYARGMPZSA-N -1 0 489.915 5.469 50 10 JKCARM Cc1cccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1 ZINC000009057139 554876340 /nfs/dbraw/zinc/87/63/40/554876340.db2.gz SPQPMTSMRWVQGR-HYARGMPZSA-N -1 0 491.341 5.003 50 10 JKCARM CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1)c1ccccc1 ZINC000009057237 554876486 /nfs/dbraw/zinc/87/64/86/554876486.db2.gz DXSGHFVUZGQKDJ-FJIOCMFRSA-N -1 0 459.358 5.512 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009075874 554886938 /nfs/dbraw/zinc/88/69/38/554886938.db2.gz IYECFIUQNVYWPQ-VOMLJKFNSA-N -1 0 496.394 6.023 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000009075832 554886952 /nfs/dbraw/zinc/88/69/52/554886952.db2.gz XLLCCCIABDHLJY-SNFPTOCBSA-N -1 0 491.975 5.400 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000009075930 554887174 /nfs/dbraw/zinc/88/71/74/554887174.db2.gz DTUPVBAWFVUHNL-XYGWBWBKSA-N -1 0 463.537 5.227 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000009076376 554887849 /nfs/dbraw/zinc/88/78/49/554887849.db2.gz OVYGPYPPALXMTK-XMSCMFJESA-N -1 0 461.949 5.370 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 ZINC000009076556 554887892 /nfs/dbraw/zinc/88/78/92/554887892.db2.gz SRCZHGKNTYNZNA-GIKSKMNSSA-N -1 0 455.558 5.582 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C ZINC000009144505 554936088 /nfs/dbraw/zinc/93/60/88/554936088.db2.gz XIPSTGKFMREXRW-FYJGNVAPSA-N -1 0 462.933 5.088 50 10 JKCARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000009144460 554936138 /nfs/dbraw/zinc/93/61/38/554936138.db2.gz WMBMBODDCGWCTJ-ONUIUJJFSA-N -1 0 475.548 5.736 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cccc(C)c3)C2=O)cc1 ZINC000009166281 554951336 /nfs/dbraw/zinc/95/13/36/554951336.db2.gz JFKWYPGZMMWJGP-HBTCSRNFSA-N -1 0 471.557 5.055 50 10 JKCARM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000009210026 554979345 /nfs/dbraw/zinc/97/93/45/554979345.db2.gz CYBXPLRSWSBRQX-OQZKWKKUSA-N -1 0 476.558 5.624 50 10 JKCARM O=C([N-]N1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)c1cccs1 ZINC000009232361 555004646 /nfs/dbraw/zinc/00/46/46/555004646.db2.gz DKDDNXMUFRWNAS-XNTDXEJSSA-N -1 0 479.029 5.692 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)ccc1Cl ZINC000009233956 555007178 /nfs/dbraw/zinc/00/71/78/555007178.db2.gz HUBVXZLFKXWYPU-DJKKODMXSA-N -1 0 492.311 6.327 50 10 JKCARM Cc1c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000009234590 555008221 /nfs/dbraw/zinc/00/82/21/555008221.db2.gz ZSSUTLAHHILVND-OCKHKDLRSA-N -1 0 491.421 5.591 50 10 JKCARM N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN21 ZINC000009281867 555051240 /nfs/dbraw/zinc/05/12/40/555051240.db2.gz MIWUBIBQPPNIOS-JZSRTLTASA-N -1 0 490.928 5.160 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc(N2CCCCCC2)cc1 ZINC000009282666 555052379 /nfs/dbraw/zinc/05/23/79/555052379.db2.gz ZARCOIPCOWCSKL-NKFKGCMQSA-N -1 0 455.583 5.052 50 10 JKCARM O=C1/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1 ZINC000009296515 555073345 /nfs/dbraw/zinc/07/33/45/555073345.db2.gz JWOBZWVBGWAWBC-AWNIVKPZSA-N -1 0 471.741 5.122 50 10 JKCARM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000009309200 555083612 /nfs/dbraw/zinc/08/36/12/555083612.db2.gz WORRRIKGMOTAEW-HZHRSRAPSA-N -1 0 465.578 5.138 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000009310356 555086101 /nfs/dbraw/zinc/08/61/01/555086101.db2.gz JNAXHXFZOOASBY-OEAKJJBVSA-N -1 0 485.927 5.018 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000009324361 555097078 /nfs/dbraw/zinc/09/70/78/555097078.db2.gz AMHHUFCRKRUYSR-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM CCN1c2ccccc2/C(=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)C1=O ZINC000009331282 555101061 /nfs/dbraw/zinc/10/10/61/555101061.db2.gz NEEDXZWFYVGURN-MRCUWXFGSA-N -1 0 474.648 5.220 50 10 JKCARM COc1ccccc1N1C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)[N-]C1=S ZINC000009357705 555122516 /nfs/dbraw/zinc/12/25/16/555122516.db2.gz YTUSEXNLJYUZQI-CYVLTUHYSA-N -1 0 453.523 5.086 50 10 JKCARM CC(=O)Nc1cccc(NC=C2SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1 ZINC000009423523 555188100 /nfs/dbraw/zinc/18/81/00/555188100.db2.gz RSIOYMLSASLWOI-CAPFRKAQSA-N -1 0 477.652 5.354 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000009427978 555193524 /nfs/dbraw/zinc/19/35/24/555193524.db2.gz FZVPGTMFNSBRMC-RIRGPFDCSA-N -1 0 491.591 6.178 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000009428570 555194117 /nfs/dbraw/zinc/19/41/17/555194117.db2.gz KLUIWCVQBKHOPV-ITYLOYPMSA-N -1 0 493.563 5.258 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009436087 555207830 /nfs/dbraw/zinc/20/78/30/555207830.db2.gz SMLCNCJWMHFSCV-SZXQPVLSSA-N -1 0 482.580 5.654 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000009439082 555208905 /nfs/dbraw/zinc/20/89/05/555208905.db2.gz HZWKYWNFCLRVPE-ZVSYKFGMSA-N -1 0 490.987 5.773 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1 ZINC000009471607 555254740 /nfs/dbraw/zinc/25/47/40/555254740.db2.gz UFQGVXSEFRMOMU-UQQQWYQISA-N -1 0 463.537 5.476 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000009477509 555258432 /nfs/dbraw/zinc/25/84/32/555258432.db2.gz FZVPGTMFNSBRMC-FIOJILPZSA-N -1 0 491.591 6.178 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1Cl ZINC000009477835 555259262 /nfs/dbraw/zinc/25/92/62/555259262.db2.gz NFRQIXLYTKQCLJ-XKZIYDEJSA-N -1 0 499.954 5.326 50 10 JKCARM Cc1cccc(OCCOc2c(Cl)cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000009659803 555363339 /nfs/dbraw/zinc/36/33/39/555363339.db2.gz KVTJKYYOGNFRJU-DEDYPNTBSA-N -1 0 483.351 5.221 50 10 JKCARM COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013361795 555387376 /nfs/dbraw/zinc/38/73/76/555387376.db2.gz HLWMVSWXILODEG-CLCZQPDDSA-N -1 0 488.609 5.717 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3[O-])SC2=S)c(C)c1 ZINC000013546261 555490026 /nfs/dbraw/zinc/49/00/26/555490026.db2.gz RUHRGJMWINLPBH-VIZOYTHASA-N -1 0 465.350 5.086 50 10 JKCARM CCOc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)ccc1O ZINC000013576686 555515891 /nfs/dbraw/zinc/51/58/91/555515891.db2.gz XBGGLOIRWULQOT-SILNSSARSA-N -1 0 465.637 5.588 50 10 JKCARM CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1 ZINC000019899176 555534761 /nfs/dbraw/zinc/53/47/61/555534761.db2.gz QGKYJYQOQFLUHR-UHFFFAOYSA-N -1 0 470.367 5.375 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000009851161 555554133 /nfs/dbraw/zinc/55/41/33/555554133.db2.gz SOQYRVVVPLRZAH-KEBDBYFISA-N -1 0 495.373 5.176 50 10 JKCARM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)c1 ZINC000013685675 555579123 /nfs/dbraw/zinc/57/91/23/555579123.db2.gz GKTCRXUSDIZKKW-QRVIBDJDSA-N -1 0 483.955 6.467 50 10 JKCARM COc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000013685934 555579198 /nfs/dbraw/zinc/57/91/98/555579198.db2.gz TVSJHQYDMBNZOK-JLPGSUDCSA-N -1 0 499.498 5.375 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000013689429 555582919 /nfs/dbraw/zinc/58/29/19/555582919.db2.gz ORHKKGCWIBBNSZ-IEOAWGNMSA-N -1 0 496.394 6.023 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000013689523 555583142 /nfs/dbraw/zinc/58/31/42/555583142.db2.gz AODAHHZPIIFZNT-QAIWHXNASA-N -1 0 496.394 6.023 50 10 JKCARM CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000010059395 555609997 /nfs/dbraw/zinc/60/99/97/555609997.db2.gz GXDKHBRWZOGIQI-HUTHGQBESA-N -1 0 469.832 6.450 50 10 JKCARM CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000010059392 555610006 /nfs/dbraw/zinc/61/00/06/555610006.db2.gz GXDKHBRWZOGIQI-XLFHBGCDSA-N -1 0 469.832 6.450 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013805209 555623033 /nfs/dbraw/zinc/62/30/33/555623033.db2.gz NGSZVKITUOELLM-SVFBPWRDSA-N -1 0 489.742 5.404 50 10 JKCARM CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)c2C)c1 ZINC000013809856 555624517 /nfs/dbraw/zinc/62/45/17/555624517.db2.gz FPSIBKJWMNXOND-HAHDFKILSA-N -1 0 487.581 5.251 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013810013 555624775 /nfs/dbraw/zinc/62/47/75/555624775.db2.gz VDIUBQKNWNBVBW-BOPFTXTBSA-N -1 0 498.314 5.289 50 10 JKCARM Cc1[nH]c2ccccc2c1[C@H](c1cc(Br)cc(Br)c1[O-])N1CCOCC1 ZINC000020069237 555626354 /nfs/dbraw/zinc/62/63/54/555626354.db2.gz MHYGAXGUKZCGEG-IBGZPJMESA-N -1 0 480.200 5.129 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)cc1 ZINC000013897174 555644475 /nfs/dbraw/zinc/64/44/75/555644475.db2.gz PPGHCLRPCMQPNT-OSWZSTQVSA-N -1 0 498.579 5.633 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000013940020 555649868 /nfs/dbraw/zinc/64/98/68/555649868.db2.gz WHBLEHVMJGQRTL-FYJGNVAPSA-N -1 0 476.916 5.743 50 10 JKCARM Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000013940353 555650880 /nfs/dbraw/zinc/65/08/80/555650880.db2.gz GCEXMESDHIVKPT-KQWNVCNZSA-N -1 0 490.943 5.081 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000014010836 555670271 /nfs/dbraw/zinc/67/02/71/555670271.db2.gz KIIAAIYAWIWAJP-GXDHUFHOSA-N -1 0 486.267 5.977 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020210201 555702698 /nfs/dbraw/zinc/70/26/98/555702698.db2.gz RUTOYAQXEVAJGL-YBEGLDIGSA-N -1 0 471.256 5.199 50 10 JKCARM Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000014166007 555718677 /nfs/dbraw/zinc/71/86/77/555718677.db2.gz DEJADAAAWGTQCI-UFPGJGBJSA-N -1 0 474.582 5.629 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000020324490 555772313 /nfs/dbraw/zinc/77/23/13/555772313.db2.gz SCBIQUCAWLLFDS-UNOMPAQXSA-N -1 0 452.919 6.040 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1 ZINC000020324596 555772627 /nfs/dbraw/zinc/77/26/27/555772627.db2.gz NCWJGHXUVFXRDJ-PDGQHHTCSA-N -1 0 453.566 5.676 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000011565509 555787856 /nfs/dbraw/zinc/78/78/56/555787856.db2.gz DUXYOSBLTBOEQB-AQTBWJFISA-N -1 0 474.475 6.790 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=S ZINC000011667031 555797578 /nfs/dbraw/zinc/79/75/78/555797578.db2.gz GMTROOZXLLQQPX-AQTBWJFISA-N -1 0 474.475 7.426 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000020573133 555824951 /nfs/dbraw/zinc/82/49/51/555824951.db2.gz PMEJTYIMDWFGBO-NJAFHUGGSA-N -1 0 461.624 5.462 50 10 JKCARM CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000015015441 555855752 /nfs/dbraw/zinc/85/57/52/555855752.db2.gz NPGQOFQGSKDQLW-IUXPMGMMSA-N -1 0 486.163 5.877 50 10 JKCARM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000022364452 555926384 /nfs/dbraw/zinc/92/63/84/555926384.db2.gz PBVJYDNPVDFSBW-WUXMJOGZSA-N -1 0 488.154 5.755 50 10 JKCARM Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000012345759 555956494 /nfs/dbraw/zinc/95/64/94/555956494.db2.gz RTSBMFBVOKVDQR-STZFKDTASA-N -1 0 483.351 5.221 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 ZINC000012375062 555962132 /nfs/dbraw/zinc/96/21/32/555962132.db2.gz AGLJHKDQSANDEZ-WWMYMODYSA-N -1 0 498.423 5.755 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000015799362 556007780 /nfs/dbraw/zinc/00/77/80/556007780.db2.gz SXDHAGBNOBDRPD-RGVLZGJSSA-N -1 0 499.910 5.578 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(OC)c1 ZINC000015799438 556007819 /nfs/dbraw/zinc/00/78/19/556007819.db2.gz GCBMGXDMLULCTQ-LPYMAVHISA-N -1 0 492.915 5.443 50 10 JKCARM CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000023382852 556050465 /nfs/dbraw/zinc/05/04/65/556050465.db2.gz ZAOMHENTILYTRS-ZVHZXABRSA-N -1 0 470.529 5.176 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000023411413 556052195 /nfs/dbraw/zinc/05/21/95/556052195.db2.gz LYNNIYXJKLPMDJ-DEDYPNTBSA-N -1 0 486.435 6.044 50 10 JKCARM O=C1N[C@H](c2cc(Br)cc(Br)c2[O-])Nc2scc(-c3ccccc3)c21 ZINC000015947868 556086506 /nfs/dbraw/zinc/08/65/06/556086506.db2.gz OEAUWZQQDFOQEX-INIZCTEOSA-N -1 0 480.181 6.075 50 10 JKCARM O=C(c1ccccc1F)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016044812 556125474 /nfs/dbraw/zinc/12/54/74/556125474.db2.gz JYMJUVCKRSRVPT-UHFFFAOYSA-N -1 0 469.277 5.073 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1Cl ZINC000017058399 556214352 /nfs/dbraw/zinc/21/43/52/556214352.db2.gz DZDKVMPYFSXVPX-XSFVSMFZSA-N -1 0 479.920 5.044 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1 ZINC000017058851 556214766 /nfs/dbraw/zinc/21/47/66/556214766.db2.gz ILWTXUSDLMJJND-VJWQYWRGSA-N -1 0 491.975 5.605 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025559607 556220852 /nfs/dbraw/zinc/22/08/52/556220852.db2.gz IEDFKTDQDQWIOB-OXQOHEQNSA-N -1 0 496.213 6.765 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025559522 556220934 /nfs/dbraw/zinc/22/09/34/556220934.db2.gz OZLCZIAAFKXVTM-UZLBHIALSA-N -1 0 451.762 6.656 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025559514 556220958 /nfs/dbraw/zinc/22/09/58/556220958.db2.gz OZLCZIAAFKXVTM-JXFKEZNVSA-N -1 0 451.762 6.656 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)[N-]C2=S)c(C)c1 ZINC000013067947 556264487 /nfs/dbraw/zinc/26/44/87/556264487.db2.gz XXHRBJFOKNXNLE-XDHOZWIPSA-N -1 0 474.498 5.071 50 10 JKCARM O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1sc2cccc(Cl)c2c1Cl ZINC000026965263 556267263 /nfs/dbraw/zinc/26/72/63/556267263.db2.gz YCFGHWUBUKRFJS-UHFFFAOYSA-N -1 0 461.282 5.017 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000013073953 556274257 /nfs/dbraw/zinc/27/42/57/556274257.db2.gz JEXVXDYPWUIJJY-GULXKOIASA-N -1 0 488.439 5.661 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000013075874 556277833 /nfs/dbraw/zinc/27/78/33/556277833.db2.gz NBAZWXKUDBOEKY-UOIFGXKSSA-N -1 0 494.550 5.060 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)c1 ZINC000027527822 556289593 /nfs/dbraw/zinc/28/95/93/556289593.db2.gz CJNPWBLWMNWPDP-XHPQRKPJSA-N -1 0 498.579 6.257 50 10 JKCARM CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2)c1 ZINC000027527821 556289658 /nfs/dbraw/zinc/28/96/58/556289658.db2.gz CMSOAKMWAYQXNX-ITYLOYPMSA-N -1 0 484.552 5.830 50 10 JKCARM CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)S2)cc1 ZINC000018193708 556301602 /nfs/dbraw/zinc/30/16/02/556301602.db2.gz LHXHTIFCTTZTEH-DHDCSXOGSA-N -1 0 498.196 5.398 50 10 JKCARM CC(=Nc1cc(Cl)ccc1O)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000018246834 556315629 /nfs/dbraw/zinc/31/56/29/556315629.db2.gz LGAPWJJRDJCOSU-OQLLNIDSSA-N -1 0 452.845 5.306 50 10 JKCARM CC(C)(C)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCOCC4)c3oc2C(F)(F)F)cc1 ZINC000019789749 556370035 /nfs/dbraw/zinc/37/00/35/556370035.db2.gz UAIHATSSVNLVOB-UHFFFAOYSA-N -1 0 477.479 5.439 50 10 biogenic JKCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)cc(C)c4)c(C(F)(F)F)oc32)CC1 ZINC000019791760 556371110 /nfs/dbraw/zinc/37/11/10/556371110.db2.gz HZGGVGQQBZKOLA-UHFFFAOYSA-N -1 0 476.495 5.064 50 10 biogenic JKCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4cccc5ccccc54)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000019791784 556371140 /nfs/dbraw/zinc/37/11/40/556371140.db2.gz HESWFMURDPMTQJ-HOTGVXAUSA-N -1 0 483.486 5.947 50 10 biogenic JKCARM O=c1c(-c2ccc(Cl)cc2)coc2c1ccc([O-])c2CN1CCN(Cc2ccccc2)CC1 ZINC000019793070 556372403 /nfs/dbraw/zinc/37/24/03/556372403.db2.gz SIMYSFRVSLNZHC-UHFFFAOYSA-N -1 0 460.961 5.137 50 10 biogenic JKCARM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(Cc4ccccc4)CC3)c2=O)c1 ZINC000019794052 556373551 /nfs/dbraw/zinc/37/35/51/556373551.db2.gz WRACOUADZLUMFH-UHFFFAOYSA-N -1 0 484.596 5.534 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCc1ccccc1Cl ZINC000032694344 556471750 /nfs/dbraw/zinc/47/17/50/556471750.db2.gz XYTJJAMSVMNLEK-DEDYPNTBSA-N -1 0 492.018 5.384 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000032694348 556471757 /nfs/dbraw/zinc/47/17/57/556471757.db2.gz WNRSFIZDELJMQI-XSFVSMFZSA-N -1 0 476.019 5.765 50 10 JKCARM CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=S ZINC000008461771 569591706 /nfs/dbraw/zinc/59/17/06/569591706.db2.gz URSPHIJEMUNISG-XMHGGMMESA-N -1 0 494.956 5.252 50 10 JKCARM Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000008721671 569598632 /nfs/dbraw/zinc/59/86/32/569598632.db2.gz GPOCRIDWAYMSMX-XDHOZWIPSA-N -1 0 464.978 5.182 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000033774003 569634269 /nfs/dbraw/zinc/63/42/69/569634269.db2.gz SFDJBWINWOZHKA-LFVJCYFKSA-N -1 0 482.536 6.230 50 10 JKCARM Cc1ccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000034380237 569640137 /nfs/dbraw/zinc/64/01/37/569640137.db2.gz SCYNBPGKZVCOMX-KOEQRZSOSA-N -1 0 497.526 5.429 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000085875304 569715696 /nfs/dbraw/zinc/71/56/96/569715696.db2.gz NOAXWIRDPVDHMJ-UHFFFAOYSA-N -1 0 459.502 5.606 50 10 biogenic JKCARM O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000085876442 569715878 /nfs/dbraw/zinc/71/58/78/569715878.db2.gz QTXMSEIRKBBPDL-UHFFFAOYSA-N -1 0 475.501 5.399 50 10 biogenic JKCARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000089639057 569719289 /nfs/dbraw/zinc/71/92/89/569719289.db2.gz RRUYHUAYZDJHHH-UHFFFAOYSA-N -1 0 484.581 5.065 50 10 JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cc2c(c(Cl)c1)OCO2 ZINC000095477206 569724318 /nfs/dbraw/zinc/72/43/18/569724318.db2.gz CAHMXNRBHLDBGP-UHFFFAOYSA-N -1 0 453.838 5.078 50 10 JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(OCCc2ccccc2)cc1 ZINC000095477676 569724353 /nfs/dbraw/zinc/72/43/53/569724353.db2.gz FOBVTVJKVLRXTN-UHFFFAOYSA-N -1 0 495.535 6.317 50 10 JKCARM COc1ccccc1-c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000095476325 569724356 /nfs/dbraw/zinc/72/43/56/569724356.db2.gz APVNLGIRVXGZGD-UHFFFAOYSA-N -1 0 473.529 6.409 50 10 JKCARM O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@@H](c2ccccc2Br)CC(=O)O1 ZINC000096115848 569734922 /nfs/dbraw/zinc/73/49/22/569734922.db2.gz IPCNHNKEHXRZQS-CQSZACIVSA-N -1 0 479.282 5.075 50 10 biogenic JKCARM COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222884 569739804 /nfs/dbraw/zinc/73/98/04/569739804.db2.gz WPOLLYDSBJBVKJ-LJQANCHMSA-N -1 0 490.508 5.059 50 10 biogenic JKCARM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)cc1O ZINC000096602461 569742597 /nfs/dbraw/zinc/74/25/97/569742597.db2.gz JHZNGTWOPUNRAO-YVNNLAQVSA-N -1 0 458.514 5.072 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000100147504 569753885 /nfs/dbraw/zinc/75/38/85/569753885.db2.gz XJSXZPGKPAMVRK-BOPFTXTBSA-N -1 0 485.721 5.867 50 10 JKCARM CCC(=Nc1cc(Cl)ccc1O)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100157755 569754168 /nfs/dbraw/zinc/75/41/68/569754168.db2.gz BSPSRGLHYHDKJO-WJDWOHSUSA-N -1 0 466.872 5.696 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1 ZINC000100505529 569763064 /nfs/dbraw/zinc/76/30/64/569763064.db2.gz GJXYPAQFQVILJQ-AWZKZOKMSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1O ZINC000100505234 569763076 /nfs/dbraw/zinc/76/30/76/569763076.db2.gz IOFBMOSHDSLDCY-DUPNKOKHSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100505628 569763089 /nfs/dbraw/zinc/76/30/89/569763089.db2.gz BNUWUJJQRURBKS-FTGFMQHASA-N -1 0 499.350 5.664 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100510892 569763207 /nfs/dbraw/zinc/76/32/07/569763207.db2.gz BEFPVSCEBHQPJG-FTGFMQHASA-N -1 0 454.353 5.756 50 10 JKCARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000100525155 569763653 /nfs/dbraw/zinc/76/36/53/569763653.db2.gz BZZAOKJCSFWLTI-ZFZZVZNFSA-N -1 0 484.379 5.846 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000100525092 569763611 /nfs/dbraw/zinc/76/36/11/569763611.db2.gz QBSFJGZXEIFEEG-FTGFMQHASA-N -1 0 454.353 5.756 50 10 JKCARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000100525175 569763711 /nfs/dbraw/zinc/76/37/11/569763711.db2.gz KKKBUWYNHKPHSO-IUBFCHALSA-N -1 0 470.352 5.456 50 10 JKCARM COc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000100525193 569763743 /nfs/dbraw/zinc/76/37/43/569763743.db2.gz YNSXSLOOOBADLJ-FTGFMQHASA-N -1 0 470.352 5.456 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(Br)ccc1O ZINC000038167780 569799719 /nfs/dbraw/zinc/79/97/19/569799719.db2.gz ZKKIAWLNFSLQAM-WDZFZDKYSA-N -1 0 472.147 5.133 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(c1ccccc1)c1ccccc1)N2 ZINC000103020706 569831886 /nfs/dbraw/zinc/83/18/86/569831886.db2.gz DRIKHERJCMUCBX-MVOZIGHISA-N -1 0 452.554 5.177 50 10 JKCARM Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000103646668 569836952 /nfs/dbraw/zinc/83/69/52/569836952.db2.gz PYOPHHUIBPRCPM-PDGQHHTCSA-N -1 0 480.380 6.384 50 10 JKCARM CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)sc2c1CCCC2 ZINC000103884150 569838699 /nfs/dbraw/zinc/83/86/99/569838699.db2.gz QGTPVLMQOGOLEF-ATVHPVEESA-N -1 0 488.407 5.285 50 10 JKCARM COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000044827100 569839327 /nfs/dbraw/zinc/83/93/27/569839327.db2.gz CWZFEFLZPCZPFR-XMHGGMMESA-N -1 0 488.569 5.122 50 10 JKCARM Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2C)c1=O ZINC000108386430 569859484 /nfs/dbraw/zinc/85/94/84/569859484.db2.gz JMGDGYWJORGQQQ-XKZIYDEJSA-N -1 0 492.421 5.895 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000137950939 569865586 /nfs/dbraw/zinc/86/55/86/569865586.db2.gz DWROTSDKPAMJAG-QKNQBKEWSA-N -1 0 489.742 5.404 50 10 JKCARM COc1ccc(CCOc2ccc(-c3c4c[nH]nc4nc4c5ccc(O)c([O-])c5oc43)cc2)cc1 ZINC000217608666 569880584 /nfs/dbraw/zinc/88/05/84/569880584.db2.gz NFIAAIIBOVITPK-UHFFFAOYSA-N -1 0 467.481 5.566 50 10 biogenic JKCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1OCc1ccc(C(C)C)cc1 ZINC000217658088 569880911 /nfs/dbraw/zinc/88/09/11/569880911.db2.gz UCDWFWHTCANRSS-UHFFFAOYSA-N -1 0 495.535 6.647 50 10 biogenic JKCARM COc1ccc(CCOc2ccc(-c3c4c[nH]nc4nc4c5ccc(O)c([O-])c5oc43)cc2OC)cc1 ZINC000217886421 569881968 /nfs/dbraw/zinc/88/19/68/569881968.db2.gz LTDWHHAOTHPDBE-UHFFFAOYSA-N -1 0 497.507 5.574 50 10 biogenic JKCARM CCCCC[C@@H]1CCN2c3c(cc(C(=O)[O-])cc31)[C@@H]1C=CC[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000248198380 570076115 /nfs/dbraw/zinc/07/61/15/570076115.db2.gz SATVLVYEJAZVPV-XEWJDLBKSA-N -1 0 480.446 7.436 50 10 biogenic JKCARM CCCCC[C@@H]1CCN2c3c(cc(C(=O)[O-])cc31)[C@@H]1C=CC[C@@H]1[C@H]2c1ccc(Br)cc1 ZINC000248198379 570076189 /nfs/dbraw/zinc/07/61/89/570076189.db2.gz SATVLVYEJAZVPV-SQTZCGGWSA-N -1 0 480.446 7.436 50 10 biogenic JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(O)c1 ZINC000252605374 570085507 /nfs/dbraw/zinc/08/55/07/570085507.db2.gz GJXYPAQFQVILJQ-QGZVFWFLSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1cccc(N=Nc2c([O-])n(-c3ccccc3)c(=S)n(-c3ccc4ccccc4c3)c2=O)c1 ZINC000252623660 570087802 /nfs/dbraw/zinc/08/78/02/570087802.db2.gz OWMOWNDDRGMWDI-DEOSSOPVSA-N -1 0 464.550 5.965 50 10 JKCARM Cc1cccc(N=Nc2c([O-])n(-c3ccccc3)c(=S)n(-c3ccc4ccccc4c3)c2=O)c1 ZINC000252623661 570087841 /nfs/dbraw/zinc/08/78/41/570087841.db2.gz OWMOWNDDRGMWDI-XMMPIXPASA-N -1 0 464.550 5.965 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1Br ZINC000252629869 570089187 /nfs/dbraw/zinc/08/91/87/570089187.db2.gz UPDUOTYLLMICST-KRWDZBQOSA-N -1 0 485.323 5.356 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000252636336 570089964 /nfs/dbraw/zinc/08/99/64/570089964.db2.gz XHLFTNIUKDLCCN-SFHVURJKSA-N -1 0 454.353 5.756 50 10 JKCARM CCCCN(CCCCS(=O)(=O)[O-])c1ccc(N=Nc2cc(Cl)ccc2Cl)cc1 ZINC000257347863 570152277 /nfs/dbraw/zinc/15/22/77/570152277.db2.gz XEVGFGTUNZOIJT-UHFFFAOYSA-N -1 0 458.411 6.683 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1 ZINC000001013172 194003104 /nfs/dbraw/zinc/00/31/04/194003104.db2.gz ZOPVVNIAMATOKS-ODCIPOBUSA-N -1 0 497.912 5.572 50 10 JKCARM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000001114052 194028695 /nfs/dbraw/zinc/02/86/95/194028695.db2.gz XYIFEOCZMQTTDT-DEDYPNTBSA-N -1 0 489.915 5.173 50 10 JKCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 ZINC000001255845 194080384 /nfs/dbraw/zinc/08/03/84/194080384.db2.gz KIEVOYMDVHGVDR-HAHDFKILSA-N -1 0 483.524 5.432 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000001254849 194080431 /nfs/dbraw/zinc/08/04/31/194080431.db2.gz JYXUXLVTWMVBFQ-HZHRSRAPSA-N -1 0 467.550 5.370 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000001214782 194072390 /nfs/dbraw/zinc/07/23/90/194072390.db2.gz TURFRORNPRCYNB-GZTJUZNOSA-N -1 0 451.822 5.323 50 10 JKCARM COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1OCc1c(Cl)cccc1Cl ZINC000001281939 194081368 /nfs/dbraw/zinc/08/13/68/194081368.db2.gz IUZXWCRJBBTMOG-HCGGYXKBSA-N -1 0 498.409 5.255 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001315011 194083838 /nfs/dbraw/zinc/08/38/38/194083838.db2.gz LITRDJKHXBVCPP-PDGQHHTCSA-N -1 0 453.926 5.129 50 10 JKCARM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000001407189 194116055 /nfs/dbraw/zinc/11/60/55/194116055.db2.gz KWXGHALMHIZWDT-XIEYBQDHSA-N -1 0 493.588 5.293 50 10 JKCARM CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)[N-]C(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1 ZINC000001407210 194116154 /nfs/dbraw/zinc/11/61/54/194116154.db2.gz DQLLSIPMAIOTED-HAHDFKILSA-N -1 0 474.582 5.085 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S ZINC000001416009 194117244 /nfs/dbraw/zinc/11/72/44/194117244.db2.gz JUKSUNYIADUDOH-CNHKJKLMSA-N -1 0 477.394 5.282 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1 ZINC000001777287 194138303 /nfs/dbraw/zinc/13/83/03/194138303.db2.gz CZUGDVKMYZSSTB-UCQKPKSFSA-N -1 0 470.575 5.794 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001805123 194143659 /nfs/dbraw/zinc/14/36/59/194143659.db2.gz YISTWVWBROCIRX-ATVHPVEESA-N -1 0 480.405 5.555 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001819094 194145921 /nfs/dbraw/zinc/14/59/21/194145921.db2.gz OSJNSCPOIRLYLY-YBFXNURJSA-N -1 0 484.408 6.381 50 10 JKCARM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000001871048 194151205 /nfs/dbraw/zinc/15/12/05/194151205.db2.gz XKTWTQXVIPFSOV-QRVIBDJDSA-N -1 0 491.590 5.687 50 10 JKCARM CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000002520514 194162215 /nfs/dbraw/zinc/16/22/15/194162215.db2.gz WEDKCGYWMOXIAX-STZFKDTASA-N -1 0 493.610 5.004 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000002970567 194187877 /nfs/dbraw/zinc/18/78/77/194187877.db2.gz PLYKKHGPDFAEAP-MHWRWJLKSA-N -1 0 455.785 5.154 50 10 JKCARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1 ZINC000002986527 194195499 /nfs/dbraw/zinc/19/54/99/194195499.db2.gz DLWSIFLXYJNUNL-KQWNVCNZSA-N -1 0 475.591 5.408 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 ZINC000002989419 194196250 /nfs/dbraw/zinc/19/62/50/194196250.db2.gz QFQDRXVGWSGJID-KGENOOAVSA-N -1 0 471.900 5.067 50 10 JKCARM Cc1c(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n2ccccc2c1C1=CCCCC1 ZINC000003242217 194248731 /nfs/dbraw/zinc/24/87/31/194248731.db2.gz RMGVEXILIQAQLB-UHFFFAOYSA-N -1 0 476.623 6.298 50 10 JKCARM CC1CCN(c2cc(Nc3ccc(C(=O)[O-])cc3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003742035 194359584 /nfs/dbraw/zinc/35/95/84/194359584.db2.gz BCSSTWMTOBZCRD-UHFFFAOYSA-N -1 0 453.498 5.717 50 10 JKCARM CC1CCN(c2cc(Nc3ccccc3C(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000003742034 194359596 /nfs/dbraw/zinc/35/95/96/194359596.db2.gz XKIRQTBRLHSRGS-UHFFFAOYSA-N -1 0 453.498 5.717 50 10 JKCARM C[C@H]1CCCN(c2cc(Nc3cccc(C(=O)[O-])c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742045 194359620 /nfs/dbraw/zinc/35/96/20/194359620.db2.gz QIYZLTZRHDPPLN-HNNXBMFYSA-N -1 0 453.498 5.717 50 10 JKCARM C[C@@H]1CCCCN1c1cc(Nc2ccc(C(=O)[O-])cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000003742053 194359649 /nfs/dbraw/zinc/35/96/49/194359649.db2.gz NJKWWSVYNAIJSD-OAHLLOKOSA-N -1 0 453.498 5.860 50 10 JKCARM CN(C)c1ccccc1NC(=O)C1=CC(=NNc2cccc(S(=O)(=O)[O-])c2)c2ccccc2C1=O ZINC000004044762 194372067 /nfs/dbraw/zinc/37/20/67/194372067.db2.gz LATLQLIRGWSXFM-BYYHNAKLSA-N -1 0 490.541 5.526 50 10 JKCARM CN(C)c1ccc(C(=O)[O-])cc1NC(=O)C1=CC(=NNc2ccccc2)c2ccccc2C1=O ZINC000004044752 194372105 /nfs/dbraw/zinc/37/21/05/194372105.db2.gz OVOWSCGXQRWLJU-ZQHSETAFSA-N -1 0 454.486 5.977 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000004209086 194384531 /nfs/dbraw/zinc/38/45/31/194384531.db2.gz NBOBKKLPIHVXJK-LPYMAVHISA-N -1 0 474.488 5.537 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000004209035 194384616 /nfs/dbraw/zinc/38/46/16/194384616.db2.gz MDDCBZQBAJMFRI-OEAKJJBVSA-N -1 0 471.469 5.297 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455308 194453154 /nfs/dbraw/zinc/45/31/54/194453154.db2.gz QUYLVXZCCZSRQF-RBUKOAKNSA-N -1 0 475.651 6.140 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455346 194453191 /nfs/dbraw/zinc/45/31/91/194453191.db2.gz QDPCATIORLNJPG-OSZJIOELSA-N -1 0 489.678 6.220 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008763366 194479261 /nfs/dbraw/zinc/47/92/61/194479261.db2.gz LFBIGAVOWOLUCI-TVNWYLLRSA-N -1 0 455.944 5.627 50 10 JKCARM Cc1cccc(Cn2cc(/C=C3\SC(=S)N(c4cccc(C(=O)[O-])c4)C3=O)c3ccccc32)c1 ZINC000008986502 194495341 /nfs/dbraw/zinc/49/53/41/194495341.db2.gz BNRAQQQNXWWXJU-OYKKKHCWSA-N -1 0 484.602 6.102 50 10 JKCARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009094825 194525980 /nfs/dbraw/zinc/52/59/80/194525980.db2.gz FVNYBCYJLRJWKI-UHFFFAOYSA-N -1 0 450.844 5.483 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1 ZINC000009296585 194672561 /nfs/dbraw/zinc/67/25/61/194672561.db2.gz BEWAZKJPAXDZDV-WOJGMQOQSA-N -1 0 475.469 6.069 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000009323978 194691801 /nfs/dbraw/zinc/69/18/01/194691801.db2.gz PABFNVIIBHBIPH-FMCGGJTJSA-N -1 0 494.513 5.840 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)cc1Cl ZINC000009849681 194993682 /nfs/dbraw/zinc/99/36/82/194993682.db2.gz FSRVWLAHMFMUAP-ODLFYWEKSA-N -1 0 455.944 6.012 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000009884842 195013931 /nfs/dbraw/zinc/01/39/31/195013931.db2.gz QPDSSHJJXVWYJS-KNGSKEOJSA-N -1 0 487.546 5.373 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S ZINC000009884802 195013953 /nfs/dbraw/zinc/01/39/53/195013953.db2.gz JEXVXDYPWUIJJY-NCPSJORJSA-N -1 0 488.439 5.661 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009934878 195027638 /nfs/dbraw/zinc/02/76/38/195027638.db2.gz YVHAAOOPYWHJAT-BUVRLJJBSA-N -1 0 481.577 5.678 50 10 JKCARM Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000012615001 195054611 /nfs/dbraw/zinc/05/46/11/195054611.db2.gz LOUOQUAZBIJOHN-STZFKDTASA-N -1 0 477.611 5.222 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(O)cc1O ZINC000059105162 195388552 /nfs/dbraw/zinc/38/85/52/195388552.db2.gz JHZNGTWOPUNRAO-LSHDLFTRSA-N -1 0 458.514 5.072 50 10 JKCARM CC(C)OC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000033333409 519752046 /nfs/dbraw/zinc/75/20/46/519752046.db2.gz KTLVOEXLKDPDTE-XDHOZWIPSA-N -1 0 485.323 5.280 50 10 JKCARM CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(CC)cc4)C3=O)o2)ccc1Cl ZINC000033348835 520221268 /nfs/dbraw/zinc/22/12/68/520221268.db2.gz PPLVVUXLVMNWIO-RCCKNPSSSA-N -1 0 478.932 5.191 50 10 JKCARM CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000002995295 520222469 /nfs/dbraw/zinc/22/24/69/520222469.db2.gz DQHQFMYQTHUKTM-CPNJWEJPSA-N -1 0 499.350 5.590 50 10 JKCARM CCOc1cc([N+](=O)[O-])cc(CNc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1[O-] ZINC000036187706 520788063 /nfs/dbraw/zinc/78/80/63/520788063.db2.gz IXSJPCKWTRJZKV-UHFFFAOYSA-N -1 0 474.300 6.426 50 10 JKCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000033414372 520849887 /nfs/dbraw/zinc/84/98/87/520849887.db2.gz CTSDWYUWGCNPSK-JYRVWZFOSA-N -1 0 468.815 5.273 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1O ZINC000012275776 520896925 /nfs/dbraw/zinc/89/69/25/520896925.db2.gz IOFBMOSHDSLDCY-AWZKZOKMSA-N -1 0 456.325 5.153 50 10 JKCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 ZINC000009009563 521036518 /nfs/dbraw/zinc/03/65/18/521036518.db2.gz MZNNTXBUFPNTJA-XIEYBQDHSA-N -1 0 481.552 5.545 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[N-]C2=S)c1 ZINC000001203382 521381520 /nfs/dbraw/zinc/38/15/20/521381520.db2.gz DHRVJJKYYNQIFZ-LDADJPATSA-N -1 0 497.916 5.579 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000015836594 521945502 /nfs/dbraw/zinc/94/55/02/521945502.db2.gz YLCXEOYORUFFQZ-VXLYETTFSA-N -1 0 496.878 5.279 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000013552423 521950362 /nfs/dbraw/zinc/95/03/62/521950362.db2.gz FDZZWJCARAPECH-WQRHYEAKSA-N -1 0 469.324 5.042 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000033424046 521960324 /nfs/dbraw/zinc/96/03/24/521960324.db2.gz IVGTXMLWPDIUEX-ODLFYWEKSA-N -1 0 480.879 5.573 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OC)c1 ZINC000033317797 523417600 /nfs/dbraw/zinc/41/76/00/523417600.db2.gz PYAFHHDHYYMGBO-UCQKPKSFSA-N -1 0 472.497 5.098 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000001163693 523963031 /nfs/dbraw/zinc/96/30/31/523963031.db2.gz QUQOSPGGXGTUHV-LPYMAVHISA-N -1 0 472.501 5.380 50 10 JKCARM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000016739205 524184589 /nfs/dbraw/zinc/18/45/89/524184589.db2.gz NPFRDHZCEKVJIL-IYBDPMFKSA-N -1 0 477.479 5.536 50 10 JKCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000033398413 524321276 /nfs/dbraw/zinc/32/12/76/524321276.db2.gz OTLZEJPUAJZTNI-STZFKDTASA-N -1 0 462.889 5.434 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000020324502 524393491 /nfs/dbraw/zinc/39/34/91/524393491.db2.gz ZTAWBQKTROUHHG-UNOMPAQXSA-N -1 0 468.918 5.741 50 10 JKCARM Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000012445748 524455491 /nfs/dbraw/zinc/45/54/91/524455491.db2.gz KHYYQDGXOOPVAZ-IYBDPMFKSA-N -1 0 477.479 5.536 50 10 biogenic JKCARM Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)c3ccccc32)cc1 ZINC000033149439 524772537 /nfs/dbraw/zinc/77/25/37/524772537.db2.gz HOHBLQDFCOUHON-KGENOOAVSA-N -1 0 469.541 5.809 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000001160692 524924613 /nfs/dbraw/zinc/92/46/13/524924613.db2.gz ZZSCMTTZUSBGHO-UDWIEESQSA-N -1 0 491.887 5.642 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000040567440 525519761 /nfs/dbraw/zinc/51/97/61/525519761.db2.gz VUFFAYZFIFCMNN-CIKBWMHTSA-N -1 0 488.439 5.661 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C(C)C)cc3)o2)SC1=S ZINC000008884279 525519910 /nfs/dbraw/zinc/51/99/10/525519910.db2.gz KRQSFLAUGSQSEH-DAQNXSASSA-N -1 0 461.630 5.478 50 10 JKCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1 ZINC000033348803 525665727 /nfs/dbraw/zinc/66/57/27/525665727.db2.gz PJLCTNURUFYNMK-WNFQYIGGSA-N -1 0 497.912 5.572 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl ZINC000013810230 525742862 /nfs/dbraw/zinc/74/28/62/525742862.db2.gz OKLSQBLSPVWSBM-BOPFTXTBSA-N -1 0 485.721 6.178 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033332398 526091351 /nfs/dbraw/zinc/09/13/51/526091351.db2.gz OSEZWXSLBJGJLR-JAIQZWGSSA-N -1 0 453.926 5.558 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002915769 526091692 /nfs/dbraw/zinc/09/16/92/526091692.db2.gz SQSXDDABZDBUKN-YBFXNURJSA-N -1 0 484.408 5.541 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)o1 ZINC000016347959 526234260 /nfs/dbraw/zinc/23/42/60/526234260.db2.gz RSKYNMVSKUVLJA-JAIQZWGSSA-N -1 0 453.903 5.843 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000008763367 526316121 /nfs/dbraw/zinc/31/61/21/526316121.db2.gz NNXCPTRKZRTVNV-MVDPLZLPSA-N -1 0 490.389 6.281 50 10 JKCARM O=C([O-])c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 ZINC000002995220 526375272 /nfs/dbraw/zinc/37/52/72/526375272.db2.gz XPMYPHPXXXGYOM-BOPFTXTBSA-N -1 0 460.795 5.647 50 10 JKCARM O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000033318271 526938397 /nfs/dbraw/zinc/93/83/97/526938397.db2.gz VZGQVPZIMGNTHX-ACAGNQJTSA-N -1 0 471.741 5.122 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001172628 526940094 /nfs/dbraw/zinc/94/00/94/526940094.db2.gz QCBOGXWOFQEXFO-GXDHUFHOSA-N -1 0 488.308 5.833 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001203729 526946195 /nfs/dbraw/zinc/94/61/95/526946195.db2.gz WWUQZBQMTXNXSF-WJDWOHSUSA-N -1 0 498.314 5.289 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000001175237 527045908 /nfs/dbraw/zinc/04/59/08/527045908.db2.gz LJBVRPYQHRRXEL-BUVRLJJBSA-N -1 0 482.467 5.770 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000009009386 527045944 /nfs/dbraw/zinc/04/59/44/527045944.db2.gz ZARCOIPCOWCSKL-PTGBLXJZSA-N -1 0 455.583 5.463 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000016156352 527046592 /nfs/dbraw/zinc/04/65/92/527046592.db2.gz YHFWIQBWXBWAFU-MTJSOVHGSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000001150914 527046834 /nfs/dbraw/zinc/04/68/34/527046834.db2.gz BBNMEXRIDDMCSL-RGVLZGJSSA-N -1 0 476.872 5.154 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000015836324 527046868 /nfs/dbraw/zinc/04/68/68/527046868.db2.gz FYHVKHHVRVXFDH-XDHOZWIPSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000012374277 527083426 /nfs/dbraw/zinc/08/34/26/527083426.db2.gz JJDCBRHZQBCPCB-MTJSOVHGSA-N -1 0 462.336 5.458 50 10 JKCARM O=c1c2ccc([O-])c(CN3CCOCC3)c2oc(C(F)(F)F)c1Oc1ccc2ccccc2c1 ZINC000019791838 527463099 /nfs/dbraw/zinc/46/30/99/527463099.db2.gz QXBGDZDJNAUNPL-UHFFFAOYSA-N -1 0 471.431 5.295 50 10 JKCARM O=c1c2ccc([O-])c(CN3CCOCC3)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1Cl ZINC000019791513 527463152 /nfs/dbraw/zinc/46/31/52/527463152.db2.gz LOHRAJVSXCTPKI-UHFFFAOYSA-N -1 0 474.262 5.323 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000008765659 527577455 /nfs/dbraw/zinc/57/74/55/527577455.db2.gz IPWYDDKMYNJTTO-SDXDJHTJSA-N -1 0 484.481 6.246 50 10 JKCARM CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)[N-]C1=S ZINC000000637456 553721618 /nfs/dbraw/zinc/72/16/18/553721618.db2.gz ZLCOIEQNSRYXEH-UDWIEESQSA-N -1 0 473.554 5.057 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000000640718 553723469 /nfs/dbraw/zinc/72/34/69/553723469.db2.gz ZHRVLUNNTMVUPV-UDWIEESQSA-N -1 0 483.351 5.433 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000000654507 553735078 /nfs/dbraw/zinc/73/50/78/553735078.db2.gz PPLYAMBRVPONNA-XDHOZWIPSA-N -1 0 486.435 5.122 50 10 JKCARM CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000000706666 553763880 /nfs/dbraw/zinc/76/38/80/553763880.db2.gz HXTBQUXUAGGWDA-FOWTUZBSSA-N -1 0 471.365 6.217 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000843415 553793868 /nfs/dbraw/zinc/79/38/68/553793868.db2.gz WPFNXTBJPWGTAN-RGVLZGJSSA-N -1 0 480.933 5.327 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000000859938 553801627 /nfs/dbraw/zinc/80/16/27/553801627.db2.gz QMFUTZQADJFLAD-BUVRLJJBSA-N -1 0 488.613 5.230 50 10 JKCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1 ZINC000000980641 553891035 /nfs/dbraw/zinc/89/10/35/553891035.db2.gz PJLCTNURUFYNMK-ODCIPOBUSA-N -1 0 497.912 5.572 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OC)c1 ZINC000001184212 553929980 /nfs/dbraw/zinc/92/99/80/553929980.db2.gz PYAFHHDHYYMGBO-OEAKJJBVSA-N -1 0 472.497 5.098 50 10 JKCARM Cc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)[N-]C2=S)c1C ZINC000002061604 554017778 /nfs/dbraw/zinc/01/77/78/554017778.db2.gz NAPSGDPSELYNLA-LDADJPATSA-N -1 0 464.631 5.435 50 10 JKCARM CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(CC)cc4)C3=O)o2)ccc1Cl ZINC000002125575 554057991 /nfs/dbraw/zinc/05/79/91/554057991.db2.gz PPLVVUXLVMNWIO-QNGOZBTKSA-N -1 0 478.932 5.191 50 10 JKCARM Cc1cc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1Cl ZINC000002149649 554068691 /nfs/dbraw/zinc/06/86/91/554068691.db2.gz YZCQOEFFGVOIJI-RCCKNPSSSA-N -1 0 483.351 5.221 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000002164834 554075320 /nfs/dbraw/zinc/07/53/20/554075320.db2.gz FMXOHDXXDBKEGV-ZDLGFXPLSA-N -1 0 460.294 6.193 50 10 JKCARM CCc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000002234763 554106969 /nfs/dbraw/zinc/10/69/69/554106969.db2.gz BLIZIKXSRRCXCO-XKZIYDEJSA-N -1 0 461.949 5.285 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002235452 554107544 /nfs/dbraw/zinc/10/75/44/554107544.db2.gz XMURCPLVBUKHAE-WGOQTCKBSA-N -1 0 489.506 6.489 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000002248951 554113240 /nfs/dbraw/zinc/11/32/40/554113240.db2.gz GIWMLDKRAYNZKA-JJIBRWJFSA-N -1 0 499.954 5.430 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002277347 554129407 /nfs/dbraw/zinc/12/94/07/554129407.db2.gz BKGKIRLLGUPIKQ-ZHZULCJRSA-N -1 0 471.969 6.015 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002277607 554129686 /nfs/dbraw/zinc/12/96/86/554129686.db2.gz ZVDZNJHYYOBQGP-HMAPJEAMSA-N -1 0 471.969 6.015 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000002282078 554131354 /nfs/dbraw/zinc/13/13/54/554131354.db2.gz NZNGOCCODWWFRG-XKZIYDEJSA-N -1 0 471.969 5.174 50 10 JKCARM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000002373040 554171873 /nfs/dbraw/zinc/17/18/73/554171873.db2.gz HTKHWFATSLDKNY-LPYMAVHISA-N -1 0 469.928 5.522 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000002381898 554175927 /nfs/dbraw/zinc/17/59/27/554175927.db2.gz LSNKMTWKMCQLGI-ZPWPBLDLSA-N -1 0 496.009 5.946 50 10 JKCARM COc1ccccc1N1C(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)[N-]C1=S ZINC000002389164 554178797 /nfs/dbraw/zinc/17/87/97/554178797.db2.gz YTUSEXNLJYUZQI-XDJHFCHBSA-N -1 0 453.523 5.515 50 10 JKCARM Cc1cc(C)c(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000002450352 554217504 /nfs/dbraw/zinc/21/75/04/554217504.db2.gz DTUCAIMBDFWEFB-BUVRLJJBSA-N -1 0 479.605 6.286 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000002700639 554293986 /nfs/dbraw/zinc/29/39/86/554293986.db2.gz VWEOZURNEMTWJL-BHJKQYKASA-N -1 0 496.009 5.946 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000002754668 554327670 /nfs/dbraw/zinc/32/76/70/554327670.db2.gz FDJLMPBQEBOIHT-ZWKOTPCHSA-N -1 0 461.624 5.750 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000002754670 554327696 /nfs/dbraw/zinc/32/76/96/554327696.db2.gz FDJLMPBQEBOIHT-ROUUACIJSA-N -1 0 461.624 5.750 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC ZINC000002811582 554360579 /nfs/dbraw/zinc/36/05/79/554360579.db2.gz QQVCOEKABMSSSK-LICLKQGHSA-N -1 0 458.967 5.426 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1 ZINC000002873476 554396828 /nfs/dbraw/zinc/39/68/28/554396828.db2.gz MEOSZMGCPIDJMU-DEDYPNTBSA-N -1 0 477.498 5.234 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000002997480 554422126 /nfs/dbraw/zinc/42/21/26/554422126.db2.gz PLASDSQJWBHIEZ-NVNXTCNLSA-N -1 0 465.350 5.086 50 10 JKCARM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cc2Cl)cc1 ZINC000006456778 554541467 /nfs/dbraw/zinc/54/14/67/554541467.db2.gz XWZOBDSFMYAPSD-NHDPSOOVSA-N -1 0 496.997 5.414 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1C ZINC000006858901 554558950 /nfs/dbraw/zinc/55/89/50/554558950.db2.gz TXXAYCBWDDMQLU-WSDLNYQXSA-N -1 0 490.537 5.245 50 10 JKCARM Cc1cccc(N=Nc2c([O-])n(-c3ccccc3)c(=S)n(-c3ccc4ccccc4c3)c2=O)c1 ZINC000008437602 554588384 /nfs/dbraw/zinc/58/83/84/554588384.db2.gz OWMOWNDDRGMWDI-USTXVIIHSA-N -1 0 464.550 5.965 50 10 JKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000008442876 554592573 /nfs/dbraw/zinc/59/25/73/554592573.db2.gz ZMDYGYOOLFDXJL-HYARGMPZSA-N -1 0 458.470 5.016 50 10 JKCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 ZINC000008496283 554600889 /nfs/dbraw/zinc/60/08/89/554600889.db2.gz IWANSPYEHJHTLX-STZFKDTASA-N -1 0 478.932 5.189 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008741492 554644012 /nfs/dbraw/zinc/64/40/12/554644012.db2.gz WGHSYYILDCYTAB-XKZIYDEJSA-N -1 0 473.891 5.989 50 10 JKCARM Cc1cccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000008743495 554646254 /nfs/dbraw/zinc/64/62/54/554646254.db2.gz JNTIITMHPIBUIU-KOEQRZSOSA-N -1 0 497.526 6.065 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 ZINC000008767797 554668460 /nfs/dbraw/zinc/66/84/60/554668460.db2.gz NWZNYUINQJFPGW-WOJGMQOQSA-N -1 0 455.297 5.741 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000008767926 554668490 /nfs/dbraw/zinc/66/84/90/554668490.db2.gz YFURKOIMFJAGNG-BOPFTXTBSA-N -1 0 471.694 5.869 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008816278 554698117 /nfs/dbraw/zinc/69/81/17/554698117.db2.gz XCCJBEPQNULJBQ-UVTDQMKNSA-N -1 0 461.301 5.224 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000008818972 554703319 /nfs/dbraw/zinc/70/33/19/554703319.db2.gz CWRAKNDVGNHLQM-FSEGOYHTSA-N -1 0 488.439 5.661 50 10 JKCARM N=C1S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000008867286 554761163 /nfs/dbraw/zinc/76/11/63/554761163.db2.gz MBJNMDBAACSSKO-BTGMWCQSSA-N -1 0 474.416 5.599 50 10 JKCARM C[C@H](Sc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O)C(=O)[O-] ZINC000008870800 554765609 /nfs/dbraw/zinc/76/56/09/554765609.db2.gz ZITWNKUNXRCDPW-AWEZNQCLSA-N -1 0 453.541 5.065 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C(C)C)cc3)o2)SC1=S ZINC000008884280 554778651 /nfs/dbraw/zinc/77/86/51/554778651.db2.gz KRQSFLAUGSQSEH-MIQLPHMESA-N -1 0 461.630 5.478 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1 ZINC000008914545 554807658 /nfs/dbraw/zinc/80/76/58/554807658.db2.gz KUYXJDDDVSUKHM-PJVCEZMGSA-N -1 0 456.542 5.119 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000008919692 554816472 /nfs/dbraw/zinc/81/64/72/554816472.db2.gz FYBLDXNUJIOTPI-MLCYQJTMSA-N -1 0 483.859 6.840 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000008927292 554824786 /nfs/dbraw/zinc/82/47/86/554824786.db2.gz UGKWIQJWLAWJJE-BOPFTXTBSA-N -1 0 483.889 5.188 50 10 JKCARM CC[C@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000008952226 554835778 /nfs/dbraw/zinc/83/57/78/554835778.db2.gz TYEMATUKFKXUNU-VHVXKRGMSA-N -1 0 456.542 5.119 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000008965117 554839274 /nfs/dbraw/zinc/83/92/74/554839274.db2.gz VSJANGNKYQUPJL-SDXDJHTJSA-N -1 0 484.481 6.246 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)cc1 ZINC000008993766 554854042 /nfs/dbraw/zinc/85/40/42/554854042.db2.gz DPPSELHAQHKYNR-LGUFXXKBSA-N -1 0 498.579 5.417 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000009041912 554869008 /nfs/dbraw/zinc/86/90/08/554869008.db2.gz KKAGIJKORMDKNJ-BOPFTXTBSA-N -1 0 459.310 6.244 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1 ZINC000009046358 554870566 /nfs/dbraw/zinc/87/05/66/554870566.db2.gz JSCAQLWPWBMXEL-SGWCAAJKSA-N -1 0 482.580 5.654 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1 ZINC000009065865 554885495 /nfs/dbraw/zinc/88/54/95/554885495.db2.gz KUYXJDDDVSUKHM-HOIQBIFOSA-N -1 0 456.542 5.119 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1 ZINC000009089864 554890597 /nfs/dbraw/zinc/89/05/97/554890597.db2.gz SSMGYNZJSLEFLZ-JJIBRWJFSA-N -1 0 451.526 5.455 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009090006 554890939 /nfs/dbraw/zinc/89/09/39/554890939.db2.gz YBMIHDREDGJUMS-HMAPJEAMSA-N -1 0 455.901 5.850 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1 ZINC000009090125 554890979 /nfs/dbraw/zinc/89/09/79/554890979.db2.gz OORNVXVETLYBPM-HZHRSRAPSA-N -1 0 485.971 5.390 50 10 JKCARM CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000009113108 554900463 /nfs/dbraw/zinc/90/04/63/554900463.db2.gz HFAVZXVXUTUFSI-AYBPGSHHSA-N -1 0 486.568 5.128 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1Cl ZINC000009190979 554962727 /nfs/dbraw/zinc/96/27/27/554962727.db2.gz QNXUVRJRWFMSGQ-BOPFTXTBSA-N -1 0 485.721 5.337 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1C ZINC000009232980 555005565 /nfs/dbraw/zinc/00/55/65/555005565.db2.gz QQYXAXXZZAJQGY-WSDLNYQXSA-N -1 0 490.537 5.245 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(CCOc4ccccc4)C3=O)o2)ccc1Cl ZINC000009235724 555009764 /nfs/dbraw/zinc/00/97/64/555009764.db2.gz MHNRXGBCXRQWQE-DEDYPNTBSA-N -1 0 469.902 5.414 50 10 JKCARM O=C([N-]N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)c1cccs1 ZINC000009235915 555010105 /nfs/dbraw/zinc/01/01/05/555010105.db2.gz IZWQWPKJSZKDRT-MHWRWJLKSA-N -1 0 480.514 5.573 50 10 JKCARM O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)SC(=S)N1Cc1ccccc1 ZINC000009296564 555073323 /nfs/dbraw/zinc/07/33/23/555073323.db2.gz NYJVFVHUVXIRQX-ZSOIEALJSA-N -1 0 485.222 5.319 50 10 JKCARM CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)cc1 ZINC000009310429 555086331 /nfs/dbraw/zinc/08/63/31/555086331.db2.gz CNOAZTNISLTINO-UDWIEESQSA-N -1 0 485.970 6.103 50 10 JKCARM COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)[O-])c3)C2=O)cc1Br ZINC000009311241 555087530 /nfs/dbraw/zinc/08/75/30/555087530.db2.gz LJFHZSVFOKSIOP-XDHOZWIPSA-N -1 0 476.326 5.627 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000009311129 555087606 /nfs/dbraw/zinc/08/76/06/555087606.db2.gz GONPOPZQDVGEFS-ONUIUJJFSA-N -1 0 485.653 5.885 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4[nH]c3-c3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000009331662 555101400 /nfs/dbraw/zinc/10/14/00/555101400.db2.gz QNTIMHVZHSLTRP-PXLXIMEGSA-N -1 0 451.551 5.283 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000009423991 555188310 /nfs/dbraw/zinc/18/83/10/555188310.db2.gz CJCQTYKWVRWPSL-UCQKPKSFSA-N -1 0 483.955 5.876 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009424489 555189179 /nfs/dbraw/zinc/18/91/79/555189179.db2.gz DRXJQUOAHOLMIG-JAIQZWGSSA-N -1 0 487.865 5.433 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000009428124 555193639 /nfs/dbraw/zinc/19/36/39/555193639.db2.gz YAGGXTSGPFHWKT-XWCAUFEOSA-N -1 0 480.973 6.264 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 ZINC000009428551 555194110 /nfs/dbraw/zinc/19/41/10/555194110.db2.gz KVAUWOVLMGKEGA-QIQQCEGHSA-N -1 0 483.351 6.433 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 ZINC000009428467 555194196 /nfs/dbraw/zinc/19/41/96/555194196.db2.gz AGLDPNVGPVNATQ-ATVHPVEESA-N -1 0 455.297 5.482 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccc5ccccc54)c3C)C2=O)cc1Cl ZINC000009456702 555226274 /nfs/dbraw/zinc/22/62/74/555226274.db2.gz RNFNJQOZNSSVMR-HMAPJEAMSA-N -1 0 499.954 5.576 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009463981 555234974 /nfs/dbraw/zinc/23/49/74/555234974.db2.gz GKVWZLRYAXOQCJ-XKZIYDEJSA-N -1 0 463.990 5.196 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000009477636 555258665 /nfs/dbraw/zinc/25/86/65/555258665.db2.gz UDCGTJBSRPVNNA-XIAMHYJPSA-N -1 0 491.591 6.178 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)cc1 ZINC000009659535 555363015 /nfs/dbraw/zinc/36/30/15/555363015.db2.gz IMRORCXGUSGRQW-XHPQRKPJSA-N -1 0 498.579 5.417 50 10 JKCARM COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000013361784 555387322 /nfs/dbraw/zinc/38/73/22/555387322.db2.gz ZVWNMHXVFZPFQG-ATLLOTDBSA-N -1 0 466.990 5.976 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1ccc(Cl)cc1Cl ZINC000013570400 555508454 /nfs/dbraw/zinc/50/84/54/555508454.db2.gz AXKXSSIGZMOKKZ-QGOAFFKASA-N -1 0 488.302 5.520 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)SC2=S)c1 ZINC000009805394 555517242 /nfs/dbraw/zinc/51/72/42/555517242.db2.gz ACYCIXJDMPZCHJ-MTJSOVHGSA-N -1 0 481.982 6.023 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cccc(C)c3)C2=O)cc1 ZINC000013685277 555578877 /nfs/dbraw/zinc/57/88/77/555578877.db2.gz JFKWYPGZMMWJGP-SWYXWEQBSA-N -1 0 471.557 5.055 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([C@H](C)CC)cc4)C3=O)o2)cc1 ZINC000013687851 555581033 /nfs/dbraw/zinc/58/10/33/555581033.db2.gz UYAYEWVCXVVTNE-CXJVOSNZSA-N -1 0 486.524 5.303 50 10 JKCARM Cc1cccc(C)c1OCCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013688272 555581453 /nfs/dbraw/zinc/58/14/53/555581453.db2.gz LHNNPQUGPUSPAM-HAHDFKILSA-N -1 0 483.524 5.432 50 10 JKCARM Cc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013689396 555582938 /nfs/dbraw/zinc/58/29/38/555582938.db2.gz KGCOPMRRBHHFBJ-JCMHNJIXSA-N -1 0 469.497 5.124 50 10 JKCARM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000010059722 555610651 /nfs/dbraw/zinc/61/06/51/555610651.db2.gz XMJIPLQOKSATGD-UHFFFAOYSA-N -1 0 450.741 5.134 50 10 JKCARM Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1c2nsnc2ccc1C ZINC000020036801 555611238 /nfs/dbraw/zinc/61/12/38/555611238.db2.gz LEKMUUWPEDISSJ-ZROIWOOFSA-N -1 0 456.369 5.098 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000013810422 555625528 /nfs/dbraw/zinc/62/55/28/555625528.db2.gz HZWKYWNFCLRVPE-ZZMKYJANSA-N -1 0 490.987 5.773 50 10 JKCARM COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000013880131 555638878 /nfs/dbraw/zinc/63/88/78/555638878.db2.gz REWUZDIRQMLXGX-HYARGMPZSA-N -1 0 487.581 5.169 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000013896604 555643624 /nfs/dbraw/zinc/64/36/24/555643624.db2.gz BSNNZAOIDSEZIT-NAHYFOQLSA-N -1 0 472.516 5.585 50 10 JKCARM CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1 ZINC000013914537 555646401 /nfs/dbraw/zinc/64/64/01/555646401.db2.gz HTYCNHKUSPZBPS-UCQKPKSFSA-N -1 0 456.498 5.169 50 10 JKCARM COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1Cl ZINC000013914802 555646712 /nfs/dbraw/zinc/64/67/12/555646712.db2.gz JCVRVZGNOCYRKJ-MTJSOVHGSA-N -1 0 476.916 5.432 50 10 JKCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000013940311 555650461 /nfs/dbraw/zinc/65/04/61/555650461.db2.gz PUGFUVGMYMHQQU-WOJGMQOQSA-N -1 0 451.822 5.323 50 10 JKCARM C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1)c1ccccc1 ZINC000013940463 555651247 /nfs/dbraw/zinc/65/12/47/555651247.db2.gz RTQMPVNYFCRYPZ-GRVPHDJPSA-N -1 0 491.341 5.256 50 10 JKCARM CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000013940557 555651582 /nfs/dbraw/zinc/65/15/82/555651582.db2.gz HFAVZXVXUTUFSI-CTNNYUBMSA-N -1 0 486.568 5.128 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc([C@H](C)CC)cc3)C2=O)cc1 ZINC000013940698 555651589 /nfs/dbraw/zinc/65/15/89/555651589.db2.gz ATOKWDIIQZKAIK-KHKYUJEISA-N -1 0 485.584 6.150 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000013942087 555653070 /nfs/dbraw/zinc/65/30/70/555653070.db2.gz APRGYPOHPLUEEI-GZTJUZNOSA-N -1 0 471.694 5.029 50 10 JKCARM COC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4cc(C)cc(C)c4)C3=O)o2)c(C)c1 ZINC000013942265 555653236 /nfs/dbraw/zinc/65/32/36/555653236.db2.gz IWNIHMIPYZJVBX-FYJGNVAPSA-N -1 0 474.538 5.330 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013943034 555654396 /nfs/dbraw/zinc/65/43/96/555654396.db2.gz TUNODDOJGJFFMM-BKUYFWCQSA-N -1 0 467.308 5.239 50 10 JKCARM COc1cccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 ZINC000014010831 555670317 /nfs/dbraw/zinc/67/03/17/555670317.db2.gz PJPVMBMEJNUGJD-WQRHYEAKSA-N -1 0 484.339 5.076 50 10 JKCARM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000020192366 555693363 /nfs/dbraw/zinc/69/33/63/555693363.db2.gz VNYACUMNKIHHGT-IWIPYMOSSA-N -1 0 457.599 5.945 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000020210161 555702764 /nfs/dbraw/zinc/70/27/64/555702764.db2.gz IYUWFQQXUDLNPU-BOPFTXTBSA-N -1 0 456.285 5.299 50 10 JKCARM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(SCc3ccc(Cl)cc3)o2)C1=O ZINC000020324462 555772258 /nfs/dbraw/zinc/77/22/58/555772258.db2.gz CNSGUBRUXMKXFL-HYTQYMIGSA-N -1 0 466.946 6.289 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 ZINC000020324541 555772572 /nfs/dbraw/zinc/77/25/72/555772572.db2.gz FRNAHROBHKEDCF-WQRHYEAKSA-N -1 0 456.882 5.871 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000020324965 555772915 /nfs/dbraw/zinc/77/29/15/555772915.db2.gz YICURBUTJUKBSB-WQRHYEAKSA-N -1 0 488.011 6.329 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000015276547 555892060 /nfs/dbraw/zinc/89/20/60/555892060.db2.gz IBWQMCLALIBJNS-RGVLZGJSSA-N -1 0 469.324 5.042 50 10 JKCARM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000022364413 555926021 /nfs/dbraw/zinc/92/60/21/555926021.db2.gz XCIYUSRWAJJISK-RIYZIHGNSA-N -1 0 498.160 5.211 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000015922458 556069407 /nfs/dbraw/zinc/06/94/07/556069407.db2.gz XPBWURPOHQGIJK-OZXSUGGESA-N -1 0 495.793 7.748 50 10 JKCARM CC(C)(C)c1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(C(C)(C)C)c1O ZINC000015945128 556081200 /nfs/dbraw/zinc/08/12/00/556081200.db2.gz LAHLLDPIKQIOQV-CXUHLZMHSA-N -1 0 464.518 5.223 50 10 JKCARM C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015947458 556085565 /nfs/dbraw/zinc/08/55/65/556085565.db2.gz CKOTZNITJSGSJB-KWKYVRJSSA-N -1 0 472.202 5.532 50 10 JKCARM O=C1N[C@@H](c2cc(Br)cc(Br)c2[O-])Nc2scc(-c3ccccc3)c21 ZINC000015947866 556086448 /nfs/dbraw/zinc/08/64/48/556086448.db2.gz OEAUWZQQDFOQEX-MRXNPFEDSA-N -1 0 480.181 6.075 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1Cl ZINC000017044452 556210435 /nfs/dbraw/zinc/21/04/35/556210435.db2.gz NSRMGSDRRDWKAO-PTNGSMBKSA-N -1 0 457.269 5.769 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000017057519 556214442 /nfs/dbraw/zinc/21/44/42/556214442.db2.gz XLLCCCIABDHLJY-KHCKMINHSA-N -1 0 491.975 6.241 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1 ZINC000017058847 556214713 /nfs/dbraw/zinc/21/47/13/556214713.db2.gz ILWTXUSDLMJJND-YMNYDYPGSA-N -1 0 491.975 5.605 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025558573 556220616 /nfs/dbraw/zinc/22/06/16/556220616.db2.gz HLWNFZUSCCQXTE-SIKLNZKXSA-N -1 0 480.178 7.248 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025559498 556220876 /nfs/dbraw/zinc/22/08/76/556220876.db2.gz ASRBWMHHDHHJKG-UGKGYDQZSA-N -1 0 490.184 6.704 50 10 JKCARM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1C ZINC000017145805 556225882 /nfs/dbraw/zinc/22/58/82/556225882.db2.gz KJFXWSSVZJNVHQ-XSFVSMFZSA-N -1 0 461.562 5.776 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccs1 ZINC000017193947 556237669 /nfs/dbraw/zinc/23/76/69/556237669.db2.gz DENDOQQAYRXEOG-ODLFYWEKSA-N -1 0 488.487 5.206 50 10 JKCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S ZINC000013040932 556245445 /nfs/dbraw/zinc/24/54/45/556245445.db2.gz ZZPRWKXCKYEKCX-RIYZIHGNSA-N -1 0 461.870 5.295 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)c1 ZINC000027520654 556283655 /nfs/dbraw/zinc/28/36/55/556283655.db2.gz KJNBJKBSGQAEOZ-UNOMPAQXSA-N -1 0 465.303 5.833 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1 ZINC000027520671 556283674 /nfs/dbraw/zinc/28/36/74/556283674.db2.gz HBLYZXUTGWWKTD-PDGQHHTCSA-N -1 0 465.303 5.833 50 10 JKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000027550000 556296159 /nfs/dbraw/zinc/29/61/59/556296159.db2.gz PULXZJYQXYSHPR-WQRHYEAKSA-N -1 0 496.273 5.122 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1 ZINC000018190733 556300745 /nfs/dbraw/zinc/30/07/45/556300745.db2.gz VEGJQRZJMSUPTF-IMRQLAEWSA-N -1 0 481.596 5.804 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4cccc5ccccc54)c(C(F)(F)F)oc32)C[C@@H](C)O1 ZINC000019791783 556370994 /nfs/dbraw/zinc/37/09/94/556370994.db2.gz HESWFMURDPMTQJ-HZPDHXFCSA-N -1 0 483.486 5.947 50 10 biogenic JKCARM C[C@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000019791826 556371147 /nfs/dbraw/zinc/37/11/47/556371147.db2.gz AENRHFJPARHXSA-STQMWFEESA-N -1 0 467.871 5.447 50 10 JKCARM Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019792876 556371436 /nfs/dbraw/zinc/37/14/36/556371436.db2.gz FTKKAVDPPJWTOT-GJZGRUSLSA-N -1 0 463.452 5.227 50 10 JKCARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@H](C)O[C@@H](C)C3)c2oc1C(F)(F)F ZINC000019792861 556371551 /nfs/dbraw/zinc/37/15/51/556371551.db2.gz JEEJNSSKDTWJGZ-HOTGVXAUSA-N -1 0 491.506 6.042 50 10 JKCARM Cc1cc(Oc2c(=O)c3ccc([O-])c(CN4CCOCC4)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000019793137 556372729 /nfs/dbraw/zinc/37/27/29/556372729.db2.gz QJQOKDBJTNSVOB-UHFFFAOYSA-N -1 0 483.870 5.412 50 10 JKCARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C=C1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000032099453 556415921 /nfs/dbraw/zinc/41/59/21/556415921.db2.gz KTKFPQCZSCYPMO-NPBUNYCVSA-N -1 0 494.395 5.412 50 10 JKCARM CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl ZINC000032099359 556416036 /nfs/dbraw/zinc/41/60/36/556416036.db2.gz ZIWXDVFMWHMRDT-PDGQHHTCSA-N -1 0 485.323 5.200 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(=O)c4ccccc4Cl)cc3)C2=O)cc1 ZINC000032670989 556467936 /nfs/dbraw/zinc/46/79/36/556467936.db2.gz YEHIXMVOBNULPA-QNGOZBTKSA-N -1 0 474.900 5.628 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000032694349 556471742 /nfs/dbraw/zinc/47/17/42/556471742.db2.gz MOMDPFNTIUDLCP-XSFVSMFZSA-N -1 0 476.019 5.765 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000032694345 556471795 /nfs/dbraw/zinc/47/17/95/556471795.db2.gz BWKZUODPYZVKAE-DEDYPNTBSA-N -1 0 492.018 5.384 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)cc2)cc1 ZINC000032694365 556472054 /nfs/dbraw/zinc/47/20/54/556472054.db2.gz VILIDXQCUWDJSI-DWFNGTSHSA-N -1 0 475.591 5.601 50 10 JKCARM COc1cc2c(cc1OC)CN(Cc1c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc31)CC2 ZINC000032855935 556512318 /nfs/dbraw/zinc/51/23/18/556512318.db2.gz APPWQTKTUHZAEA-UHFFFAOYSA-N -1 0 457.526 5.050 50 10 JKCARM Cc1c(O)c(O)cc2c1CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]12C ZINC000004165498 562932615 /nfs/dbraw/zinc/93/26/15/562932615.db2.gz WZAUFGYINZYCKH-JJWQIEBTSA-N -1 0 452.635 6.644 50 10 in-vitro JKCARM Cc1cc(-c2ccc(C=C3SC(Nc4ccc(Cl)c(C(=O)[O-])c4)=NC3=O)o2)c([N+](=O)[O-])cc1C ZINC000033909199 563111216 /nfs/dbraw/zinc/11/12/16/563111216.db2.gz RTHRCOIONCZINZ-KEBDBYFISA-N -1 0 497.916 5.906 50 10 in-vitro JKCARM COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccccc3C(=O)[O-])C2=S)cc1 ZINC000034869752 563117086 /nfs/dbraw/zinc/11/70/86/563117086.db2.gz KYZAEJNAKPKGDV-HMMYKYKNSA-N -1 0 484.599 5.430 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008438770 569589732 /nfs/dbraw/zinc/58/97/32/569589732.db2.gz LVVOAIZXVYXADD-XKZIYDEJSA-N -1 0 462.933 5.006 50 10 JKCARM Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000035190567 569677955 /nfs/dbraw/zinc/67/79/55/569677955.db2.gz MCMATWGGZDDQPB-JCMHNJIXSA-N -1 0 497.378 5.611 50 10 JKCARM CC(C)Cn1c(=O)c(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc2ccccc21 ZINC000085875190 569715693 /nfs/dbraw/zinc/71/56/93/569715693.db2.gz PQFQQMXXGIKGPM-UHFFFAOYSA-N -1 0 498.539 5.254 50 10 biogenic JKCARM CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCc2cc(OC)c(OC)cc2C1 ZINC000085878263 569715998 /nfs/dbraw/zinc/71/59/98/569715998.db2.gz FEQAAELNJONUTG-UHFFFAOYSA-N -1 0 457.954 5.070 50 10 biogenic JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1coc2ccc(Cl)cc2c1=O ZINC000085877625 569716085 /nfs/dbraw/zinc/71/60/85/569716085.db2.gz QVYHOFOSZABJST-UHFFFAOYSA-N -1 0 477.860 5.043 50 10 biogenic JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000095472987 569723690 /nfs/dbraw/zinc/72/36/90/569723690.db2.gz JFPLILSIDUQNEP-UHFFFAOYSA-N -1 0 461.474 5.247 50 10 JKCARM O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc([N+](=O)[O-])s3)c12 ZINC000095474879 569724220 /nfs/dbraw/zinc/72/42/20/569724220.db2.gz JZFJCUPORMKLKY-UHFFFAOYSA-N -1 0 466.475 5.177 50 10 JKCARM COc1ccc([C@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C ZINC000096114779 569733908 /nfs/dbraw/zinc/73/39/08/569733908.db2.gz FTGKRIGUKLIEHI-QGZVFWFLSA-N -1 0 488.492 5.108 50 10 biogenic JKCARM COc1cccc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C ZINC000096115078 569734098 /nfs/dbraw/zinc/73/40/98/569734098.db2.gz FUGUXEPADIKDCN-KRWDZBQOSA-N -1 0 488.492 5.108 50 10 biogenic JKCARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12 ZINC000096115519 569734482 /nfs/dbraw/zinc/73/44/82/569734482.db2.gz KGMCBRZIYLYNOT-SFHVURJKSA-N -1 0 496.471 5.180 50 10 biogenic JKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000100147383 569753916 /nfs/dbraw/zinc/75/39/16/569753916.db2.gz VDOLRXWLUSWSPO-HYARGMPZSA-N -1 0 491.341 5.532 50 10 JKCARM CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000100148200 569754024 /nfs/dbraw/zinc/75/40/24/569754024.db2.gz JHJVBGJXHYHQRV-XDHOZWIPSA-N -1 0 451.276 5.213 50 10 JKCARM CCC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100157848 569754182 /nfs/dbraw/zinc/75/41/82/569754182.db2.gz SXPZWLHGSRLJBP-DTQAZKPQSA-N -1 0 495.324 6.100 50 10 JKCARM O=c1c(C=Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)[n-]n1-c1ccc(OC(F)(F)F)cc1 ZINC000100409010 569759372 /nfs/dbraw/zinc/75/93/72/569759372.db2.gz KXVCHYNYUGUXJP-RIYZIHGNSA-N -1 0 484.183 6.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100524790 569763620 /nfs/dbraw/zinc/76/36/20/569763620.db2.gz YUCZAXYPECJRNF-FTGFMQHASA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc2ccccc21 ZINC000100525101 569763631 /nfs/dbraw/zinc/76/36/31/569763631.db2.gz HXBJGZYIEXRQAE-CWHMERMBSA-N -1 0 490.386 6.601 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000100561437 569764595 /nfs/dbraw/zinc/76/45/95/569764595.db2.gz BWWNAGPGWWNIIK-LPYMAVHISA-N -1 0 469.928 5.847 50 10 JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Oc5ccccc5)cc4)c3=O)n2)cc1 ZINC000100687234 569766793 /nfs/dbraw/zinc/76/67/93/569766793.db2.gz QTKTUXBHNJOJJC-RVGLIBJPSA-N -1 0 483.553 6.486 50 10 JKCARM O=C1/C(=C\c2ccc(-c3ccc([O-])c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000037214357 569781768 /nfs/dbraw/zinc/78/17/68/569781768.db2.gz SQTGZUJJHODBGT-GIJQJNRQSA-N -1 0 493.349 6.273 50 10 JKCARM COc1ccc(-c2nnc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)s2)cc1 ZINC000101113894 569783320 /nfs/dbraw/zinc/78/33/20/569783320.db2.gz BPSOBEVGTSCXID-NTEUORMPSA-N -1 0 494.791 5.892 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)[N-]C2=S)c1C ZINC000038163370 569799777 /nfs/dbraw/zinc/79/97/77/569799777.db2.gz NAPSGDPSELYNLA-PDGQHHTCSA-N -1 0 464.631 6.276 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000040567417 569830331 /nfs/dbraw/zinc/83/03/31/569830331.db2.gz LWLLIJOYYCEJIL-KWZJRMENSA-N -1 0 453.994 5.008 50 10 JKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Cl)cc1Br ZINC000103877853 569838750 /nfs/dbraw/zinc/83/87/50/569838750.db2.gz QDUCXBKVUGVUNR-UKTHLTGXSA-N -1 0 469.564 5.584 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000051364653 569852232 /nfs/dbraw/zinc/85/22/32/569852232.db2.gz NRFRZXDBYPEBTQ-KWZJRMENSA-N -1 0 453.994 5.008 50 10 JKCARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1C ZINC000107173395 569856267 /nfs/dbraw/zinc/85/62/67/569856267.db2.gz XCBONKHCCRJMNW-MVERNJQCSA-N -1 0 474.582 5.629 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(c1ccccc1)c1ccccc1)N2 ZINC000217684551 569880984 /nfs/dbraw/zinc/88/09/84/569880984.db2.gz DRIKHERJCMUCBX-MRJKTFCFSA-N -1 0 452.554 5.177 50 10 JKCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)ccc1OCCc1ccccc1 ZINC000218341793 569883308 /nfs/dbraw/zinc/88/33/08/569883308.db2.gz ABGYELDQUXGGIL-UHFFFAOYSA-N -1 0 467.481 5.566 50 10 JKCARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)cc1 ZINC000230041143 570043881 /nfs/dbraw/zinc/04/38/81/570043881.db2.gz MKHNEAQWPHFKIP-QZNHQXDQSA-N -1 0 499.350 5.149 50 10 JKCARM COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000239433397 570052243 /nfs/dbraw/zinc/05/22/43/570052243.db2.gz XPYHNJCMMCIDAV-OFNKIYASSA-N -1 0 475.759 6.603 50 10 JKCARM COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000239433398 570052259 /nfs/dbraw/zinc/05/22/59/570052259.db2.gz XPYHNJCMMCIDAV-REWPJTCUSA-N -1 0 475.759 6.603 50 10 JKCARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O ZINC000245327713 570065343 /nfs/dbraw/zinc/06/53/43/570065343.db2.gz PROHNLRRZLTDRT-MQSCRBSSSA-N -1 0 499.350 5.149 50 10 JKCARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000248125574 570074865 /nfs/dbraw/zinc/07/48/65/570074865.db2.gz FRURLUHNWYGLDT-CYFREDJKSA-N -1 0 471.340 5.959 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252460012 570081152 /nfs/dbraw/zinc/08/11/52/570081152.db2.gz AWKYGGIXMIEMTC-FQEVSTJZSA-N -1 0 482.407 6.373 50 10 JKCARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000252460143 570081187 /nfs/dbraw/zinc/08/11/87/570081187.db2.gz BZZAOKJCSFWLTI-LJQANCHMSA-N -1 0 484.379 5.846 50 10 JKCARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000252460702 570081199 /nfs/dbraw/zinc/08/11/99/570081199.db2.gz HNMNNQWBCIPMFF-IBGZPJMESA-N -1 0 484.379 5.846 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000252462135 570081245 /nfs/dbraw/zinc/08/12/45/570081245.db2.gz QBSFJGZXEIFEEG-SFHVURJKSA-N -1 0 454.353 5.756 50 10 JKCARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000252461090 570081296 /nfs/dbraw/zinc/08/12/96/570081296.db2.gz KKKBUWYNHKPHSO-SFHVURJKSA-N -1 0 470.352 5.456 50 10 JKCARM CCN(Cc1ccccc1)c1ccc(N=Nc2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)cc1 ZINC000257347712 570152161 /nfs/dbraw/zinc/15/21/61/570152161.db2.gz RBSXUHSLINSOEF-UHFFFAOYSA-N -1 0 464.374 6.682 50 10 JKCARM CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000001129755 194038184 /nfs/dbraw/zinc/03/81/84/194038184.db2.gz MXGJBQOFUTVPEZ-YRNVUSSQSA-N -1 0 469.708 5.561 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001128129 194037492 /nfs/dbraw/zinc/03/74/92/194037492.db2.gz ZAWSMUHHJYHMBF-DJKKODMXSA-N -1 0 479.945 5.148 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000001131517 194039637 /nfs/dbraw/zinc/03/96/37/194039637.db2.gz PGDUVCCFUSYIGX-KGENOOAVSA-N -1 0 464.930 5.166 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000001134883 194041217 /nfs/dbraw/zinc/04/12/17/194041217.db2.gz ZXIFJBNKTARBHR-QGOAFFKASA-N -1 0 452.894 5.297 50 10 JKCARM Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000001140345 194044459 /nfs/dbraw/zinc/04/44/59/194044459.db2.gz DTGWGPWVNAIYEY-OEAKJJBVSA-N -1 0 469.541 5.809 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001240098 194078847 /nfs/dbraw/zinc/07/88/47/194078847.db2.gz LBKKALYYOIGFOO-XSFVSMFZSA-N -1 0 455.514 5.500 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000001240462 194078856 /nfs/dbraw/zinc/07/88/56/194078856.db2.gz OGFJVZRJSFMDMW-GZTJUZNOSA-N -1 0 457.338 6.233 50 10 JKCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001802016 194142826 /nfs/dbraw/zinc/14/28/26/194142826.db2.gz ODMAKYGGRUSZPS-FBKCMUNRSA-N -1 0 466.378 5.164 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001805122 194143379 /nfs/dbraw/zinc/14/33/79/194143379.db2.gz YISTWVWBROCIRX-SFQUDFHCSA-N -1 0 480.405 5.555 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000001805135 194143649 /nfs/dbraw/zinc/14/36/49/194143649.db2.gz UUHJUAHCLSCPCP-ZPWPBLDLSA-N -1 0 496.009 5.946 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000001805156 194143689 /nfs/dbraw/zinc/14/36/89/194143689.db2.gz REYBWBRZKCXMLY-RQRMZWKBSA-N -1 0 480.523 5.190 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001895109 194153399 /nfs/dbraw/zinc/15/33/99/194153399.db2.gz FMMHCRVDJPIDBV-RGEXLXHISA-N -1 0 483.640 5.447 50 10 JKCARM CCCCCCc1cc2c(cc1OCc1cc(C(=O)[O-])oc1C)oc(=O)cc2-c1ccccc1 ZINC000001902723 194154163 /nfs/dbraw/zinc/15/41/63/194154163.db2.gz VVWJROPOIVSXSJ-UHFFFAOYSA-N -1 0 460.526 6.761 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002936152 194174059 /nfs/dbraw/zinc/17/40/59/194174059.db2.gz KOTGBDYCXPNOBQ-GZTJUZNOSA-N -1 0 498.314 5.289 50 10 JKCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000002970607 194188396 /nfs/dbraw/zinc/18/83/96/194188396.db2.gz KNOFLZTWECXKSI-HYARGMPZSA-N -1 0 471.469 5.297 50 10 JKCARM Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])cc1C ZINC000002995863 194197887 /nfs/dbraw/zinc/19/78/87/194197887.db2.gz QEPBXANOHSBPHR-WOJGMQOQSA-N -1 0 499.401 5.518 50 10 JKCARM C[C@H]1CCCCN1c1cc(Nc2cccc(C(=O)[O-])c2)c2c3c1noc3-c1ccccc1C2=O ZINC000003742050 194359519 /nfs/dbraw/zinc/35/95/19/194359519.db2.gz FCGAQHSMQNWTOD-HNNXBMFYSA-N -1 0 453.498 5.860 50 10 JKCARM C[C@H]1C[C@H](C)CN(c2cc(Nc3ccccc3C(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742022 194359656 /nfs/dbraw/zinc/35/96/56/194359656.db2.gz HQQHYDSAYJUPSU-HOTGVXAUSA-N -1 0 467.525 5.963 50 10 JKCARM CC1(C)Cc2oc3ccc([N-]S(=O)(=O)c4cccc5c4C(=O)c4ccccc4C5=O)cc3c2C(=O)C1 ZINC000003878239 194366404 /nfs/dbraw/zinc/36/64/04/194366404.db2.gz ISRPLTUDABNUSK-UHFFFAOYSA-N -1 0 499.544 5.164 50 10 JKCARM CN(C)c1ccccc1NC(=O)C1=CC(=NNc2ccccc2S(=O)(=O)[O-])c2ccccc2C1=O ZINC000004044763 194372194 /nfs/dbraw/zinc/37/21/94/194372194.db2.gz UUZARGJVKYTFKQ-BYYHNAKLSA-N -1 0 490.541 5.526 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000004083453 194376208 /nfs/dbraw/zinc/37/62/08/194376208.db2.gz ONRYDAJABJERNQ-LFVJCYFKSA-N -1 0 499.954 5.876 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000004091846 194376911 /nfs/dbraw/zinc/37/69/11/194376911.db2.gz WALRFKXSRHEOTG-WSDLNYQXSA-N -1 0 473.891 5.149 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000004209055 194384598 /nfs/dbraw/zinc/38/45/98/194384598.db2.gz QZFXZDOUSFQWKC-LPYMAVHISA-N -1 0 474.488 5.537 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc5ccccc54)c4ccccc34)C2=O)cc1 ZINC000009076579 194522237 /nfs/dbraw/zinc/52/22/37/194522237.db2.gz ILDFCQUMNLWXOY-VEILYXNESA-N -1 0 499.570 6.072 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S ZINC000009884840 195013974 /nfs/dbraw/zinc/01/39/74/195013974.db2.gz LDZCRPXIBFTOBB-SFQUDFHCSA-N -1 0 469.506 5.812 50 10 JKCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S ZINC000009884829 195013986 /nfs/dbraw/zinc/01/39/86/195013986.db2.gz BYUIIWXCTADTRG-FSEGOYHTSA-N -1 0 466.378 5.082 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1 ZINC000009884871 195014006 /nfs/dbraw/zinc/01/40/06/195014006.db2.gz AHACRWOJRGTGSO-UKQGIEBLSA-N -1 0 493.562 5.150 50 10 JKCARM COc1ccccc1N1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000009933816 195025682 /nfs/dbraw/zinc/02/56/82/195025682.db2.gz TWLUTQMZRBJCEV-FOWTUZBSSA-N -1 0 470.959 5.764 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009934879 195027649 /nfs/dbraw/zinc/02/76/49/195027649.db2.gz DJCGTIHUFOKNBQ-BUVRLJJBSA-N -1 0 481.577 5.678 50 10 JKCARM COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000020764462 195220199 /nfs/dbraw/zinc/22/01/99/195220199.db2.gz JCCNFTQKAGJJIL-AZUAARDMSA-N -1 0 482.216 5.432 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000059194103 195394173 /nfs/dbraw/zinc/39/41/73/195394173.db2.gz TTWIAZKMXKVYJM-ODLFYWEKSA-N -1 0 469.324 5.042 50 10 JKCARM CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000016739972 518601565 /nfs/dbraw/zinc/60/15/65/518601565.db2.gz SKGCTQFMGWHXIQ-ZROIWOOFSA-N -1 0 478.184 5.750 50 10 JKCARM CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)c1 ZINC000008739165 520438787 /nfs/dbraw/zinc/43/87/87/520438787.db2.gz WYDVVOJDFHHFRM-QNGOZBTKSA-N -1 0 493.610 5.004 50 10 JKCARM CCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000033417270 520591012 /nfs/dbraw/zinc/59/10/12/520591012.db2.gz PAXALVRUZAXYST-WQLSENKSSA-N -1 0 479.714 5.017 50 10 JKCARM CCOc1cc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc(Cl)c1OCC(=O)[O-] ZINC000033293499 520627060 /nfs/dbraw/zinc/62/70/60/520627060.db2.gz ACGNBGCZLANJSP-RGVLZGJSSA-N -1 0 482.945 5.438 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1 ZINC000002302414 521033896 /nfs/dbraw/zinc/03/38/96/521033896.db2.gz TXYSPMMLYFXWEO-SFQUDFHCSA-N -1 0 497.916 5.579 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1 ZINC000001203604 521382673 /nfs/dbraw/zinc/38/26/73/521382673.db2.gz HXDDBSBIXIVUEG-LDADJPATSA-N -1 0 497.916 5.579 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000020168305 521410212 /nfs/dbraw/zinc/41/02/12/521410212.db2.gz WZBBVSIUHDLBJA-VKXWPSASSA-N -1 0 461.624 5.151 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000033384757 521459423 /nfs/dbraw/zinc/45/94/23/521459423.db2.gz FXQGWDGVUFWCBW-CPNJWEJPSA-N -1 0 464.861 5.283 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 ZINC000016266513 521459577 /nfs/dbraw/zinc/45/95/77/521459577.db2.gz HKRNMYQFGXXXJK-CPNJWEJPSA-N -1 0 478.888 5.279 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1 ZINC000012414308 521460404 /nfs/dbraw/zinc/46/04/04/521460404.db2.gz AHACRWOJRGTGSO-OKPNHQCWSA-N -1 0 493.562 5.150 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033332865 521945090 /nfs/dbraw/zinc/94/50/90/521945090.db2.gz LACCXZXZCISONE-WOJGMQOQSA-N -1 0 496.947 5.738 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1O ZINC000001149366 521945524 /nfs/dbraw/zinc/94/55/24/521945524.db2.gz MACJKKBRUHHLDU-UDWIEESQSA-N -1 0 478.888 5.140 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(F)c1 ZINC000001160580 521947123 /nfs/dbraw/zinc/94/71/23/521947123.db2.gz AUJVGAKMDJTVQG-RGVLZGJSSA-N -1 0 494.906 5.882 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc21 ZINC000012465010 521963639 /nfs/dbraw/zinc/96/36/39/521963639.db2.gz KRQQZXJBGQVLFJ-PCLIKHOPSA-N -1 0 492.531 5.402 50 10 JKCARM COc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)ccc1O ZINC000008765555 521973474 /nfs/dbraw/zinc/97/34/74/521973474.db2.gz REOKIHVDZHUAQI-CYVLTUHYSA-N -1 0 451.610 5.198 50 10 JKCARM COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C2=O)cc1 ZINC000001177577 522078530 /nfs/dbraw/zinc/07/85/30/522078530.db2.gz RJZFOQOKOFYSKG-XSFVSMFZSA-N -1 0 490.899 5.212 50 10 JKCARM CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1)c1ccccc1 ZINC000019823113 522088001 /nfs/dbraw/zinc/08/80/01/522088001.db2.gz CLBYOZYJQZJHLJ-UBUGFGJGSA-N -1 0 484.537 5.458 50 10 JKCARM CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc21)C(=O)[O-] ZINC000002090421 522314331 /nfs/dbraw/zinc/31/43/31/522314331.db2.gz BUOQBVVJGXVRDI-NSPYISDASA-N -1 0 466.317 5.187 50 10 biogenic JKCARM COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000033333424 522637858 /nfs/dbraw/zinc/63/78/58/522637858.db2.gz GRDBUNLKDCADJA-QRVIBDJDSA-N -1 0 469.566 5.195 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCc1ccccc1 ZINC000001153774 523408361 /nfs/dbraw/zinc/40/83/61/523408361.db2.gz CJTFONHZBRZOHO-HYARGMPZSA-N -1 0 456.498 5.398 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12 ZINC000033149481 523408845 /nfs/dbraw/zinc/40/88/45/523408845.db2.gz VJAMQFRXKVBVJF-RVDMUPIBSA-N -1 0 457.338 5.827 50 10 JKCARM COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=S)cc1 ZINC000006143098 523413683 /nfs/dbraw/zinc/41/36/83/523413683.db2.gz DUVRBANMOFOWHZ-HMMYKYKNSA-N -1 0 484.599 5.430 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OC)c1 ZINC000033417665 523416556 /nfs/dbraw/zinc/41/65/56/523416556.db2.gz ANKDJNMVANAZIG-BKUYFWCQSA-N -1 0 492.915 5.443 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000033316145 523417532 /nfs/dbraw/zinc/41/75/32/523417532.db2.gz VNBJYCGVTWDEEF-HMAPJEAMSA-N -1 0 472.497 5.098 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3C(C)C)C2=O)cc1 ZINC000002438383 523962238 /nfs/dbraw/zinc/96/22/38/523962238.db2.gz RSMNMIXWGXUVOX-HKOYGPOVSA-N -1 0 471.557 5.124 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000002259973 523962259 /nfs/dbraw/zinc/96/22/59/523962259.db2.gz PIICNPPYXWPRMP-CPNJWEJPSA-N -1 0 468.340 5.276 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1 ZINC000001161713 523963313 /nfs/dbraw/zinc/96/33/13/523963313.db2.gz FVFURKJOHOFILN-FYJGNVAPSA-N -1 0 488.500 5.080 50 10 JKCARM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1C ZINC000001147028 524062203 /nfs/dbraw/zinc/06/22/03/524062203.db2.gz HDEHUPZQRFLIMX-HYARGMPZSA-N -1 0 461.562 5.776 50 10 JKCARM Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009299690 524316724 /nfs/dbraw/zinc/31/67/24/524316724.db2.gz VWUQXEIOCUXGFG-XQNSMLJCSA-N -1 0 490.943 5.081 50 10 JKCARM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000033350871 524492377 /nfs/dbraw/zinc/49/23/77/524492377.db2.gz XMPKANNDDJYGIC-OEAKJJBVSA-N -1 0 453.473 5.644 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 ZINC000001199463 524533094 /nfs/dbraw/zinc/53/30/94/524533094.db2.gz KNWJRGTUTVAADY-GZTJUZNOSA-N -1 0 451.822 5.323 50 10 JKCARM Cc1cc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1Cl ZINC000033572089 525371892 /nfs/dbraw/zinc/37/18/92/525371892.db2.gz YZCQOEFFGVOIJI-QNGOZBTKSA-N -1 0 483.351 5.221 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000001185778 525743000 /nfs/dbraw/zinc/74/30/00/525743000.db2.gz BOIYXTRLTYIFEF-GZTJUZNOSA-N -1 0 496.273 5.432 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccn1 ZINC000016267085 526087299 /nfs/dbraw/zinc/08/72/99/526087299.db2.gz FCHLKQPJFIPFPQ-RVDMUPIBSA-N -1 0 455.301 5.303 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000026771458 526316308 /nfs/dbraw/zinc/31/63/08/526316308.db2.gz UUHJUAHCLSCPCP-AMUNLKFJSA-N -1 0 496.009 5.946 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000001150523 526940496 /nfs/dbraw/zinc/94/04/96/526940496.db2.gz MURYFVBWENEDTA-XNTDXEJSSA-N -1 0 471.853 5.319 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001205470 526944465 /nfs/dbraw/zinc/94/44/65/526944465.db2.gz SVMDQAFKIHAHFV-BOPFTXTBSA-N -1 0 498.314 5.289 50 10 JKCARM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])SC(=S)N1Cc1ccccc1 ZINC000015011473 526944852 /nfs/dbraw/zinc/94/48/52/526944852.db2.gz ZBQFVRZXQSTNQR-VGOFMYFVSA-N -1 0 485.222 5.319 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001206778 526946673 /nfs/dbraw/zinc/94/66/73/526946673.db2.gz KMVXXOHLFUWTHN-WJDWOHSUSA-N -1 0 498.314 5.289 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000033336070 526947452 /nfs/dbraw/zinc/94/74/52/526947452.db2.gz YGOHLBPJXLJAON-UQQQWYQISA-N -1 0 487.584 6.514 50 10 JKCARM O=C1[N-]C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccccc12 ZINC000033305850 527045640 /nfs/dbraw/zinc/04/56/40/527045640.db2.gz KYARCGBHCLQTBP-HMMYKYKNSA-N -1 0 461.493 5.104 50 10 JKCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c-2cc1O ZINC000016225919 527483839 /nfs/dbraw/zinc/48/38/39/527483839.db2.gz VEZAXGNYFRFACI-UHFFFAOYSA-N -1 0 471.421 5.169 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000008763333 527579031 /nfs/dbraw/zinc/57/90/31/527579031.db2.gz MOMDPFNTIUDLCP-ZHZULCJRSA-N -1 0 476.019 5.765 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000000661077 553739491 /nfs/dbraw/zinc/73/94/91/553739491.db2.gz RFJHDQHKBOYYMP-SFQUDFHCSA-N -1 0 457.001 5.384 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000853303 553799165 /nfs/dbraw/zinc/79/91/65/553799165.db2.gz GXVMPUJIBZIQDX-IWIPYMOSSA-N -1 0 453.473 5.053 50 10 JKCARM CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1C ZINC000001150270 553916713 /nfs/dbraw/zinc/91/67/13/553916713.db2.gz WDFUAMNGUJSUBL-XDHOZWIPSA-N -1 0 482.367 5.630 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000001178931 553928043 /nfs/dbraw/zinc/92/80/43/553928043.db2.gz KAHHZCFDFHUWPD-UDWIEESQSA-N -1 0 466.852 5.270 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000002156399 554072529 /nfs/dbraw/zinc/07/25/29/554072529.db2.gz NDIDJYXJNALHID-XSFVSMFZSA-N -1 0 451.935 5.201 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002224428 554102461 /nfs/dbraw/zinc/10/24/61/554102461.db2.gz YAAIXBUPQCMUCI-BKUYFWCQSA-N -1 0 473.891 5.149 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000002235323 554107193 /nfs/dbraw/zinc/10/71/93/554107193.db2.gz WGHSYYILDCYTAB-LPYMAVHISA-N -1 0 473.891 5.989 50 10 JKCARM CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000002247861 554112698 /nfs/dbraw/zinc/11/26/98/554112698.db2.gz BJXREQNCQNSEDX-MOSHPQCFSA-N -1 0 495.651 5.327 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000002252084 554116051 /nfs/dbraw/zinc/11/60/51/554116051.db2.gz ITQIAKZNBUMMCO-LICLKQGHSA-N -1 0 461.688 5.573 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1Cc1ccc(Cl)c(Cl)c1 ZINC000002259151 554120752 /nfs/dbraw/zinc/12/07/52/554120752.db2.gz VSWGDWWOHWAIEW-GZTJUZNOSA-N -1 0 458.276 5.489 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)o2)c(Br)c1 ZINC000002308588 554142826 /nfs/dbraw/zinc/14/28/26/554142826.db2.gz WWNAYVQTJRPARH-XDHOZWIPSA-N -1 0 479.330 5.301 50 10 JKCARM Cc1cccc(Cn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 ZINC000002332645 554152041 /nfs/dbraw/zinc/15/20/41/554152041.db2.gz PKNAFMZYSLUGPX-UCQKPKSFSA-N -1 0 469.928 5.318 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000002358969 554164834 /nfs/dbraw/zinc/16/48/34/554164834.db2.gz FEFDUCJCJUVZHE-NBVRZTHBSA-N -1 0 457.942 6.160 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000002361216 554165927 /nfs/dbraw/zinc/16/59/27/554165927.db2.gz QGNZSVZJCSFFAQ-LICLKQGHSA-N -1 0 488.758 5.676 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002369278 554169348 /nfs/dbraw/zinc/16/93/48/554169348.db2.gz AUSRIVMYUWEDRQ-KGENOOAVSA-N -1 0 475.907 5.549 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002397190 554183597 /nfs/dbraw/zinc/18/35/97/554183597.db2.gz AWAZCGHNACTTLU-IWIPYMOSSA-N -1 0 457.599 6.198 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000002399087 554184673 /nfs/dbraw/zinc/18/46/73/554184673.db2.gz WKJPCAZMIRZLGY-PXLXIMEGSA-N -1 0 488.012 5.883 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000002403412 554187208 /nfs/dbraw/zinc/18/72/08/554187208.db2.gz NYCYSEKHWVVVRS-MTJSOVHGSA-N -1 0 461.949 5.544 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4Cl)cc3)C2=O)c(C)c1 ZINC000002443468 554211072 /nfs/dbraw/zinc/21/10/72/554211072.db2.gz PGMRVCOOQREEPV-KGENOOAVSA-N -1 0 460.917 6.043 50 10 JKCARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1F ZINC000002533075 554233235 /nfs/dbraw/zinc/23/32/35/554233235.db2.gz XXUURAUUYKPZNZ-MOSHPQCFSA-N -1 0 481.574 5.053 50 10 JKCARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Sc3ccccc3)c(O)c3ccccc23)c1 ZINC000002685407 554282672 /nfs/dbraw/zinc/28/26/72/554282672.db2.gz XRWVMQMLFIRWMU-UHFFFAOYSA-N -1 0 467.568 5.515 50 10 JKCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002813996 554361850 /nfs/dbraw/zinc/36/18/50/554361850.db2.gz KOAGWAFGZQMLHD-LICLKQGHSA-N -1 0 488.308 5.833 50 10 JKCARM CCOC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000002827832 554367065 /nfs/dbraw/zinc/36/70/65/554367065.db2.gz NVXDSRYRJPNFMB-XNTDXEJSSA-N -1 0 486.311 5.018 50 10 JKCARM CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1Br ZINC000002828808 554367325 /nfs/dbraw/zinc/36/73/25/554367325.db2.gz ZAZRASAFHIJPME-RQZCQDPDSA-N -1 0 478.389 5.340 50 10 JKCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000002982498 554418055 /nfs/dbraw/zinc/41/80/55/554418055.db2.gz HIQRZYUCPXINKI-XSFVSMFZSA-N -1 0 462.889 5.434 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4cccc(F)c4)c3)C2=O)cc1Cl ZINC000006859709 554558987 /nfs/dbraw/zinc/55/89/87/554558987.db2.gz VEGMFMZYDSSACL-MTJSOVHGSA-N -1 0 464.880 5.033 50 10 JKCARM N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000008411388 554577488 /nfs/dbraw/zinc/57/74/88/554577488.db2.gz QRYKOORWKZWDHY-AYMKESMHSA-N -1 0 475.401 5.535 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1Cl ZINC000008738154 554639813 /nfs/dbraw/zinc/63/98/13/554639813.db2.gz ILRNIMWSJPPBCF-UCQKPKSFSA-N -1 0 499.954 6.416 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000008739097 554640914 /nfs/dbraw/zinc/64/09/14/554640914.db2.gz MRQYBNCCGNADLD-WOJGMQOQSA-N -1 0 470.312 5.359 50 10 JKCARM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(=O)[N-]C2=S)cc1 ZINC000008741414 554643718 /nfs/dbraw/zinc/64/37/18/554643718.db2.gz STFBUSVLPOMWNS-HZHRSRAPSA-N -1 0 487.581 5.115 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)c1 ZINC000008743634 554646654 /nfs/dbraw/zinc/64/66/54/554646654.db2.gz RDRYAZNCNPMMPG-ZVHZXABRSA-N -1 0 467.500 5.952 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000008743593 554646663 /nfs/dbraw/zinc/64/66/63/554646663.db2.gz NIAAKOGAXDWTPT-WJDWOHSUSA-N -1 0 467.821 5.024 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1 ZINC000008766815 554667354 /nfs/dbraw/zinc/66/73/54/554667354.db2.gz QBILDHIFTHDTGC-GZTJUZNOSA-N -1 0 485.721 6.178 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008818966 554703266 /nfs/dbraw/zinc/70/32/66/554703266.db2.gz NRFRZXDBYPEBTQ-KNGSKEOJSA-N -1 0 453.994 5.008 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000008818971 554703327 /nfs/dbraw/zinc/70/33/27/554703327.db2.gz VUFFAYZFIFCMNN-BRYYZUPOSA-N -1 0 488.439 5.661 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000008818999 554703482 /nfs/dbraw/zinc/70/34/82/554703482.db2.gz UHTFXCLZVIHQGO-RQRMZWKBSA-N -1 0 480.523 5.190 50 10 JKCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000008833890 554731444 /nfs/dbraw/zinc/73/14/44/554731444.db2.gz AXPQLTSJOAIRBV-SBNBMVPLSA-N -1 0 456.372 5.564 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000008843027 554740268 /nfs/dbraw/zinc/74/02/68/554740268.db2.gz OFBSSUNXGBNOHZ-WQRHYEAKSA-N -1 0 465.849 5.321 50 10 JKCARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)c1 ZINC000008871912 554767837 /nfs/dbraw/zinc/76/78/37/554767837.db2.gz YYMPGROLZMJWSX-UHFFFAOYSA-N -1 0 486.505 5.780 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000008914345 554807324 /nfs/dbraw/zinc/80/73/24/554807324.db2.gz ZZEYIWWPYLNNJD-IWIPYMOSSA-N -1 0 465.509 5.513 50 10 JKCARM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000008919687 554816545 /nfs/dbraw/zinc/81/65/45/554816545.db2.gz FYBLDXNUJIOTPI-YPMLDQLKSA-N -1 0 483.859 6.840 50 10 JKCARM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000008919885 554816722 /nfs/dbraw/zinc/81/67/22/554816722.db2.gz IVWULXATDPVHCT-XTZNXHDOSA-N -1 0 483.859 6.840 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000008984729 554848681 /nfs/dbraw/zinc/84/86/81/554848681.db2.gz DMROIIMGDMCNPV-GGMSWHNTSA-N -1 0 498.579 5.633 50 10 JKCARM CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000008997651 554859149 /nfs/dbraw/zinc/85/91/49/554859149.db2.gz SANIQQFTPAHRDJ-HZHRSRAPSA-N -1 0 487.581 5.251 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1 ZINC000009076557 554887871 /nfs/dbraw/zinc/88/78/71/554887871.db2.gz SRCZHGKNTYNZNA-SVTVQYSDSA-N -1 0 455.558 5.582 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 ZINC000009076611 554888167 /nfs/dbraw/zinc/88/81/67/554888167.db2.gz BREAUOGVGZBHEZ-WZGIJCTISA-N -1 0 469.585 5.891 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000009089692 554890458 /nfs/dbraw/zinc/89/04/58/554890458.db2.gz MGHXCUDKQXGFSY-KEBDBYFISA-N -1 0 494.334 5.456 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009111528 554899079 /nfs/dbraw/zinc/89/90/79/554899079.db2.gz KAPZRWCMEXCNBE-HZHRSRAPSA-N -1 0 488.012 5.124 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000009113242 554900456 /nfs/dbraw/zinc/90/04/56/554900456.db2.gz GNGZKGMLDBTATL-VXCWRXKNSA-N -1 0 486.568 5.128 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 ZINC000009136238 554932653 /nfs/dbraw/zinc/93/26/53/554932653.db2.gz GKQPHMURFYLFAS-JTMDUIFQSA-N -1 0 493.357 6.729 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000009170597 554953453 /nfs/dbraw/zinc/95/34/53/554953453.db2.gz AODAHHZPIIFZNT-ZFMLPXDISA-N -1 0 496.394 6.863 50 10 JKCARM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(CSc2ccccn2)[n-]n1-c1ccccc1 ZINC000009235369 555009588 /nfs/dbraw/zinc/00/95/88/555009588.db2.gz CXTXLHHWKAKIJV-BYYHNAKLSA-N -1 0 455.465 6.699 50 10 JKCARM COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1Br ZINC000009262092 555036865 /nfs/dbraw/zinc/03/68/65/555036865.db2.gz JJJLOYFNBHZNGD-BOPFTXTBSA-N -1 0 492.325 5.333 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)[N-]C2=S)cc1 ZINC000009295815 555072080 /nfs/dbraw/zinc/07/20/80/555072080.db2.gz HTSIAYXJPZYSEK-LDADJPATSA-N -1 0 481.371 5.157 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000009307124 555079784 /nfs/dbraw/zinc/07/97/84/555079784.db2.gz YOZIMMQNEQIEMH-HZHRSRAPSA-N -1 0 465.578 5.138 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000009311429 555087788 /nfs/dbraw/zinc/08/77/88/555087788.db2.gz PPLYAMBRVPONNA-UNOMPAQXSA-N -1 0 486.435 5.122 50 10 JKCARM CCc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000009311778 555088340 /nfs/dbraw/zinc/08/83/40/555088340.db2.gz IWMXFGLZUUADSO-XYGWBWBKSA-N -1 0 479.605 5.392 50 10 biogenic JKCARM O=C([O-])c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)c1 ZINC000009334795 555102290 /nfs/dbraw/zinc/10/22/90/555102290.db2.gz FFTWFEQWIQNYIK-YVLHZVERSA-N -1 0 495.240 6.300 50 10 JKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000009348316 555114695 /nfs/dbraw/zinc/11/46/95/555114695.db2.gz JFPHNRQUQCPKSL-UNOMPAQXSA-N -1 0 451.276 5.213 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009424855 555189627 /nfs/dbraw/zinc/18/96/27/555189627.db2.gz MHRYRUSQFGKDPJ-JAIQZWGSSA-N -1 0 468.340 5.376 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000009427769 555193032 /nfs/dbraw/zinc/19/30/32/555193032.db2.gz ZZWMBDDHFVCXGS-XWCAUFEOSA-N -1 0 459.458 5.035 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 ZINC000009428618 555194513 /nfs/dbraw/zinc/19/45/13/555194513.db2.gz GKQPHMURFYLFAS-XWCAUFEOSA-N -1 0 493.357 5.889 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000009434972 555205954 /nfs/dbraw/zinc/20/59/54/555205954.db2.gz NYTKPASAJDWKCA-WPGBELRESA-N -1 0 490.943 5.545 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 ZINC000009477318 555258205 /nfs/dbraw/zinc/25/82/05/555258205.db2.gz UOKRPVDFBNPKHR-ONUIUJJFSA-N -1 0 463.537 5.476 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1 ZINC000009477472 555258417 /nfs/dbraw/zinc/25/84/17/555258417.db2.gz MFZIPPVXDOBBAI-GGMUZDTOSA-N -1 0 471.557 5.283 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1 ZINC000009477474 555258439 /nfs/dbraw/zinc/25/84/39/555258439.db2.gz MFZIPPVXDOBBAI-WZGIJCTISA-N -1 0 471.557 5.283 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000009680440 555408234 /nfs/dbraw/zinc/40/82/34/555408234.db2.gz NICPBRIZSIISEM-HYARGMPZSA-N -1 0 453.473 5.331 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000013549148 555490812 /nfs/dbraw/zinc/49/08/12/555490812.db2.gz QQEIQJQVZRSCJE-DEDYPNTBSA-N -1 0 470.367 5.039 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000009805600 555517824 /nfs/dbraw/zinc/51/78/24/555517824.db2.gz TZJJUQNEEKXQKR-UDWIEESQSA-N -1 0 483.351 5.433 50 10 JKCARM Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000009805842 555518035 /nfs/dbraw/zinc/51/80/35/555518035.db2.gz OSMCVHAXQFEUDY-OEAKJJBVSA-N -1 0 483.568 5.277 50 10 JKCARM Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc2n1Cc1cccc(C)c1 ZINC000009836739 555542017 /nfs/dbraw/zinc/54/20/17/555542017.db2.gz KEQABEYPQONWTG-XYGWBWBKSA-N -1 0 463.537 5.281 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1C1CCCCC1 ZINC000009849782 555552034 /nfs/dbraw/zinc/55/20/34/555552034.db2.gz QKJHLDARGWMSFG-WOJGMQOQSA-N -1 0 459.974 5.234 50 10 JKCARM Cc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013686449 555579952 /nfs/dbraw/zinc/57/99/52/555579952.db2.gz GJVDOVXLMWBWDY-KQWNVCNZSA-N -1 0 483.499 5.675 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1 ZINC000013686660 555580294 /nfs/dbraw/zinc/58/02/94/555580294.db2.gz JYWHQWHNQHFLOC-GRVPHDJPSA-N -1 0 472.497 5.753 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc([C@@H](C)CC)cc4)C3=O)o2)cc1 ZINC000013687847 555581181 /nfs/dbraw/zinc/58/11/81/555581181.db2.gz UYAYEWVCXVVTNE-HEQHKCQXSA-N -1 0 486.524 5.303 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc4ccccc43)C2=O)cc1Cl ZINC000013688546 555581960 /nfs/dbraw/zinc/58/19/60/555581960.db2.gz XFGFRZCWEVXMNT-HMAPJEAMSA-N -1 0 485.927 5.018 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1Cl ZINC000013688843 555582302 /nfs/dbraw/zinc/58/23/02/555582302.db2.gz HCTWRARSXGPDLD-WJDWOHSUSA-N -1 0 489.336 5.413 50 10 JKCARM CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(OC)c(Cl)c4)C3=O)c2C)cc1 ZINC000013689410 555582802 /nfs/dbraw/zinc/58/28/02/555582802.db2.gz OKUFTHXQPWKROZ-BKUYFWCQSA-N -1 0 477.948 5.825 50 10 JKCARM Cc1cc(C)cc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000013689549 555583210 /nfs/dbraw/zinc/58/32/10/555583210.db2.gz MREKUPYVDVYYRL-IWIPYMOSSA-N -1 0 483.524 5.432 50 10 JKCARM O=C(Nc1ccc(Nc2cc([N+](=O)[O-])ccc2[O-])c2c1C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000020027312 555603536 /nfs/dbraw/zinc/60/35/36/555603536.db2.gz KMXGXKBYTYRGHG-UHFFFAOYSA-N -1 0 479.448 5.072 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 ZINC000013809989 555624755 /nfs/dbraw/zinc/62/47/55/555624755.db2.gz MITWCYFIHNSDAD-BOPFTXTBSA-N -1 0 455.297 6.377 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000013810584 555625874 /nfs/dbraw/zinc/62/58/74/555625874.db2.gz GXVMPUJIBZIQDX-BUVRLJJBSA-N -1 0 453.473 5.893 50 10 JKCARM Cc1[nH]c2ccccc2c1[C@@H](c1cc(Br)cc(Br)c1[O-])N1CCOCC1 ZINC000020069239 555626315 /nfs/dbraw/zinc/62/63/15/555626315.db2.gz MHYGAXGUKZCGEG-LJQANCHMSA-N -1 0 480.200 5.129 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013810889 555626493 /nfs/dbraw/zinc/62/64/93/555626493.db2.gz DWROTSDKPAMJAG-SVFBPWRDSA-N -1 0 489.742 5.404 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc21 ZINC000013893728 555641497 /nfs/dbraw/zinc/64/14/97/555641497.db2.gz JUPXGPOKQXXZME-BUVRLJJBSA-N -1 0 498.966 5.932 50 10 JKCARM Cc1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2)cc1 ZINC000013940019 555649893 /nfs/dbraw/zinc/64/98/93/555649893.db2.gz KMTDKSSOPNJUCO-JJIBRWJFSA-N -1 0 456.498 5.268 50 10 JKCARM COc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013943659 555654759 /nfs/dbraw/zinc/65/47/59/555654759.db2.gz DHRVRCUAVJXZBR-XLNRJJMWSA-N -1 0 487.556 5.364 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000013943954 555655317 /nfs/dbraw/zinc/65/53/17/555655317.db2.gz NYTKPASAJDWKCA-JVDNRXPZSA-N -1 0 490.943 5.545 50 10 JKCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S ZINC000010232842 555657457 /nfs/dbraw/zinc/65/74/57/555657457.db2.gz BYUIIWXCTADTRG-SLVCOGOPSA-N -1 0 466.378 5.082 50 10 JKCARM CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000020192383 555693214 /nfs/dbraw/zinc/69/32/14/555693214.db2.gz AYGXALWKXGIUSR-HAHDFKILSA-N -1 0 487.581 5.115 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1Cl ZINC000020210193 555702774 /nfs/dbraw/zinc/70/27/74/555702774.db2.gz HSHZYQGRSBSHLV-YBEGLDIGSA-N -1 0 471.256 5.199 50 10 JKCARM CCOc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000020210211 555702832 /nfs/dbraw/zinc/70/28/32/555702832.db2.gz VWUQYLZUHHAATF-ZHZULCJRSA-N -1 0 480.318 5.145 50 10 JKCARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)cc1 ZINC000014166026 555718728 /nfs/dbraw/zinc/71/87/28/555718728.db2.gz MKHLHZXTUGWPHE-DPLHUUCSSA-N -1 0 480.973 5.666 50 10 JKCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N([C@@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238472 555732239 /nfs/dbraw/zinc/73/22/39/555732239.db2.gz UAEKVZIWBMOOLX-HYTQYMIGSA-N -1 0 475.457 5.317 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5ccccc54)o3)C2=O)cc1 ZINC000020238547 555732265 /nfs/dbraw/zinc/73/22/65/555732265.db2.gz NPFDOYLVVZOOMW-JWGURIENSA-N -1 0 468.534 6.653 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1Cl ZINC000020238580 555732492 /nfs/dbraw/zinc/73/24/92/555732492.db2.gz HFLOJLGOZDKVAV-WQRHYEAKSA-N -1 0 465.849 5.632 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000020573129 555824932 /nfs/dbraw/zinc/82/49/32/555824932.db2.gz PMEJTYIMDWFGBO-NXHRZFHOSA-N -1 0 461.624 5.462 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000022288826 555917913 /nfs/dbraw/zinc/91/79/13/555917913.db2.gz IGVBZUVSYDXTSI-AQTBWJFISA-N -1 0 467.308 5.239 50 10 JKCARM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(c4ccc(OC)cc4)CC3)c([O-])n2n1 ZINC000022854982 555962080 /nfs/dbraw/zinc/96/20/80/555962080.db2.gz GCZQPUHYCXXNEL-DEOSSOPVSA-N -1 0 491.661 5.102 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2 ZINC000012375064 555962136 /nfs/dbraw/zinc/96/21/36/555962136.db2.gz AGLJHKDQSANDEZ-LZJOCLMNSA-N -1 0 498.423 5.755 50 10 JKCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OC ZINC000015768630 555987032 /nfs/dbraw/zinc/98/70/32/555987032.db2.gz CTSDWYUWGCNPSK-MDWZMJQESA-N -1 0 468.815 5.273 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccccc1F ZINC000015799649 556007747 /nfs/dbraw/zinc/00/77/47/556007747.db2.gz ZHWWIZZJZGAGFI-GHRIWEEISA-N -1 0 450.466 5.215 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O ZINC000015837649 556021360 /nfs/dbraw/zinc/02/13/60/556021360.db2.gz YWRRKPARIFOTMB-UDWIEESQSA-N -1 0 492.915 5.530 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000015932694 556071478 /nfs/dbraw/zinc/07/14/78/556071478.db2.gz VEPDIDYFRAJPLN-VCHYOVAHSA-N -1 0 472.303 5.206 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000017057060 556214446 /nfs/dbraw/zinc/21/44/46/556214446.db2.gz ORHKKGCWIBBNSZ-RZKQZQCBSA-N -1 0 496.394 6.228 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1 ZINC000017113115 556217964 /nfs/dbraw/zinc/21/79/64/556217964.db2.gz MAKIVDPWOJGXTG-HINJULBWSA-N -1 0 461.949 6.210 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025559510 556220847 /nfs/dbraw/zinc/22/08/47/556220847.db2.gz ASRBWMHHDHHJKG-DENIHFKCSA-N -1 0 490.184 6.704 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3cccs3)=NN21 ZINC000025559518 556220948 /nfs/dbraw/zinc/22/09/48/556220948.db2.gz OZLCZIAAFKXVTM-OXJNMPFZSA-N -1 0 451.762 6.656 50 10 JKCARM CCOc1ccc(C2=C(C=C3C(=O)[N-]C(=O)NC3=O)[C@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000017159874 556229400 /nfs/dbraw/zinc/22/94/00/556229400.db2.gz YFNYMLOMSAJRTR-RUZDIDTESA-N -1 0 480.520 5.462 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1 ZINC000017167226 556230328 /nfs/dbraw/zinc/23/03/28/556230328.db2.gz ZOPVVNIAMATOKS-WNFQYIGGSA-N -1 0 497.912 5.572 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000017179817 556234473 /nfs/dbraw/zinc/23/44/73/556234473.db2.gz VDIUBQKNWNBVBW-GZTJUZNOSA-N -1 0 498.314 5.289 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000013074868 556275826 /nfs/dbraw/zinc/27/58/26/556275826.db2.gz HBTLACYQTVCBGB-IAFWPLRWSA-N -1 0 494.550 5.060 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000013092532 556286455 /nfs/dbraw/zinc/28/64/55/556286455.db2.gz WXXKUXBYPDFMKT-XSFVSMFZSA-N -1 0 476.019 5.765 50 10 JKCARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3CCN(C)CC3)c2oc1C(F)(F)F ZINC000019691349 556360201 /nfs/dbraw/zinc/36/02/01/556360201.db2.gz QZDLONAMQBKGMT-UHFFFAOYSA-N -1 0 476.495 5.181 50 10 JKCARM COCCN(CCOC)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21 ZINC000019791752 556370684 /nfs/dbraw/zinc/37/06/84/556370684.db2.gz MAYGRIBVTYGAAV-UHFFFAOYSA-N -1 0 495.494 5.021 50 10 biogenic JKCARM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019791549 556370690 /nfs/dbraw/zinc/37/06/90/556370690.db2.gz XZUWPKSJPCCULQ-HUUCEWRRSA-N -1 0 463.452 5.227 50 10 biogenic JKCARM CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@H](C)O[C@@H](C)C3)c2oc1C(F)(F)F ZINC000019793162 556372553 /nfs/dbraw/zinc/37/25/53/556372553.db2.gz QSIZQPJHUOIPMR-GJZGRUSLSA-N -1 0 493.478 5.318 50 10 JKCARM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793131 556372681 /nfs/dbraw/zinc/37/26/81/556372681.db2.gz NPFRDHZCEKVJIL-HZPDHXFCSA-N -1 0 477.479 5.536 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000032694357 556471793 /nfs/dbraw/zinc/47/17/93/556471793.db2.gz LSNKMTWKMCQLGI-AMUNLKFJSA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000032694366 556472066 /nfs/dbraw/zinc/47/20/66/556472066.db2.gz NFNCRYJJVRVYMC-QJUACMODSA-N -1 0 496.009 5.946 50 10 JKCARM O=c1c2ccc([O-])c(CN(Cc3ccccc3)Cc3ccccc3)c2occ1-c1ccccc1Cl ZINC000054219551 569589513 /nfs/dbraw/zinc/58/95/13/569589513.db2.gz UIRZBUXIASQPOM-UHFFFAOYSA-N -1 0 481.979 7.021 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000008453145 569591278 /nfs/dbraw/zinc/59/12/78/569591278.db2.gz POHNENBLGSETJP-HAVVHWLPSA-N -1 0 492.959 5.048 50 10 JKCARM CCOC(=O)C(=C(C)Nc1ccc(C)cc1)c1c(O)cc(Br)c([O-])c1Br ZINC000008453897 569591326 /nfs/dbraw/zinc/59/13/26/569591326.db2.gz DVTFUOQVDJMFBT-PTNGSMBKSA-N -1 0 485.172 5.337 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455347 569591543 /nfs/dbraw/zinc/59/15/43/569591543.db2.gz QDPCATIORLNJPG-KSCDAYEDSA-N -1 0 489.678 6.220 50 10 JKCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCCCCCCCCC2 ZINC000008455470 569591678 /nfs/dbraw/zinc/59/16/78/569591678.db2.gz NVYIPSZLOYKJNT-KSCDAYEDSA-N -1 0 491.650 5.351 50 10 JKCARM CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1 ZINC000008695496 569593505 /nfs/dbraw/zinc/59/35/05/569593505.db2.gz BSQPANPUPZHEJK-SFQUDFHCSA-N -1 0 474.464 5.124 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000008735646 569601988 /nfs/dbraw/zinc/60/19/88/569601988.db2.gz HSSJGOYABIOKSH-FSEGOYHTSA-N -1 0 488.439 5.661 50 10 JKCARM O=C1/C(=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])SC(=S)N1c1cccc(Cl)c1 ZINC000059514495 569606523 /nfs/dbraw/zinc/60/65/23/569606523.db2.gz KCDDEXRGQZENQZ-WLRTZDKTSA-N -1 0 471.741 5.122 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000062621044 569613388 /nfs/dbraw/zinc/61/33/88/569613388.db2.gz TTWIAZKMXKVYJM-YBFXNURJSA-N -1 0 469.324 5.042 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000033778681 569634563 /nfs/dbraw/zinc/63/45/63/569634563.db2.gz BSHHKUWCFQGRGI-XDHOZWIPSA-N -1 0 467.953 5.867 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000033907450 569637303 /nfs/dbraw/zinc/63/73/03/569637303.db2.gz CPLCMKOOUAPOOJ-SDQBBNPISA-N -1 0 495.185 5.909 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1 ZINC000034139163 569639695 /nfs/dbraw/zinc/63/96/95/569639695.db2.gz BBQRBOIMSKMFFO-PGMHBOJBSA-N -1 0 478.460 6.024 50 10 in-vitro JKCARM CCOc1cc(OCC)c(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1Br ZINC000083299378 569708335 /nfs/dbraw/zinc/70/83/35/569708335.db2.gz KTEPEGCXCOPYRU-GDNBJRDFSA-N -1 0 489.391 5.227 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC ZINC000085877334 569716141 /nfs/dbraw/zinc/71/61/41/569716141.db2.gz KMWUJKVGYUJROC-UHFFFAOYSA-N -1 0 489.528 5.615 50 10 biogenic JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O ZINC000085879926 569716521 /nfs/dbraw/zinc/71/65/21/569716521.db2.gz FQGVRCVFUHYMRZ-UHFFFAOYSA-N -1 0 489.528 5.702 50 10 biogenic JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000035898103 569723395 /nfs/dbraw/zinc/72/33/95/569723395.db2.gz WZBBVSIUHDLBJA-XMMNMGKXSA-N -1 0 461.624 5.151 50 10 JKCARM O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccc(OC(F)F)c3)c12 ZINC000095473047 569723793 /nfs/dbraw/zinc/72/37/93/569723793.db2.gz QRUIXBZJMKLFIO-UHFFFAOYSA-N -1 0 467.428 5.831 50 10 JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(F)F ZINC000095477748 569724308 /nfs/dbraw/zinc/72/43/08/569724308.db2.gz MEAAYALSLCUFOD-UHFFFAOYSA-N -1 0 471.416 5.305 50 10 JKCARM CC(C)n1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cn1 ZINC000095477167 569724393 /nfs/dbraw/zinc/72/43/93/569724393.db2.gz IZYXPBLKYJTVSH-UHFFFAOYSA-N -1 0 461.522 5.787 50 10 JKCARM CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096114022 569732992 /nfs/dbraw/zinc/73/29/92/569732992.db2.gz PRSMVNCLGBKJCN-KRWDZBQOSA-N -1 0 458.466 5.099 50 10 biogenic JKCARM Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccc(S(=O)(=O)[O-])cc2C3=O)cc1 ZINC000096592323 569742061 /nfs/dbraw/zinc/74/20/61/569742061.db2.gz IMHOVVPAYJINAB-UHFFFAOYSA-N -1 0 498.560 5.813 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)o2)SC1=S ZINC000098086563 569750376 /nfs/dbraw/zinc/75/03/76/569750376.db2.gz GRBJQCDPUBSJIF-ATVHPVEESA-N -1 0 480.405 5.555 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1 ZINC000098086513 569750420 /nfs/dbraw/zinc/75/04/20/569750420.db2.gz JHOBSPDPCRJKKN-JMIUGGIZSA-N -1 0 488.348 6.497 50 10 JKCARM CC(=Nc1ccc(Cl)c(Cl)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094527 569752889 /nfs/dbraw/zinc/75/28/89/569752889.db2.gz GVCNBAPJHYSHPU-DHDCSXOGSA-N -1 0 471.291 6.254 50 10 JKCARM CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000100147852 569753906 /nfs/dbraw/zinc/75/39/06/569753906.db2.gz NPGQOFQGSKDQLW-CAOOACKPSA-N -1 0 486.163 5.877 50 10 JKCARM CCOC(=O)c1c(-c2cccs2)csc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O ZINC000100209372 569755476 /nfs/dbraw/zinc/75/54/76/569755476.db2.gz RHXHYKYYMFFEBG-SFQUDFHCSA-N -1 0 451.573 5.680 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000100506240 569763087 /nfs/dbraw/zinc/76/30/87/569763087.db2.gz GTMJERUWIUFJHV-LYEHBBOLSA-N -1 0 479.565 6.225 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(O)cc1 ZINC000100506100 569763108 /nfs/dbraw/zinc/76/31/08/569763108.db2.gz QOYQMJIIRBDMDK-DUPNKOKHSA-N -1 0 456.325 5.153 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc2ccccc2c1 ZINC000100525105 569763593 /nfs/dbraw/zinc/76/35/93/569763593.db2.gz PNXZLHOGGYQOKF-CWHMERMBSA-N -1 0 490.386 6.601 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100525097 569763623 /nfs/dbraw/zinc/76/36/23/569763623.db2.gz HVJQAUZCMCXXCG-FTGFMQHASA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C ZINC000100525486 569763736 /nfs/dbraw/zinc/76/37/36/569763736.db2.gz NLOAUYKEMGUEBH-WWDJGNSZSA-N -1 0 468.380 6.064 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cccc(OC(=O)c2cccs2)c1 ZINC000100719483 569767656 /nfs/dbraw/zinc/76/76/56/569767656.db2.gz HPKQVMDTCNUSQC-GZTJUZNOSA-N -1 0 466.902 5.125 50 10 JKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101350277 569793991 /nfs/dbraw/zinc/79/39/91/569793991.db2.gz KCEMWZYPDYJHIO-YVLHZVERSA-N -1 0 458.374 5.847 50 10 JKCARM Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000101346687 569794021 /nfs/dbraw/zinc/79/40/21/569794021.db2.gz QLPHOYMCGOSGTR-LCYFTJDESA-N -1 0 464.765 5.884 50 10 JKCARM COC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000102580621 569814430 /nfs/dbraw/zinc/81/44/30/569814430.db2.gz ZCVFGLZSGPVFTH-NISQSXRWSA-N -1 0 451.592 5.404 50 10 JKCARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@H]2C1=O ZINC000102759463 569821583 /nfs/dbraw/zinc/82/15/83/569821583.db2.gz PROHNLRRZLTDRT-FUPPJEDESA-N -1 0 499.350 5.149 50 10 JKCARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)c(C)c1 ZINC000102762147 569822240 /nfs/dbraw/zinc/82/22/40/569822240.db2.gz CBAPORZLOWXHFY-QNWVGRARSA-N -1 0 483.351 5.367 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000040567536 569830340 /nfs/dbraw/zinc/83/03/40/569830340.db2.gz CWRAKNDVGNHLQM-SLVCOGOPSA-N -1 0 488.439 5.661 50 10 JKCARM COc1ccc(-c2nnc(N=Cc3c(C)[n-]n(-c4c(Cl)cc(Cl)cc4Cl)c3=O)s2)cc1 ZINC000103785122 569838049 /nfs/dbraw/zinc/83/80/49/569838049.db2.gz BPSOBEVGTSCXID-ZROIWOOFSA-N -1 0 494.791 5.892 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000051364652 569852273 /nfs/dbraw/zinc/85/22/73/569852273.db2.gz NRFRZXDBYPEBTQ-FBKCMUNRSA-N -1 0 453.994 5.008 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000252460013 570081195 /nfs/dbraw/zinc/08/11/95/570081195.db2.gz AWKYGGIXMIEMTC-HXUWFJFHSA-N -1 0 482.407 6.373 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000001104055 194025165 /nfs/dbraw/zinc/02/51/65/194025165.db2.gz CETQKJSQFLBKAB-WOJGMQOQSA-N -1 0 470.381 5.232 50 10 JKCARM CCOc1ccc(C2=C(C=C3C(=O)[N-]C(=O)NC3=O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1 ZINC000001248427 194079688 /nfs/dbraw/zinc/07/96/88/194079688.db2.gz YFNYMLOMSAJRTR-VWLOTQADSA-N -1 0 480.520 5.462 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)c1 ZINC000001210635 194071235 /nfs/dbraw/zinc/07/12/35/194071235.db2.gz UXLQGOVZXWOLIM-XMHGGMMESA-N -1 0 450.541 5.501 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000001214646 194072432 /nfs/dbraw/zinc/07/24/32/194072432.db2.gz CTSOQBTTXREELK-MHWRWJLKSA-N -1 0 472.240 5.668 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001257897 194080660 /nfs/dbraw/zinc/08/06/60/194080660.db2.gz MSOQUYKKFYACCN-GDNBJRDFSA-N -1 0 461.301 6.064 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000001416181 194117126 /nfs/dbraw/zinc/11/71/26/194117126.db2.gz INAOHXJIHUKXRZ-QGMBQPNBSA-N -1 0 498.409 5.257 50 10 JKCARM CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001452709 194123537 /nfs/dbraw/zinc/12/35/37/194123537.db2.gz JXLIFDFHOQJGPB-QNGOZBTKSA-N -1 0 493.610 5.004 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S ZINC000001895107 194153412 /nfs/dbraw/zinc/15/34/12/194153412.db2.gz FMMHCRVDJPIDBV-XMHGGMMESA-N -1 0 483.640 5.447 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002972050 194189071 /nfs/dbraw/zinc/18/90/71/194189071.db2.gz NYWCPVQJHAZTNW-GXDHUFHOSA-N -1 0 488.308 5.833 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000002986240 194195583 /nfs/dbraw/zinc/19/55/83/194195583.db2.gz FPXOTKYACHTDSX-GRSHGNNSSA-N -1 0 473.934 5.839 50 10 JKCARM COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)SC1=S ZINC000002994013 194197513 /nfs/dbraw/zinc/19/75/13/194197513.db2.gz LDHLRRPLGQXHGL-ODLFYWEKSA-N -1 0 499.953 5.491 50 10 JKCARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)o1 ZINC000003181316 194235251 /nfs/dbraw/zinc/23/52/51/194235251.db2.gz ZZLSMGIQFLTTCF-ZHZULCJRSA-N -1 0 481.599 5.287 50 10 JKCARM O=S(=O)([N-]c1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1cccs1 ZINC000003259390 194254594 /nfs/dbraw/zinc/25/45/94/194254594.db2.gz NQECJTBMNZSCAY-UHFFFAOYSA-N -1 0 470.622 6.169 50 10 JKCARM C[C@H]1CCCCN1c1cc(Nc2ccc(C(=O)[O-])cc2)c2c3c1noc3-c1ccccc1C2=O ZINC000003742052 194359575 /nfs/dbraw/zinc/35/95/75/194359575.db2.gz NJKWWSVYNAIJSD-HNNXBMFYSA-N -1 0 453.498 5.860 50 10 JKCARM C[C@@H]1C[C@@H](C)CN(c2cc(Nc3cccc(C(=O)[O-])c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742025 194359616 /nfs/dbraw/zinc/35/96/16/194359616.db2.gz JCSCTLYOWGTOJL-HZPDHXFCSA-N -1 0 467.525 5.963 50 10 JKCARM CCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000004136154 194380829 /nfs/dbraw/zinc/38/08/29/194380829.db2.gz KMUGZJZPEHXVIU-CYVLTUHYSA-N -1 0 451.610 5.110 50 10 JKCARM CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)cc1 ZINC000004647408 194393250 /nfs/dbraw/zinc/39/32/50/194393250.db2.gz MWEYHDKJOXNCAC-UMFSSWHCSA-N -1 0 490.581 5.411 50 10 JKCARM O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N1 ZINC000006474200 194428548 /nfs/dbraw/zinc/42/85/48/194428548.db2.gz GUDUTAGZGOOLHC-UHFFFAOYSA-N -1 0 467.912 5.214 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000008683368 194476318 /nfs/dbraw/zinc/47/63/18/194476318.db2.gz FRSALIPXDMWDSD-PTNGSMBKSA-N -1 0 464.890 5.467 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009043250 194509374 /nfs/dbraw/zinc/50/93/74/194509374.db2.gz XQJUGKVZQKDGQO-GDNBJRDFSA-N -1 0 461.301 5.635 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1 ZINC000009076599 194522134 /nfs/dbraw/zinc/52/21/34/194522134.db2.gz IJMKHQVXOQGPBH-HEQHKCQXSA-N -1 0 471.557 5.283 50 10 JKCARM CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000009310487 194683574 /nfs/dbraw/zinc/68/35/74/194683574.db2.gz POSOJTJUSNTHTH-RQZCQDPDSA-N -1 0 498.409 5.257 50 10 JKCARM O=C([O-])c1cccc(NC(=O)CCCCCN2C(=O)S/C(=C/c3ccccc3)C2=S)c1 ZINC000009363754 194713398 /nfs/dbraw/zinc/71/33/98/194713398.db2.gz WVGMFHLJYNLEFL-XMHGGMMESA-N -1 0 454.573 5.421 50 10 JKCARM Cc1ccc(OCCSc2ccc(Cl)cc2)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000009833498 194983542 /nfs/dbraw/zinc/98/35/42/194983542.db2.gz KJRXUSWSQZEWAN-CJLVFECKSA-N -1 0 464.974 5.281 50 10 JKCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S ZINC000009884831 195013949 /nfs/dbraw/zinc/01/39/49/195013949.db2.gz BYUIIWXCTADTRG-BRYYZUPOSA-N -1 0 466.378 5.082 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000009884847 195013984 /nfs/dbraw/zinc/01/39/84/195013984.db2.gz PCALVVVKRNMPIG-SFQUDFHCSA-N -1 0 469.506 5.812 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000009884816 195014023 /nfs/dbraw/zinc/01/40/23/195014023.db2.gz OQPFKTVTTKUKLK-GULXKOIASA-N -1 0 488.439 5.661 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 ZINC000009934445 195026930 /nfs/dbraw/zinc/02/69/30/195026930.db2.gz PAUNKYNQFPGDIV-CPNJWEJPSA-N -1 0 477.372 6.131 50 10 JKCARM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000012879891 195167528 /nfs/dbraw/zinc/16/75/28/195167528.db2.gz ZXPPHCCVYHAQDE-ODLFYWEKSA-N -1 0 484.002 5.555 50 10 JKCARM CC(=Nc1ccccc1Oc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000008694711 518476598 /nfs/dbraw/zinc/47/65/98/518476598.db2.gz ZVCOOMZGZPCJGF-RCCKNPSSSA-N -1 0 494.498 6.740 50 10 JKCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000013777546 519810191 /nfs/dbraw/zinc/81/01/91/519810191.db2.gz JUHGSJBZVDODBQ-HTRKUNOGSA-N -1 0 466.378 5.020 50 10 JKCARM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl ZINC000016226118 520293202 /nfs/dbraw/zinc/29/32/02/520293202.db2.gz IPIJIOUGTHJENM-MDWZMJQESA-N -1 0 467.736 5.410 50 10 JKCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=S)N(c4cccc(C(F)(F)F)c4)C3=O)ccc21 ZINC000017248076 520596096 /nfs/dbraw/zinc/59/60/96/520596096.db2.gz BJYCFSKGIMFKAZ-CPNJWEJPSA-N -1 0 473.520 5.540 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000033423924 520628888 /nfs/dbraw/zinc/62/88/88/520628888.db2.gz KHFSAHADHMBTTO-MOSHPQCFSA-N -1 0 492.915 5.530 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1F ZINC000033423824 520628915 /nfs/dbraw/zinc/62/89/15/520628915.db2.gz DCTIJHJFIGBAQT-MOSHPQCFSA-N -1 0 476.460 5.016 50 10 JKCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC ZINC000033336467 520849364 /nfs/dbraw/zinc/84/93/64/520849364.db2.gz ZBOMSEGKSKWIQP-WJDWOHSUSA-N -1 0 473.323 5.062 50 10 JKCARM CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000016183661 520893623 /nfs/dbraw/zinc/89/36/23/520893623.db2.gz MQJLIOFWROMHJJ-GZTJUZNOSA-N -1 0 455.297 6.066 50 10 JKCARM CCC(C)(C)[C@H]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000025423942 521366454 /nfs/dbraw/zinc/36/64/54/521366454.db2.gz XCSCTVGNIAKSIX-STLXWTDXSA-N -1 0 470.613 6.309 50 10 JKCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)c1 ZINC000001154277 521382086 /nfs/dbraw/zinc/38/20/86/521382086.db2.gz UCNGAPYRLRZCCL-DEDYPNTBSA-N -1 0 497.473 6.018 50 10 JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(O)c1O ZINC000085878702 521894763 /nfs/dbraw/zinc/89/47/63/521894763.db2.gz YXFLXJJMJPCIPA-UHFFFAOYSA-N -1 0 491.500 5.017 50 10 biogenic JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O ZINC000015836809 521946527 /nfs/dbraw/zinc/94/65/27/521946527.db2.gz TUAIHLIIKYDFBE-YBFXNURJSA-N -1 0 478.888 5.140 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000033424061 521959328 /nfs/dbraw/zinc/95/93/28/521959328.db2.gz WNZDTFQELGGFMY-ATVHPVEESA-N -1 0 480.879 5.573 50 10 JKCARM COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 ZINC000001160996 522188022 /nfs/dbraw/zinc/18/80/22/522188022.db2.gz DUMAQZFFYMDAIC-CIAFOILYSA-N -1 0 491.931 5.349 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1 ZINC000008914544 522429247 /nfs/dbraw/zinc/42/92/47/522429247.db2.gz KUYXJDDDVSUKHM-CTDSJEBPSA-N -1 0 456.542 5.119 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000001112416 522972780 /nfs/dbraw/zinc/97/27/80/522972780.db2.gz MRTJLOWUVOCLGU-XDHOZWIPSA-N -1 0 477.498 5.152 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000001207110 522973083 /nfs/dbraw/zinc/97/30/83/522973083.db2.gz UGKWIQJWLAWJJE-GZTJUZNOSA-N -1 0 483.889 5.188 50 10 JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4Cl)c3=O)n2)cc1 ZINC000012275654 523165403 /nfs/dbraw/zinc/16/54/03/523165403.db2.gz LEFFRWWFPJOQDW-GEJZQBIKSA-N -1 0 460.346 6.001 50 10 JKCARM COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000001157236 523315434 /nfs/dbraw/zinc/31/54/34/523315434.db2.gz UJGLNBBGJSGQTJ-UDWIEESQSA-N -1 0 488.500 5.134 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000033398421 523415480 /nfs/dbraw/zinc/41/54/80/523415480.db2.gz ZWTYNKPGVYDPOQ-STZFKDTASA-N -1 0 462.889 5.434 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 ZINC000033398446 523415697 /nfs/dbraw/zinc/41/56/97/523415697.db2.gz PTCXBOYCAOYOSI-HMAPJEAMSA-N -1 0 462.889 5.434 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000016212450 523963236 /nfs/dbraw/zinc/96/32/36/523963236.db2.gz AHIQYZFVPNKTRO-HAHDFKILSA-N -1 0 471.469 5.243 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1 ZINC000009271748 523963258 /nfs/dbraw/zinc/96/32/58/523963258.db2.gz QSUIEGZNQZVEQS-HAHDFKILSA-N -1 0 483.955 6.412 50 10 JKCARM COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c1C ZINC000001163250 524191046 /nfs/dbraw/zinc/19/10/46/524191046.db2.gz LHTWKIYZVIKRLL-VXLYETTFSA-N -1 0 483.952 5.567 50 10 JKCARM Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)SC1=S ZINC000016347986 524224280 /nfs/dbraw/zinc/22/42/80/524224280.db2.gz WNPIYKBUHMZUJG-VCHYOVAHSA-N -1 0 458.948 5.254 50 10 JKCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O ZINC000033398452 524321898 /nfs/dbraw/zinc/32/18/98/524321898.db2.gz HIQRZYUCPXINKI-ZHZULCJRSA-N -1 0 462.889 5.434 50 10 JKCARM COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)cc1 ZINC000006645251 524383753 /nfs/dbraw/zinc/38/37/53/524383753.db2.gz RMABOSXGNHJXSS-YBFXNURJSA-N -1 0 471.943 5.713 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000001161818 524383925 /nfs/dbraw/zinc/38/39/25/524383925.db2.gz VQDJDQFPGVNFMV-HYARGMPZSA-N -1 0 485.540 5.509 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4C(F)(F)F)c3C)C2=O)cc1 ZINC000001152972 524393208 /nfs/dbraw/zinc/39/32/08/524393208.db2.gz GLOAUWQWFDMUQZ-CPNJWEJPSA-N -1 0 483.446 5.628 50 10 JKCARM Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1 ZINC000033306875 524599651 /nfs/dbraw/zinc/59/96/51/524599651.db2.gz PKVPMKHMXYTUDA-IWIPYMOSSA-N -1 0 483.524 5.136 50 10 JKCARM Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000033350461 524773159 /nfs/dbraw/zinc/77/31/59/524773159.db2.gz PXCKFBQGTDIERX-OEAKJJBVSA-N -1 0 453.473 5.644 50 10 JKCARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)cc1C ZINC000036056886 525304805 /nfs/dbraw/zinc/30/48/05/525304805.db2.gz XCBONKHCCRJMNW-UMFSSWHCSA-N -1 0 474.582 5.629 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000008735647 525558089 /nfs/dbraw/zinc/55/80/89/525558089.db2.gz HSSJGOYABIOKSH-BRYYZUPOSA-N -1 0 488.439 5.661 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1C(F)(F)F ZINC000001153321 526085671 /nfs/dbraw/zinc/08/56/71/526085671.db2.gz WYZZNFAGOAJBPK-CPNJWEJPSA-N -1 0 467.447 5.928 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002916354 526085869 /nfs/dbraw/zinc/08/58/69/526085869.db2.gz ZZLXGNVDQCVFKS-UDWIEESQSA-N -1 0 480.933 5.327 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001150864 526085950 /nfs/dbraw/zinc/08/59/50/526085950.db2.gz HEYFDNQWMDTPNM-UDWIEESQSA-N -1 0 453.926 5.558 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000016269351 526089265 /nfs/dbraw/zinc/08/92/65/526089265.db2.gz FSUUGTKMUYHECH-XKZIYDEJSA-N -1 0 463.990 5.196 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccnc1 ZINC000033333164 526090704 /nfs/dbraw/zinc/09/07/04/526090704.db2.gz JOKBIWIGEXUDJN-WQRHYEAKSA-N -1 0 450.951 5.123 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000002700606 526316424 /nfs/dbraw/zinc/31/64/24/526316424.db2.gz LSNKMTWKMCQLGI-BHJKQYKASA-N -1 0 496.009 5.946 50 10 JKCARM [O-]c1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012523837 526324556 /nfs/dbraw/zinc/32/45/56/526324556.db2.gz BXPDOMPVUNTSSC-HXUWFJFHSA-N -1 0 471.152 5.906 50 10 JKCARM [O-]c1c(Br)cc(Br)cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 ZINC000012523838 526324613 /nfs/dbraw/zinc/32/46/13/526324613.db2.gz BXPDOMPVUNTSSC-FQEVSTJZSA-N -1 0 471.152 5.906 50 10 JKCARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000043773498 526379449 /nfs/dbraw/zinc/37/94/49/526379449.db2.gz CTTOGPAAVKCXEG-IMWIBFENSA-N -1 0 464.518 5.151 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000033333051 526938469 /nfs/dbraw/zinc/93/84/69/526938469.db2.gz SULCSQNKSFOKCR-CPNJWEJPSA-N -1 0 466.921 5.730 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000033333000 526941131 /nfs/dbraw/zinc/94/11/31/526941131.db2.gz FKTORXUWFGNHLK-LDADJPATSA-N -1 0 466.921 5.730 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000001186592 526941136 /nfs/dbraw/zinc/94/11/36/526941136.db2.gz NTNHDRHOJBNCBK-ACCUITESSA-N -1 0 450.347 5.248 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000013748631 527045669 /nfs/dbraw/zinc/04/56/69/527045669.db2.gz LZAAEPPYAWZCHI-XMHGGMMESA-N -1 0 492.362 5.427 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000016156331 527045807 /nfs/dbraw/zinc/04/58/07/527045807.db2.gz WYQKHIZSINUKDD-DEDYPNTBSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000016156361 527046077 /nfs/dbraw/zinc/04/60/77/527046077.db2.gz WTBFXOLFLDZKSU-YBFXNURJSA-N -1 0 495.850 5.473 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl ZINC000016156625 527046971 /nfs/dbraw/zinc/04/69/71/527046971.db2.gz FLTAZGCAMHPKIG-CPNJWEJPSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc2ccccc2n1Cc1ccccc1F ZINC000016156430 527047171 /nfs/dbraw/zinc/04/71/71/527047171.db2.gz QXOPPUYXYBZZEQ-KGENOOAVSA-N -1 0 484.443 5.244 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000000640869 553723717 /nfs/dbraw/zinc/72/37/17/553723717.db2.gz ODMYCICUUVSUNZ-FYJGNVAPSA-N -1 0 462.933 5.088 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OCc1ccccc1 ZINC000000664652 553741364 /nfs/dbraw/zinc/74/13/64/553741364.db2.gz VFIZSVKOCVMIJX-KGENOOAVSA-N -1 0 472.566 5.563 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000000843229 553793913 /nfs/dbraw/zinc/79/39/13/553793913.db2.gz CTMLYSGMTYVYFH-ZDLGFXPLSA-N -1 0 488.758 5.721 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000000853253 553799090 /nfs/dbraw/zinc/79/90/90/553799090.db2.gz VEPDIDYFRAJPLN-ZDLGFXPLSA-N -1 0 472.303 5.206 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1 ZINC000000861924 553802455 /nfs/dbraw/zinc/80/24/55/553802455.db2.gz IELCYJMWJPCCRA-UHFFFAOYSA-N -1 0 494.528 5.393 50 10 JKCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4CC)c3C)C2=O)c1 ZINC000000977437 553889654 /nfs/dbraw/zinc/88/96/54/553889654.db2.gz RJTNPYRCVFOENS-HZHRSRAPSA-N -1 0 457.530 5.562 50 10 JKCARM CCOc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000000980752 553890976 /nfs/dbraw/zinc/89/09/76/553890976.db2.gz MHSOJJPGHDPDMY-LICLKQGHSA-N -1 0 458.967 5.542 50 10 JKCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 ZINC000001175049 553925543 /nfs/dbraw/zinc/92/55/43/553925543.db2.gz CHCJPXLEUCLFJX-HZHRSRAPSA-N -1 0 460.461 5.310 50 10 JKCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccccc3F)C2=O)cc1 ZINC000001178838 553927778 /nfs/dbraw/zinc/92/77/78/553927778.db2.gz SSWRVQAPEZVCPP-RCCKNPSSSA-N -1 0 460.461 5.310 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl ZINC000001275140 553939515 /nfs/dbraw/zinc/93/95/15/553939515.db2.gz RKKXHKPFCRGFTH-LPYMAVHISA-N -1 0 469.928 5.522 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12 ZINC000002119443 554054744 /nfs/dbraw/zinc/05/47/44/554054744.db2.gz RNFZLANFRICZMQ-HMAPJEAMSA-N -1 0 487.378 6.427 50 10 JKCARM Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1 ZINC000002180285 554079420 /nfs/dbraw/zinc/07/94/20/554079420.db2.gz MCMATWGGZDDQPB-PXLXIMEGSA-N -1 0 497.378 5.611 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000002214176 554096926 /nfs/dbraw/zinc/09/69/26/554096926.db2.gz BJQOGJDHFSZNRS-HYARGMPZSA-N -1 0 453.473 5.644 50 10 JKCARM Cc1ccc(OCCCn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000002233255 554106483 /nfs/dbraw/zinc/10/64/83/554106483.db2.gz SCYNBPGKZVCOMX-UQQQWYQISA-N -1 0 497.526 5.224 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000002252121 554116062 /nfs/dbraw/zinc/11/60/62/554116062.db2.gz MHGZSDOILSKVMJ-GZTJUZNOSA-N -1 0 483.889 5.188 50 10 JKCARM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000002289959 554134361 /nfs/dbraw/zinc/13/43/61/554134361.db2.gz ZZUMIBFKMDXFFV-UHFFFAOYSA-N -1 0 480.369 5.351 50 10 JKCARM Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000002309288 554143136 /nfs/dbraw/zinc/14/31/36/554143136.db2.gz PVAWLDRXZPCZCP-MFKUBSTISA-N -1 0 463.537 5.281 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002377741 554174397 /nfs/dbraw/zinc/17/43/97/554174397.db2.gz POJMBMGRLMTBDI-XMHGGMMESA-N -1 0 491.975 5.713 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000002381906 554175922 /nfs/dbraw/zinc/17/59/22/554175922.db2.gz NFNCRYJJVRVYMC-ZPWPBLDLSA-N -1 0 496.009 5.946 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cc(Cl)ccc3Cl)C2=O)cc1 ZINC000002383570 554176519 /nfs/dbraw/zinc/17/65/19/554176519.db2.gz OALNERJZRVIUSG-HMMYKYKNSA-N -1 0 498.366 5.943 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002394410 554181310 /nfs/dbraw/zinc/18/13/10/554181310.db2.gz GCCZAKFCMPMLNS-JLPGSUDCSA-N -1 0 465.578 5.387 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000002403561 554187127 /nfs/dbraw/zinc/18/71/27/554187127.db2.gz SXZJRESACZVVRJ-VCHYOVAHSA-N -1 0 488.758 5.676 50 10 JKCARM CC(C)c1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000002450496 554217903 /nfs/dbraw/zinc/21/79/03/554217903.db2.gz PBHCRFVAIDZMMV-PCLIKHOPSA-N -1 0 479.605 6.485 50 10 JKCARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1N1CCCCC1 ZINC000002638339 554258669 /nfs/dbraw/zinc/25/86/69/554258669.db2.gz YCJFVSUQPITFJB-UHFFFAOYSA-N -1 0 486.037 5.165 50 10 JKCARM O=S(=O)([N-]c1cc(Sc2cccc3cccnc32)c(O)c2ccccc12)c1cccs1 ZINC000002685421 554282664 /nfs/dbraw/zinc/28/26/64/554282664.db2.gz RIOZDJKKJVLSOC-UHFFFAOYSA-N -1 0 464.593 6.107 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002700615 554293970 /nfs/dbraw/zinc/29/39/70/554293970.db2.gz QWRYEAOYHDHZGG-BHJKQYKASA-N -1 0 496.009 5.946 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000002754669 554327684 /nfs/dbraw/zinc/32/76/84/554327684.db2.gz FDJLMPBQEBOIHT-QZTJIDSGSA-N -1 0 461.624 5.750 50 10 JKCARM O=C1c2ccccc2-c2nc(-c3ccc(S(=O)(=O)[O-])cc3)nc3ccc(NCc4ccccc4)c1c32 ZINC000003144461 554427411 /nfs/dbraw/zinc/42/74/11/554427411.db2.gz USMZPVUWRIPURY-UHFFFAOYSA-N -1 0 493.544 5.367 50 10 JKCARM Cc1ccc(NC(=O)C2=Cc3ccccc3C(=NNc3cc(S(=O)(=O)[O-])ccc3O)C2=O)c(C)c1 ZINC000004974300 554484424 /nfs/dbraw/zinc/48/44/24/554484424.db2.gz LZBFYQQOKGIGIS-BYYHNAKLSA-N -1 0 491.525 5.782 50 10 JKCARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)c1 ZINC000006886539 554560462 /nfs/dbraw/zinc/56/04/62/554560462.db2.gz BIHYXCZXZXYUGB-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM O=C1/C(=C\c2cc(Br)c([O-])c(Br)c2)SC(=S)N1c1ccccc1 ZINC000008435278 554587418 /nfs/dbraw/zinc/58/74/18/554587418.db2.gz MGZAMBUJXPPMNK-MDWZMJQESA-N -1 0 471.195 5.323 50 10 JKCARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000008438083 554589002 /nfs/dbraw/zinc/58/90/02/554589002.db2.gz CAXWMSYKTSJJMR-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000008738327 554639811 /nfs/dbraw/zinc/63/98/11/554639811.db2.gz ORHKKGCWIBBNSZ-ZGPWBKFBSA-N -1 0 496.394 6.228 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1 ZINC000008739492 554641181 /nfs/dbraw/zinc/64/11/81/554641181.db2.gz XLLCCCIABDHLJY-ZDSQJECRSA-N -1 0 491.975 6.241 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1Cl ZINC000008741410 554643705 /nfs/dbraw/zinc/64/37/05/554643705.db2.gz GHUUQHVALIMYIM-NDENLUEZSA-N -1 0 463.921 5.571 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000008742489 554645070 /nfs/dbraw/zinc/64/50/70/554645070.db2.gz XDVUUBLUKVTHDH-MHWRWJLKSA-N -1 0 471.916 5.697 50 10 JKCARM Cc1cccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000008742628 554645362 /nfs/dbraw/zinc/64/53/62/554645362.db2.gz PYMNDUIUCOVGTQ-KGENOOAVSA-N -1 0 463.921 5.344 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 ZINC000008743487 554646240 /nfs/dbraw/zinc/64/62/40/554646240.db2.gz DNCXPRRTOUPJFG-WOJGMQOQSA-N -1 0 465.849 5.632 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000008743583 554646713 /nfs/dbraw/zinc/64/67/13/554646713.db2.gz ZSFUHJPJVFWYCO-KQWNVCNZSA-N -1 0 469.472 5.366 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008763359 554663266 /nfs/dbraw/zinc/66/32/66/554663266.db2.gz WZGLGUGTQWIPDE-GQEMFKIVSA-N -1 0 455.944 5.627 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008763362 554663419 /nfs/dbraw/zinc/66/34/19/554663419.db2.gz WZGLGUGTQWIPDE-TVNWYLLRSA-N -1 0 455.944 5.627 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000008763368 554663459 /nfs/dbraw/zinc/66/34/59/554663459.db2.gz NNXCPTRKZRTVNV-WAGPWIPHSA-N -1 0 490.389 6.281 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000008765661 554666253 /nfs/dbraw/zinc/66/62/53/554666253.db2.gz PLHBUOBRJNGCRQ-JXAWBTAJSA-N -1 0 474.475 6.790 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000008809463 554688248 /nfs/dbraw/zinc/68/82/48/554688248.db2.gz XPBWURPOHQGIJK-ZEQKJWHPSA-N -1 0 495.793 7.748 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000008818965 554703353 /nfs/dbraw/zinc/70/33/53/554703353.db2.gz LWLLIJOYYCEJIL-DWKHYPNZSA-N -1 0 453.994 5.008 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 ZINC000008842842 554740259 /nfs/dbraw/zinc/74/02/59/554740259.db2.gz BEKTVDJDVMXKEB-WQRHYEAKSA-N -1 0 455.297 5.537 50 10 JKCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000008856699 554752820 /nfs/dbraw/zinc/75/28/20/554752820.db2.gz JERBJOUAOFVBBW-WQRHYEAKSA-N -1 0 467.890 5.488 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000008857617 554754408 /nfs/dbraw/zinc/75/44/08/554754408.db2.gz JFOKJXIZHUWTAZ-QNGOZBTKSA-N -1 0 455.601 5.420 50 10 JKCARM O=C([O-])CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O ZINC000008870799 554765670 /nfs/dbraw/zinc/76/56/70/554765670.db2.gz CEXOZTDCFRDYOU-UHFFFAOYSA-N -1 0 453.541 5.066 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000008871698 554767641 /nfs/dbraw/zinc/76/76/41/554767641.db2.gz ASQPQDMMMJIYKI-KNGSKEOJSA-N -1 0 498.445 5.117 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008914409 554807295 /nfs/dbraw/zinc/80/72/95/554807295.db2.gz IYECFIUQNVYWPQ-SITPEIFSSA-N -1 0 496.394 6.863 50 10 JKCARM CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000008919876 554816660 /nfs/dbraw/zinc/81/66/60/554816660.db2.gz IVWULXATDPVHCT-YPMLDQLKSA-N -1 0 483.859 6.840 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000008919880 554816703 /nfs/dbraw/zinc/81/67/03/554816703.db2.gz IVWULXATDPVHCT-MLCYQJTMSA-N -1 0 483.859 6.840 50 10 JKCARM COc1cccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000008984321 554848155 /nfs/dbraw/zinc/84/81/55/554848155.db2.gz BBRMDEBOIPCGSA-HZHRSRAPSA-N -1 0 492.915 5.313 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1 ZINC000008984726 554848672 /nfs/dbraw/zinc/84/86/72/554848672.db2.gz DMROIIMGDMCNPV-OSWZSTQVSA-N -1 0 498.579 5.633 50 10 JKCARM CC(=O)Nc1ccc(NC=C2SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1 ZINC000008993516 554853897 /nfs/dbraw/zinc/85/38/97/554853897.db2.gz TWHWZCYRZQXVIV-SILNSSARSA-N -1 0 477.652 5.354 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000008995588 554856390 /nfs/dbraw/zinc/85/63/90/554856390.db2.gz VAEYJOSBWQAWHS-OEAKJJBVSA-N -1 0 453.473 5.331 50 10 JKCARM CCN(CCO)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000008997275 554858597 /nfs/dbraw/zinc/85/85/97/554858597.db2.gz XMXVKPZOLGNJED-ITYLOYPMSA-N -1 0 479.536 5.318 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1 ZINC000008997477 554858917 /nfs/dbraw/zinc/85/89/17/554858917.db2.gz AOMBUGNTVGCVSS-IWIPYMOSSA-N -1 0 483.955 6.412 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)c1 ZINC000008997634 554859125 /nfs/dbraw/zinc/85/91/25/554859125.db2.gz PUQKBHGNIZVGJW-OEAKJJBVSA-N -1 0 459.571 5.473 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000008997614 554859164 /nfs/dbraw/zinc/85/91/64/554859164.db2.gz YAAIXBUPQCMUCI-FYJGNVAPSA-N -1 0 473.891 5.989 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000009010042 554863476 /nfs/dbraw/zinc/86/34/76/554863476.db2.gz GOCHJNQQZZMESN-JJIBRWJFSA-N -1 0 467.594 5.619 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009015994 554866292 /nfs/dbraw/zinc/86/62/92/554866292.db2.gz CVEVCWSKDFKXAJ-XQNSMLJCSA-N -1 0 471.944 5.164 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009043348 554869760 /nfs/dbraw/zinc/86/97/60/554869760.db2.gz JVXSSFXDYHUNHZ-BOPFTXTBSA-N -1 0 482.246 5.124 50 10 JKCARM CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000009057232 554876328 /nfs/dbraw/zinc/87/63/28/554876328.db2.gz FTOCQRMUNLIJTF-UYRXBGFRSA-N -1 0 478.888 5.281 50 10 JKCARM CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1)c1ccccc1 ZINC000009057238 554876467 /nfs/dbraw/zinc/87/64/67/554876467.db2.gz DXSGHFVUZGQKDJ-HSTCNOFJSA-N -1 0 459.358 5.512 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000009075873 554886978 /nfs/dbraw/zinc/88/69/78/554886978.db2.gz IYECFIUQNVYWPQ-LRSOKBAUSA-N -1 0 496.394 6.023 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1 ZINC000009076086 554887344 /nfs/dbraw/zinc/88/73/44/554887344.db2.gz ILWTXUSDLMJJND-LFTLAFEGSA-N -1 0 491.975 5.400 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000009076360 554887836 /nfs/dbraw/zinc/88/78/36/554887836.db2.gz CNCSISOWMRTGHU-HAHDFKILSA-N -1 0 467.500 5.058 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cccc(C)c3)C2=O)cc1 ZINC000009166273 554951322 /nfs/dbraw/zinc/95/13/22/554951322.db2.gz JFKWYPGZMMWJGP-VXCWRXKNSA-N -1 0 471.557 5.055 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000009262702 555037569 /nfs/dbraw/zinc/03/75/69/555037569.db2.gz USGOWQKVDDHHTP-LFVJCYFKSA-N -1 0 498.991 5.904 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009264660 555039884 /nfs/dbraw/zinc/03/98/84/555039884.db2.gz BXTARBPCEPCELX-WQRHYEAKSA-N -1 0 454.313 5.067 50 10 JKCARM CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2OC)cc1 ZINC000009296739 555073762 /nfs/dbraw/zinc/07/37/62/555073762.db2.gz GNGZKGMLDBTATL-HBTCSRNFSA-N -1 0 486.568 5.128 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl ZINC000009310390 555086075 /nfs/dbraw/zinc/08/60/75/555086075.db2.gz JGPULDZBVSGRNT-VCHYOVAHSA-N -1 0 486.914 5.612 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)o2)c1 ZINC000009310420 555086116 /nfs/dbraw/zinc/08/61/16/555086116.db2.gz PHTGPKDCLHPEAD-HYARGMPZSA-N -1 0 457.532 6.204 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009311626 555088061 /nfs/dbraw/zinc/08/80/61/555088061.db2.gz PZNHKQDGASCKIK-RAXLEYEMSA-N -1 0 461.301 5.224 50 10 JKCARM COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 ZINC000009313195 555089191 /nfs/dbraw/zinc/08/91/91/555089191.db2.gz NRYGQXXEEFEMRM-MTJSOVHGSA-N -1 0 463.921 5.571 50 10 JKCARM Cc1ccc(C)c(N2C(=O)/C(=C/c3c4ccccc4[nH]c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000009319522 555093872 /nfs/dbraw/zinc/09/38/72/555093872.db2.gz NRSKGHWHYFDEAL-RCCKNPSSSA-N -1 0 451.551 5.283 50 10 JKCARM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000009323372 555096533 /nfs/dbraw/zinc/09/65/33/555096533.db2.gz LKTHICHZPUEANR-LPYMAVHISA-N -1 0 490.943 5.822 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(N2CCCCCC2)cc1 ZINC000009358841 555122854 /nfs/dbraw/zinc/12/28/54/555122854.db2.gz MGFMXNXCHZGZFV-XSFVSMFZSA-N -1 0 484.419 5.072 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1C ZINC000009424930 555189691 /nfs/dbraw/zinc/18/96/91/555189691.db2.gz CKXKDWFDXPLQDO-HAHDFKILSA-N -1 0 485.971 5.186 50 10 JKCARM Cc1ccc(Cn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1 ZINC000009428295 555193996 /nfs/dbraw/zinc/19/39/96/555193996.db2.gz TUXCGCMFMXELQX-QRVIBDJDSA-N -1 0 483.955 5.626 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4ccccc4)c4ccccc34)C2=O)cc1Cl ZINC000009428612 555194453 /nfs/dbraw/zinc/19/44/53/555194453.db2.gz WSKDCWIRMPTCEX-HAHDFKILSA-N -1 0 499.954 5.349 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000009444148 555216859 /nfs/dbraw/zinc/21/68/59/555216859.db2.gz ASQPQDMMMJIYKI-DWKHYPNZSA-N -1 0 498.445 5.117 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009463748 555234293 /nfs/dbraw/zinc/23/42/93/555234293.db2.gz XERYXEFSNKEWAF-JAIQZWGSSA-N -1 0 454.313 5.067 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl ZINC000009477617 555258674 /nfs/dbraw/zinc/25/86/74/555258674.db2.gz NMMYKJRRBCBJGX-BKUYFWCQSA-N -1 0 485.927 5.018 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000009477922 555259383 /nfs/dbraw/zinc/25/93/83/555259383.db2.gz LXEYADJMDUYVLJ-OYKKKHCWSA-N -1 0 483.955 5.876 50 10 JKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000009498017 555282240 /nfs/dbraw/zinc/28/22/40/555282240.db2.gz HAHZRTXSZMVINZ-SRMUTFMASA-N -1 0 451.379 5.679 50 10 JKCARM O=c1c(O)cc2c(-c3ccccc3)c3cc(O)c([O-])c(Br)c3oc-2c1Br ZINC000009514258 555304609 /nfs/dbraw/zinc/30/46/09/555304609.db2.gz UZECKVJCPLMMEL-UHFFFAOYSA-N -1 0 478.092 5.207 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 ZINC000009553451 555349728 /nfs/dbraw/zinc/34/97/28/555349728.db2.gz BSNNZAOIDSEZIT-SAHIIKMKSA-N -1 0 472.516 5.585 50 10 JKCARM COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000013361786 555387285 /nfs/dbraw/zinc/38/72/85/555387285.db2.gz FGEICFJXYMMLJN-ANSQWYIGSA-N -1 0 491.569 5.539 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCCC1 ZINC000013381976 555393276 /nfs/dbraw/zinc/39/32/76/555393276.db2.gz NWZWJTPYISTJDH-UDWIEESQSA-N -1 0 470.367 5.039 50 10 JKCARM CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2)c1 ZINC000009679158 555404120 /nfs/dbraw/zinc/40/41/20/555404120.db2.gz CMSOAKMWAYQXNX-NLRVBDNBSA-N -1 0 484.552 5.830 50 10 JKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SN=C(SCc3ccccc3)N21 ZINC000013514578 555485386 /nfs/dbraw/zinc/48/53/86/555485386.db2.gz UBRKLUOOWUJXAY-NBUXHNBQSA-N -1 0 463.371 5.209 50 10 JKCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000009762121 555487199 /nfs/dbraw/zinc/48/71/99/555487199.db2.gz PVHQKPYYAUQOCX-FYJGNVAPSA-N -1 0 462.933 5.088 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000013536858 555488673 /nfs/dbraw/zinc/48/86/73/555488673.db2.gz NOFQVNLZFBUKGR-IYBDPMFKSA-N -1 0 499.485 6.072 50 10 biogenic JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000013550068 555491211 /nfs/dbraw/zinc/49/12/11/555491211.db2.gz PBDSHLQVCGUEPN-XNTDXEJSSA-N -1 0 461.688 5.573 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000013569361 555507542 /nfs/dbraw/zinc/50/75/42/555507542.db2.gz FGHYZWKTMFUKRZ-XYGWBWBKSA-N -1 0 463.537 6.067 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013571082 555509571 /nfs/dbraw/zinc/50/95/71/555509571.db2.gz ZQYLNQZEGXHYBM-ODLFYWEKSA-N -1 0 468.340 6.216 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccccc3Cl)C2=O)cc1 ZINC000013660576 555556192 /nfs/dbraw/zinc/55/61/92/555556192.db2.gz ILWTXUSDLMJJND-LSOGNMMWSA-N -1 0 491.975 5.400 50 10 JKCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 ZINC000013686209 555579731 /nfs/dbraw/zinc/57/97/31/555579731.db2.gz ICFSXTHRXAQWLT-JLPGSUDCSA-N -1 0 483.499 5.675 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(OC)c(Cl)c4)C3=O)o2)cc1 ZINC000013688711 555582247 /nfs/dbraw/zinc/58/22/47/555582247.db2.gz HIHOAORTRMOKRF-AQTBWJFISA-N -1 0 494.887 5.292 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3cccs3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000013712692 555590033 /nfs/dbraw/zinc/59/00/33/555590033.db2.gz OMHGCMUYDIYGFK-YBFXNURJSA-N -1 0 498.402 5.093 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013750980 555609615 /nfs/dbraw/zinc/60/96/15/555609615.db2.gz LMPNKRIJHHBZDS-CJLVFECKSA-N -1 0 497.473 5.019 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000010059828 555610744 /nfs/dbraw/zinc/61/07/44/555610744.db2.gz GSMFJEZIKJWRPO-GDNBJRDFSA-N -1 0 475.715 6.411 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000013893351 555641218 /nfs/dbraw/zinc/64/12/18/555641218.db2.gz QEHWFXKWXKVYHE-ODLFYWEKSA-N -1 0 497.334 5.247 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)c1 ZINC000013894743 555642105 /nfs/dbraw/zinc/64/21/05/555642105.db2.gz PRXLPDFLFBFGAO-XHPQRKPJSA-N -1 0 498.579 5.417 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000013894784 555642182 /nfs/dbraw/zinc/64/21/82/555642182.db2.gz HAAMLSJRMJAJAH-BKUYFWCQSA-N -1 0 467.308 5.239 50 10 JKCARM CC(C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000013895880 555643114 /nfs/dbraw/zinc/64/31/14/555643114.db2.gz PKEIRMWBCJFBDB-XQNSMLJCSA-N -1 0 461.493 5.336 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000013897925 555644521 /nfs/dbraw/zinc/64/45/21/555644521.db2.gz IXYUWXPGVCWYSY-GZTJUZNOSA-N -1 0 471.694 5.029 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000020168311 555678906 /nfs/dbraw/zinc/67/89/06/555678906.db2.gz SZMKHYLMFCQDMN-MSOLQXFVSA-N -1 0 463.640 5.974 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000020168314 555678932 /nfs/dbraw/zinc/67/89/32/555678932.db2.gz SZMKHYLMFCQDMN-ROUUACIJSA-N -1 0 463.640 5.974 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000020168317 555678970 /nfs/dbraw/zinc/67/89/70/555678970.db2.gz SZMKHYLMFCQDMN-ZWKOTPCHSA-N -1 0 463.640 5.974 50 10 JKCARM COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000014165947 555718330 /nfs/dbraw/zinc/71/83/30/555718330.db2.gz NURASWRJEGEDBY-RNHFSVANSA-N -1 0 476.554 5.021 50 10 JKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014166000 555718688 /nfs/dbraw/zinc/71/86/88/555718688.db2.gz BJRUZKFQSVVMNX-DPLHUUCSSA-N -1 0 464.518 5.151 50 10 JKCARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000014166034 555718741 /nfs/dbraw/zinc/71/87/41/555718741.db2.gz VCDDGTSHJBIEQC-CZSZKKDXSA-N -1 0 495.000 5.974 50 10 JKCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N([C@H](C)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238475 555732138 /nfs/dbraw/zinc/73/21/38/555732138.db2.gz UAEKVZIWBMOOLX-CTFRJJSNSA-N -1 0 475.457 5.317 50 10 JKCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238532 555732274 /nfs/dbraw/zinc/73/22/74/555732274.db2.gz NQWCHGJDGPQBCT-WQRHYEAKSA-N -1 0 481.848 5.414 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5ccccc54)o3)C2=O)cc1Cl ZINC000020238577 555732483 /nfs/dbraw/zinc/73/24/83/555732483.db2.gz QHLIUHWSWFTVTN-ZHZULCJRSA-N -1 0 488.952 7.053 50 10 JKCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238553 555732519 /nfs/dbraw/zinc/73/25/19/555732519.db2.gz UAGVFIYPJBGJCV-MOSHPQCFSA-N -1 0 475.457 5.323 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1 ZINC000020324547 555772585 /nfs/dbraw/zinc/77/25/85/555772585.db2.gz MBHLRDWGIZPSRM-UNOMPAQXSA-N -1 0 452.919 5.728 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 ZINC000022276456 555913695 /nfs/dbraw/zinc/91/36/95/555913695.db2.gz QSYBZLYERKJGJQ-NDENLUEZSA-N -1 0 481.335 5.547 50 10 JKCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 ZINC000022288937 555917908 /nfs/dbraw/zinc/91/79/08/555917908.db2.gz PVUWLCCXKKCBJW-HZHRSRAPSA-N -1 0 474.944 5.709 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000012345685 555956596 /nfs/dbraw/zinc/95/65/96/555956596.db2.gz FOMONYZKWRNGOS-ODLFYWEKSA-N -1 0 473.743 5.687 50 10 JKCARM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(c4ccc(OC)cc4)CC3)c([O-])n2n1 ZINC000022854984 555962162 /nfs/dbraw/zinc/96/21/62/555962162.db2.gz GCZQPUHYCXXNEL-XMMPIXPASA-N -1 0 491.661 5.102 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC ZINC000015799476 556007759 /nfs/dbraw/zinc/00/77/59/556007759.db2.gz WDVOJYNZMRIVHX-DEDYPNTBSA-N -1 0 492.915 5.443 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000015799780 556008016 /nfs/dbraw/zinc/00/80/16/556008016.db2.gz DPICWDAYTMOSAI-QGOAFFKASA-N -1 0 450.466 5.215 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1F ZINC000015837197 556020878 /nfs/dbraw/zinc/02/08/78/556020878.db2.gz WNZDTFQELGGFMY-SFQUDFHCSA-N -1 0 480.879 5.573 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000015837564 556021005 /nfs/dbraw/zinc/02/10/05/556021005.db2.gz MHKYEMFQYHBHKY-VCHYOVAHSA-N -1 0 495.850 5.473 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1 ZINC000017113113 556217918 /nfs/dbraw/zinc/21/79/18/556217918.db2.gz MAKIVDPWOJGXTG-HRKXOBMBSA-N -1 0 461.949 6.210 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000017112929 556217975 /nfs/dbraw/zinc/21/79/75/556217975.db2.gz PXDTXHUJLGWLRX-DEDYPNTBSA-N -1 0 468.340 5.912 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025558569 556220565 /nfs/dbraw/zinc/22/05/65/556220565.db2.gz HLWNFZUSCCQXTE-UGKGYDQZSA-N -1 0 480.178 7.248 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025558581 556220676 /nfs/dbraw/zinc/22/06/76/556220676.db2.gz HLWNFZUSCCQXTE-DENIHFKCSA-N -1 0 480.178 7.248 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2c(Cl)cc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025558577 556220699 /nfs/dbraw/zinc/22/06/99/556220699.db2.gz HLWNFZUSCCQXTE-KNQAVFIVSA-N -1 0 480.178 7.248 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025559506 556220869 /nfs/dbraw/zinc/22/08/69/556220869.db2.gz ASRBWMHHDHHJKG-KNQAVFIVSA-N -1 0 490.184 6.704 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025559502 556220926 /nfs/dbraw/zinc/22/09/26/556220926.db2.gz ASRBWMHHDHHJKG-SIKLNZKXSA-N -1 0 490.184 6.704 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000027501255 556282096 /nfs/dbraw/zinc/28/20/96/556282096.db2.gz ULBAOPROOQJSNU-GDNBJRDFSA-N -1 0 486.267 5.666 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)cc1 ZINC000027527820 556289721 /nfs/dbraw/zinc/28/97/21/556289721.db2.gz DPPSELHAQHKYNR-XHPQRKPJSA-N -1 0 498.579 6.257 50 10 JKCARM CCOc1ccccc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000018121976 556290832 /nfs/dbraw/zinc/29/08/32/556290832.db2.gz COOZWCGOLLPQAW-QJOMJCCJSA-N -1 0 454.555 5.832 50 10 JKCARM CCN1C(=O)[N-]C(=O)C(=Cc2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)C1=O ZINC000027549071 556295584 /nfs/dbraw/zinc/29/55/84/556295584.db2.gz BFLUXAAIWKQUEY-CPNJWEJPSA-N -1 0 451.910 5.004 50 10 JKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc54)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000018190829 556300868 /nfs/dbraw/zinc/30/08/68/556300868.db2.gz CTPFNZRVWWGLTP-NYULUDCUSA-N -1 0 496.588 6.165 50 10 JKCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4C(C)C)c(C(F)(F)F)oc32)CC1 ZINC000019691242 556360293 /nfs/dbraw/zinc/36/02/93/556360293.db2.gz BTEVDMZZFDMTBO-UHFFFAOYSA-N -1 0 490.522 5.571 50 10 JKCARM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019791550 556370674 /nfs/dbraw/zinc/37/06/74/556370674.db2.gz XZUWPKSJPCCULQ-GASCZTMLSA-N -1 0 463.452 5.227 50 10 biogenic JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc32)C[C@@H](C)O1 ZINC000019791748 556370798 /nfs/dbraw/zinc/37/07/98/556370798.db2.gz SOQQJUCOCSPQGJ-CHWSQXEVSA-N -1 0 467.871 5.447 50 10 JKCARM Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019792873 556371344 /nfs/dbraw/zinc/37/13/44/556371344.db2.gz FTKKAVDPPJWTOT-HUUCEWRRSA-N -1 0 463.452 5.227 50 10 JKCARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@@H](C)O[C@H](C)C3)c2oc1C(F)(F)F ZINC000019792862 556371399 /nfs/dbraw/zinc/37/13/99/556371399.db2.gz JEEJNSSKDTWJGZ-HZPDHXFCSA-N -1 0 491.506 6.042 50 10 JKCARM O=c1c2ccc([O-])c(CN3CCN(Cc4ccccc4)CC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019793071 556372409 /nfs/dbraw/zinc/37/24/09/556372409.db2.gz NMHHSVABUCDNQN-UHFFFAOYSA-N -1 0 494.513 5.502 50 10 JKCARM Cc1cc(Oc2c(=O)c3ccc([O-])c(CN4CCN(C)CC4)c3oc2C(F)(F)F)cc(C)c1Cl ZINC000019793138 556372537 /nfs/dbraw/zinc/37/25/37/556372537.db2.gz NDDUOPIFEWMXSJ-UHFFFAOYSA-N -1 0 496.913 5.327 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000032694354 556471716 /nfs/dbraw/zinc/47/17/16/556471716.db2.gz SDOXFSBAELIPCT-VKIDYWOHSA-N -1 0 475.591 5.601 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000032694359 556471726 /nfs/dbraw/zinc/47/17/26/556471726.db2.gz QWRYEAOYHDHZGG-AMUNLKFJSA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S ZINC000032694367 556472058 /nfs/dbraw/zinc/47/20/58/556472058.db2.gz NFNCRYJJVRVYMC-AMUNLKFJSA-N -1 0 496.009 5.946 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000033926973 569637868 /nfs/dbraw/zinc/63/78/68/569637868.db2.gz SWGJZMPXZABMBS-MOSHPQCFSA-N -1 0 462.889 5.434 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000034234775 569639870 /nfs/dbraw/zinc/63/98/70/569639870.db2.gz YSQXLZZHLYWRHZ-UNOMPAQXSA-N -1 0 493.313 5.240 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000034378559 569640141 /nfs/dbraw/zinc/64/01/41/569640141.db2.gz FDZZWJCARAPECH-WOJGMQOQSA-N -1 0 469.324 5.042 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000067350942 569688505 /nfs/dbraw/zinc/68/85/05/569688505.db2.gz NNJKUHSCYCCMPK-MOSHPQCFSA-N -1 0 463.446 5.198 50 10 JKCARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC000035534773 569701567 /nfs/dbraw/zinc/70/15/67/569701567.db2.gz LVKWZHBYYFWYHV-UHFFFAOYSA-N -1 0 491.590 5.542 50 10 JKCARM O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(O)cc3)c12 ZINC000085875095 569715747 /nfs/dbraw/zinc/71/57/47/569715747.db2.gz LKZNCRNLAJNSKE-UHFFFAOYSA-N -1 0 459.502 5.693 50 10 biogenic JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1 ZINC000085875885 569715893 /nfs/dbraw/zinc/71/58/93/569715893.db2.gz ZYBMXNXYPWULJX-UHFFFAOYSA-N -1 0 475.501 5.225 50 10 biogenic JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C ZINC000085878743 569716207 /nfs/dbraw/zinc/71/62/07/569716207.db2.gz XWATWZXVEDEAFR-UHFFFAOYSA-N -1 0 463.490 5.079 50 10 biogenic JKCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(OC(F)(F)F)cc1 ZINC000095473469 569723754 /nfs/dbraw/zinc/72/37/54/569723754.db2.gz FXOJYHZKNBCVKB-UHFFFAOYSA-N -1 0 459.380 5.594 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000095925752 569730357 /nfs/dbraw/zinc/73/03/57/569730357.db2.gz ALYRLUGGOONALC-XDHOZWIPSA-N -1 0 494.403 5.345 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000098086264 569750351 /nfs/dbraw/zinc/75/03/51/569750351.db2.gz ATFZSYRASXQYQR-KEBDBYFISA-N -1 0 498.435 5.849 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000100076109 569752523 /nfs/dbraw/zinc/75/25/23/569752523.db2.gz QMRZCFOVKCCFKU-GZTJUZNOSA-N -1 0 474.822 6.123 50 10 JKCARM CC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094859 569752906 /nfs/dbraw/zinc/75/29/06/569752906.db2.gz OMFTYNOURWFHAU-GDNBJRDFSA-N -1 0 481.297 5.710 50 10 JKCARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1C=C1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C ZINC000100149896 569754139 /nfs/dbraw/zinc/75/41/39/569754139.db2.gz KTKFPQCZSCYPMO-FUDBJYBQSA-N -1 0 494.395 5.412 50 10 JKCARM CCC(=Nc1ccc([N+](=O)[O-])cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100157863 569754172 /nfs/dbraw/zinc/75/41/72/569754172.db2.gz XUCGSPIUEAGIAO-SSZFMOIBSA-N -1 0 461.425 5.246 50 10 JKCARM CCOC(=O)C(=C(C)Nc1ccc(C)cc1)c1c(O)cc(Br)c([O-])c1Br ZINC000100205329 569755364 /nfs/dbraw/zinc/75/53/64/569755364.db2.gz DVTFUOQVDJMFBT-RVDMUPIBSA-N -1 0 485.172 5.337 50 10 JKCARM O=c1c(C=Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000100408637 569759395 /nfs/dbraw/zinc/75/93/95/569759395.db2.gz PTZKNTSEVVTTGJ-FMIVXFBMSA-N -1 0 456.371 5.576 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100510889 569763194 /nfs/dbraw/zinc/76/31/94/569763194.db2.gz BEFPVSCEBHQPJG-IUBFCHALSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1c(C)cc(C)cc1C ZINC000100524887 569763608 /nfs/dbraw/zinc/76/36/08/569763608.db2.gz AWKYGGIXMIEMTC-QTJUSOIVSA-N -1 0 482.407 6.373 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100525094 569763625 /nfs/dbraw/zinc/76/36/25/569763625.db2.gz HVJQAUZCMCXXCG-IUBFCHALSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000100524875 569763629 /nfs/dbraw/zinc/76/36/29/569763629.db2.gz ZZCMIKJGLRRABO-LRDZBDLTSA-N -1 0 475.317 5.900 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000100525088 569763644 /nfs/dbraw/zinc/76/36/44/569763644.db2.gz QBSFJGZXEIFEEG-IUBFCHALSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100525126 569763667 /nfs/dbraw/zinc/76/36/67/569763667.db2.gz XTMIGRNNAPGXJU-DUPNKOKHSA-N -1 0 485.323 5.356 50 10 JKCARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000100525161 569763769 /nfs/dbraw/zinc/76/37/69/569763769.db2.gz HNMNNQWBCIPMFF-ZFZZVZNFSA-N -1 0 484.379 5.846 50 10 JKCARM CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000100563219 569764777 /nfs/dbraw/zinc/76/47/77/569764777.db2.gz QHWFYTBSNJRPAL-GZTJUZNOSA-N -1 0 468.263 5.129 50 10 JKCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC[C@@H]3c3cccnc3)c2=O)cc1OC ZINC000036592865 569777052 /nfs/dbraw/zinc/77/70/52/569777052.db2.gz IBKPSVLFMZANJP-HSZRJFAPSA-N -1 0 472.541 5.305 50 10 JKCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101113884 569783331 /nfs/dbraw/zinc/78/33/31/569783331.db2.gz RQKSMVUTPGTKPQ-MHWRWJLKSA-N -1 0 458.374 5.847 50 10 JKCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101114212 569783340 /nfs/dbraw/zinc/78/33/40/569783340.db2.gz KCEMWZYPDYJHIO-LICLKQGHSA-N -1 0 458.374 5.847 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Cl)c1O ZINC000038166894 569799749 /nfs/dbraw/zinc/79/97/49/569799749.db2.gz YWRRKPARIFOTMB-NDENLUEZSA-N -1 0 492.915 5.530 50 10 JKCARM Cc1ccc(C)c(N2C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000038184175 569800452 /nfs/dbraw/zinc/80/04/52/569800452.db2.gz NRSKGHWHYFDEAL-QNGOZBTKSA-N -1 0 451.551 6.123 50 10 JKCARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)cc1 ZINC000102762420 569822454 /nfs/dbraw/zinc/82/24/54/569822454.db2.gz MKHNEAQWPHFKIP-FUPPJEDESA-N -1 0 499.350 5.149 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000040567469 569830368 /nfs/dbraw/zinc/83/03/68/569830368.db2.gz OSDUXXDMUOHWCA-SLVCOGOPSA-N -1 0 488.439 5.661 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000103366305 569834795 /nfs/dbraw/zinc/83/47/95/569834795.db2.gz LQIYWXASMPQVEV-GZTJUZNOSA-N -1 0 485.721 5.867 50 10 JKCARM CCCCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)C[C@H](C)CC2 ZINC000044827088 569839399 /nfs/dbraw/zinc/83/93/99/569839399.db2.gz OAMCJYOKHFDLJI-MURKYSCBSA-N -1 0 451.592 5.548 50 10 JKCARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)cc1 ZINC000104251832 569844184 /nfs/dbraw/zinc/84/41/84/569844184.db2.gz CTTOGPAAVKCXEG-KHCICDEESA-N -1 0 464.518 5.151 50 10 JKCARM CC[C@@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1)c1ccccc1 ZINC000050011393 569850305 /nfs/dbraw/zinc/85/03/05/569850305.db2.gz CLBYOZYJQZJHLJ-ZYONOYIQSA-N -1 0 484.537 5.458 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000207336725 569874796 /nfs/dbraw/zinc/87/47/96/569874796.db2.gz SQHRLXILLVVNAB-WOJGMQOQSA-N -1 0 473.743 5.687 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/NC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000220958658 569883625 /nfs/dbraw/zinc/88/36/25/569883625.db2.gz MDBJDNPOWLYEPO-LICLKQGHSA-N -1 0 459.310 5.214 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000239174193 570049223 /nfs/dbraw/zinc/04/92/23/570049223.db2.gz PMEJTYIMDWFGBO-KBAYOESNSA-N -1 0 461.624 5.462 50 10 JKCARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000252460703 570081169 /nfs/dbraw/zinc/08/11/69/570081169.db2.gz HNMNNQWBCIPMFF-LJQANCHMSA-N -1 0 484.379 5.846 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C ZINC000252461689 570081320 /nfs/dbraw/zinc/08/13/20/570081320.db2.gz NLOAUYKEMGUEBH-IBGZPJMESA-N -1 0 468.380 6.064 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C ZINC000252461691 570081285 /nfs/dbraw/zinc/08/12/85/570081285.db2.gz NLOAUYKEMGUEBH-LJQANCHMSA-N -1 0 468.380 6.064 50 10 JKCARM CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(/C=C/c3c(C(=O)[O-])cnc4ncnn43)cc21 ZINC000253496056 570100210 /nfs/dbraw/zinc/10/02/10/570100210.db2.gz ZXIQLEIWRBHVNF-ZRDIBKRKSA-N -1 0 451.530 5.195 50 10 JKCARM O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000000821818 193917559 /nfs/dbraw/zinc/91/75/59/193917559.db2.gz QLTZXVZHXIXXGH-UHFFFAOYSA-N -1 0 479.370 5.051 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc2c(cc1Cl)OCO2 ZINC000001105344 194025403 /nfs/dbraw/zinc/02/54/03/194025403.db2.gz GLWLCBQMYPMONM-RUDMXATFSA-N -1 0 455.706 5.047 50 10 JKCARM Cc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2[O-])cc1 ZINC000001107113 194025896 /nfs/dbraw/zinc/02/58/96/194025896.db2.gz ZPNVMQAMJMBIDG-UHFFFAOYSA-N -1 0 487.986 5.141 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000001138282 194043270 /nfs/dbraw/zinc/04/32/70/194043270.db2.gz PUSWURZZJPNSSL-YBFXNURJSA-N -1 0 483.307 5.785 50 10 JKCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 ZINC000001211364 194071385 /nfs/dbraw/zinc/07/13/85/194071385.db2.gz ZIWGLRNAMKQXPZ-ZHZULCJRSA-N -1 0 498.539 5.091 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)o2)c(Br)c1 ZINC000001299832 194082642 /nfs/dbraw/zinc/08/26/42/194082642.db2.gz ZQMBRMNKUNGDMX-SFQUDFHCSA-N -1 0 467.344 5.689 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001305767 194083007 /nfs/dbraw/zinc/08/30/07/194083007.db2.gz RZRYTFDDUNEIHW-NDENLUEZSA-N -1 0 498.377 5.238 50 10 JKCARM Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(Cl)cc3)c([O-])c3ccccc23)cc1 ZINC000001513790 194127062 /nfs/dbraw/zinc/12/70/62/194127062.db2.gz ZHRVGFAJYRKYAV-UHFFFAOYSA-N -1 0 487.986 5.141 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1 ZINC000001777274 194138364 /nfs/dbraw/zinc/13/83/64/194138364.db2.gz PCSGOCBGSMXHJC-UCQKPKSFSA-N -1 0 470.575 5.794 50 10 JKCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S ZINC000001802018 194142907 /nfs/dbraw/zinc/14/29/07/194142907.db2.gz ODMAKYGGRUSZPS-KWZJRMENSA-N -1 0 466.378 5.164 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000001805159 194143598 /nfs/dbraw/zinc/14/35/98/194143598.db2.gz REYBWBRZKCXMLY-QDDTUJKSSA-N -1 0 480.523 5.190 50 10 JKCARM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1OCc1ccccc1C ZINC000001871069 194151193 /nfs/dbraw/zinc/15/11/93/194151193.db2.gz TUQCSDBSIVPATI-QRVIBDJDSA-N -1 0 491.590 5.687 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000003002970 194199589 /nfs/dbraw/zinc/19/95/89/194199589.db2.gz OHROWFADXBEGGY-VXLYETTFSA-N -1 0 495.850 5.473 50 10 JKCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccnc3)SC2=S)cc1 ZINC000003329586 194284840 /nfs/dbraw/zinc/28/48/40/194284840.db2.gz QIGITPYMIZSHBC-BKUYFWCQSA-N -1 0 484.562 5.038 50 10 JKCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=Cc1c[nH]c2ccc(Br)cc12 ZINC000003464971 194330958 /nfs/dbraw/zinc/33/09/58/194330958.db2.gz BSULVTKMRFJRPE-CQPUUCJISA-N -1 0 495.185 5.909 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000003464486 194331011 /nfs/dbraw/zinc/33/10/11/194331011.db2.gz QQZJNDKMDGRWAI-JMIUGGIZSA-N -1 0 492.919 5.779 50 10 JKCARM O=C([O-])c1cccc(Nc2cc(N3CCCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 ZINC000003742016 194359676 /nfs/dbraw/zinc/35/96/76/194359676.db2.gz UAEULQWANHYLGJ-UHFFFAOYSA-N -1 0 453.498 5.861 50 10 JKCARM C[C@@H]1CCCN(c2cc(Nc3cccc(C(=O)[O-])c3)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000003742046 194359679 /nfs/dbraw/zinc/35/96/79/194359679.db2.gz QIYZLTZRHDPPLN-OAHLLOKOSA-N -1 0 453.498 5.717 50 10 JKCARM CN(C)c1ccc(C(=O)[O-])cc1NC(=O)C1=CC(=NNc2ccccc2Cl)c2ccccc2C1=O ZINC000004044759 194372188 /nfs/dbraw/zinc/37/21/88/194372188.db2.gz HSEMDIXPZOTXRF-QVIHXGFCSA-N -1 0 488.931 6.631 50 10 JKCARM COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1OCc1ccccc1 ZINC000004136157 194380806 /nfs/dbraw/zinc/38/08/06/194380806.db2.gz PVAFNDUVCWNFRG-QNGOZBTKSA-N -1 0 471.600 5.120 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1 ZINC000004209037 194384645 /nfs/dbraw/zinc/38/46/45/194384645.db2.gz MFWJJJXAMGRIEQ-HYARGMPZSA-N -1 0 456.498 5.398 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455538 194453540 /nfs/dbraw/zinc/45/35/40/194453540.db2.gz OYNOMTLDRSZHCB-RBUKOAKNSA-N -1 0 477.667 6.364 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)SC2=S)cc1C ZINC000009187034 194583578 /nfs/dbraw/zinc/58/35/78/194583578.db2.gz VUVRZMMTEFRDHH-RGVLZGJSSA-N -1 0 469.971 6.321 50 10 JKCARM Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)SC1=S ZINC000009310397 194683462 /nfs/dbraw/zinc/68/34/62/194683462.db2.gz VZRZAYZBGPZHSP-VCHYOVAHSA-N -1 0 458.948 5.254 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1C ZINC000009425479 194767285 /nfs/dbraw/zinc/76/72/85/194767285.db2.gz NLOAUYKEMGUEBH-ZFZZVZNFSA-N -1 0 468.380 6.064 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000009933805 195025813 /nfs/dbraw/zinc/02/58/13/195025813.db2.gz VSFPBDWTHACVDT-XFXZXTDPSA-N -1 0 496.133 6.227 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)o1 ZINC000012630561 195062463 /nfs/dbraw/zinc/06/24/63/195062463.db2.gz PKMWCKYDLNEMMF-JAIQZWGSSA-N -1 0 498.354 5.952 50 10 JKCARM COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)cc(Br)c3[O-])C2)cc1 ZINC000020764466 195220319 /nfs/dbraw/zinc/22/03/19/195220319.db2.gz JCCNFTQKAGJJIL-ICSRJNTNSA-N -1 0 482.216 5.432 50 10 JKCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000096247944 130002623 /nfs/dbraw/zinc/00/26/23/130002623.db2.gz BHCJZGHATUCOAI-LSFURLLWSA-N -1 0 494.403 5.345 50 10 JKCARM CC(C)c1ccccc1OCCn1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000013749108 519847257 /nfs/dbraw/zinc/84/72/57/519847257.db2.gz LRHSHLBLYMGDSI-CJLVFECKSA-N -1 0 461.493 5.336 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000033332252 520622601 /nfs/dbraw/zinc/62/26/01/520622601.db2.gz ODMYCICUUVSUNZ-BKUYFWCQSA-N -1 0 462.933 5.088 50 10 JKCARM CCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(OCC)c1 ZINC000016675898 520847943 /nfs/dbraw/zinc/84/79/43/520847943.db2.gz MGPZJJFSLGSZGE-OQLLNIDSSA-N -1 0 465.358 5.462 50 10 JKCARM CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1OCC ZINC000033697782 520852370 /nfs/dbraw/zinc/85/23/70/520852370.db2.gz XBITYXXBMJUJLX-DEDYPNTBSA-N -1 0 457.573 5.368 50 10 JKCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000033685942 520880663 /nfs/dbraw/zinc/88/06/63/520880663.db2.gz MRIZTZSLVFFPTN-AQTBWJFISA-N -1 0 456.340 5.110 50 10 JKCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000016694516 520893068 /nfs/dbraw/zinc/89/30/68/520893068.db2.gz ZMDYGYOOLFDXJL-HMAPJEAMSA-N -1 0 458.470 5.016 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000008617970 520895487 /nfs/dbraw/zinc/89/54/87/520895487.db2.gz PGZITTUQJORWEX-MOSHPQCFSA-N -1 0 492.915 5.670 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc2ccccc21 ZINC000012275740 520896863 /nfs/dbraw/zinc/89/68/63/520896863.db2.gz HXBJGZYIEXRQAE-ZPKNHPDFSA-N -1 0 490.386 6.601 50 10 JKCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000008823935 521125087 /nfs/dbraw/zinc/12/50/87/521125087.db2.gz IKJDNVCADYHHGG-CLXYIWAZSA-N -1 0 460.533 5.008 50 10 JKCARM CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc1 ZINC000018193717 521126489 /nfs/dbraw/zinc/12/64/89/521126489.db2.gz NBAHIDZWUYIKIR-UDWIEESQSA-N -1 0 468.918 5.779 50 10 JKCARM CCCCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000033347339 521265518 /nfs/dbraw/zinc/26/55/18/521265518.db2.gz WGNKBZCKVLWKON-JLPGSUDCSA-N -1 0 492.044 6.762 50 10 JKCARM CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)c1 ZINC000033343661 521381441 /nfs/dbraw/zinc/38/14/41/521381441.db2.gz NVVBMNGZFRBVRR-HMAPJEAMSA-N -1 0 451.592 5.680 50 10 JKCARM CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000004664214 521489213 /nfs/dbraw/zinc/48/92/13/521489213.db2.gz FTOCQRMUNLIJTF-CPNJWEJPSA-N -1 0 478.888 5.281 50 10 JKCARM CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc21)C(=O)[O-] ZINC000002090424 521859913 /nfs/dbraw/zinc/85/99/13/521859913.db2.gz BUOQBVVJGXVRDI-JEOXALJRSA-N -1 0 466.317 5.187 50 10 biogenic JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000015836798 521946610 /nfs/dbraw/zinc/94/66/10/521946610.db2.gz OGPDUUIJLKMCEH-VCHYOVAHSA-N -1 0 496.878 5.279 50 10 JKCARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3cccs3)c(-c3cccs3)s2)c1 ZINC000012525771 522251146 /nfs/dbraw/zinc/25/11/46/522251146.db2.gz ITDZKVYLOYOMHD-UHFFFAOYSA-N -1 0 462.599 5.188 50 10 JKCARM COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000001164114 522255738 /nfs/dbraw/zinc/25/57/38/522255738.db2.gz LWQNPZGMBYMBQB-HYARGMPZSA-N -1 0 487.581 5.169 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1OC ZINC000033417609 523416661 /nfs/dbraw/zinc/41/66/61/523416661.db2.gz GXBRLISUVPZOIY-BKUYFWCQSA-N -1 0 492.915 5.443 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br ZINC000033599315 523417459 /nfs/dbraw/zinc/41/74/59/523417459.db2.gz NWGKYABUIMETSA-WDZFZDKYSA-N -1 0 486.174 5.436 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCCOc4ccccc4Cl)cc3)C2=O)cc1 ZINC000016193610 523962598 /nfs/dbraw/zinc/96/25/98/523962598.db2.gz GSNISQGUURZARK-XLNRJJMWSA-N -1 0 490.943 5.027 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc([C@@H](C)CC)cc3)C2=O)cc1 ZINC000008830153 523963070 /nfs/dbraw/zinc/96/30/70/523963070.db2.gz ATOKWDIIQZKAIK-PJVCEZMGSA-N -1 0 485.584 5.309 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 ZINC000016193647 523963323 /nfs/dbraw/zinc/96/33/23/523963323.db2.gz VUGASFXWWQRVBY-BKUYFWCQSA-N -1 0 495.362 5.801 50 10 JKCARM COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)cc1Cl ZINC000016283245 524382410 /nfs/dbraw/zinc/38/24/10/524382410.db2.gz UUBDFNJMRBNZEO-JAIQZWGSSA-N -1 0 485.970 6.021 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1C ZINC000001182313 524534013 /nfs/dbraw/zinc/53/40/13/524534013.db2.gz ZFVCSRGGEVLYKF-KGENOOAVSA-N -1 0 471.469 5.297 50 10 JKCARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000016115519 524589914 /nfs/dbraw/zinc/58/99/14/524589914.db2.gz CAXWMSYKTSJJMR-JAIQZWGSSA-N -1 0 496.928 5.282 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)cc2)cc1 ZINC000002700651 524628888 /nfs/dbraw/zinc/62/88/88/524628888.db2.gz VILIDXQCUWDJSI-UAPYWLNTSA-N -1 0 475.591 5.601 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)cc2)cc1 ZINC000020131444 524629017 /nfs/dbraw/zinc/62/90/17/524629017.db2.gz FPPSMSXVUUCHHQ-RCCKNPSSSA-N -1 0 455.601 5.420 50 10 JKCARM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000002700602 524631408 /nfs/dbraw/zinc/63/14/08/524631408.db2.gz SDOXFSBAELIPCT-AMCKHAKVSA-N -1 0 475.591 5.601 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(Br)c3[O-])SC2=S)c(C)c1 ZINC000016284801 524915829 /nfs/dbraw/zinc/91/58/29/524915829.db2.gz RUHRGJMWINLPBH-CHHVJCJISA-N -1 0 465.350 5.086 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl ZINC000001163734 524925373 /nfs/dbraw/zinc/92/53/73/524925373.db2.gz YWLUZHJVNDHOSO-CIAFOILYSA-N -1 0 491.887 5.642 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000016609547 524979994 /nfs/dbraw/zinc/97/99/94/524979994.db2.gz SOQQJUCOCSPQGJ-BETUJISGSA-N -1 0 467.871 5.447 50 10 JKCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000002996747 525666439 /nfs/dbraw/zinc/66/64/39/525666439.db2.gz NQOTWNOWIBIGCL-YBFXNURJSA-N -1 0 489.496 6.378 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C(F)(F)F)o2)cc1Cl ZINC000030822643 525742595 /nfs/dbraw/zinc/74/25/95/525742595.db2.gz HBLCYWLNWUWQNR-GZTJUZNOSA-N -1 0 474.822 5.955 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl ZINC000033749788 525743779 /nfs/dbraw/zinc/74/37/79/525743779.db2.gz OKLSQBLSPVWSBM-GZTJUZNOSA-N -1 0 485.721 6.178 50 10 JKCARM C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1)c1ccccc1 ZINC000013940464 525926015 /nfs/dbraw/zinc/92/60/15/525926015.db2.gz RTQMPVNYFCRYPZ-AABCQZNVSA-N -1 0 491.341 5.256 50 10 JKCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C(F)(F)F)o1 ZINC000016347957 526067513 /nfs/dbraw/zinc/06/75/13/526067513.db2.gz DCBBGTHVCVEDFV-WQRHYEAKSA-N -1 0 485.374 5.210 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033332399 526091010 /nfs/dbraw/zinc/09/10/10/526091010.db2.gz QPXOTEOJRWRJHV-NDENLUEZSA-N -1 0 453.926 5.558 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000033293807 526340878 /nfs/dbraw/zinc/34/08/78/526340878.db2.gz GYLHVLGLUVSKHH-VCHYOVAHSA-N -1 0 460.294 6.193 50 10 JKCARM N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN21 ZINC000089259519 526836397 /nfs/dbraw/zinc/83/63/97/526836397.db2.gz QRYKOORWKZWDHY-OAVLBARDSA-N -1 0 475.401 5.535 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000033333148 526946608 /nfs/dbraw/zinc/94/66/08/526946608.db2.gz KDIRYLMZPFCABD-BOPFTXTBSA-N -1 0 458.923 5.895 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000001182320 527045684 /nfs/dbraw/zinc/04/56/84/527045684.db2.gz OKEFXTSIYZRYRS-VXLYETTFSA-N -1 0 495.850 5.473 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000015836717 527046277 /nfs/dbraw/zinc/04/62/77/527046277.db2.gz DQQNVYWUIRGXSX-UDWIEESQSA-N -1 0 477.860 5.334 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000001151135 527046624 /nfs/dbraw/zinc/04/66/24/527046624.db2.gz SBNLTWJAMHCYIK-LDADJPATSA-N -1 0 459.811 5.656 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000001185056 527046909 /nfs/dbraw/zinc/04/69/09/527046909.db2.gz KKJLKRUUAMOOLQ-YBFXNURJSA-N -1 0 493.859 5.040 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000016487658 527047163 /nfs/dbraw/zinc/04/71/63/527047163.db2.gz VUKPYIUBSVFYOA-XSFVSMFZSA-N -1 0 455.901 5.850 50 10 JKCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c-2cc1O ZINC000016225799 527483976 /nfs/dbraw/zinc/48/39/76/527483976.db2.gz SNXZNINDNDNFPX-UHFFFAOYSA-N -1 0 471.421 5.169 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1 ZINC000000634909 553720661 /nfs/dbraw/zinc/72/06/61/553720661.db2.gz IJKNNMOYPFGRDC-HAHDFKILSA-N -1 0 466.497 5.158 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1cccc(F)c1 ZINC000000658586 553737685 /nfs/dbraw/zinc/73/76/85/553737685.db2.gz XXYAHMAKWZFIMM-DEDYPNTBSA-N -1 0 450.466 5.215 50 10 JKCARM COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c1C ZINC000000664819 553741401 /nfs/dbraw/zinc/74/14/01/553741401.db2.gz WEJUNMDVTUUGOR-KGENOOAVSA-N -1 0 487.581 5.169 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000000677942 553751358 /nfs/dbraw/zinc/75/13/58/553751358.db2.gz XVJBAHGCYXCONL-GRSHGNNSSA-N -1 0 487.314 5.182 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000000843195 553793921 /nfs/dbraw/zinc/79/39/21/553793921.db2.gz JVIAXVQLNLMPNS-LPYMAVHISA-N -1 0 492.373 5.140 50 10 JKCARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000000843774 553794501 /nfs/dbraw/zinc/79/45/01/553794501.db2.gz WBTCQOUTKUIRQW-UHFFFAOYSA-N -1 0 479.370 5.051 50 10 JKCARM CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 ZINC000000977443 553889696 /nfs/dbraw/zinc/88/96/96/553889696.db2.gz WBWCGUYIZBLOIX-BUVRLJJBSA-N -1 0 485.540 5.394 50 10 JKCARM CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c1C ZINC000000977370 553889726 /nfs/dbraw/zinc/88/97/26/553889726.db2.gz AYAJAFOCFVIILT-HZHRSRAPSA-N -1 0 473.598 5.645 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)c1 ZINC000000980508 553890791 /nfs/dbraw/zinc/89/07/91/553890791.db2.gz ASIVHRMEKDENBP-CPNJWEJPSA-N -1 0 455.461 5.476 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1OC ZINC000001169978 553922212 /nfs/dbraw/zinc/92/22/12/553922212.db2.gz VNBJYCGVTWDEEF-HYARGMPZSA-N -1 0 472.497 5.098 50 10 JKCARM COc1cccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 ZINC000001265759 553938567 /nfs/dbraw/zinc/93/85/67/553938567.db2.gz JEDZSSXRGXLPMJ-IWIPYMOSSA-N -1 0 499.498 5.375 50 10 JKCARM CCOC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000002051938 554011318 /nfs/dbraw/zinc/01/13/18/554011318.db2.gz JESBGZZJSJXZSM-XMHGGMMESA-N -1 0 453.454 5.005 50 10 JKCARM CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000002053881 554012310 /nfs/dbraw/zinc/01/23/10/554012310.db2.gz WGNKBZCKVLWKON-LFVJCYFKSA-N -1 0 492.044 5.921 50 10 JKCARM CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N(c2ccccc2)C1=S ZINC000002122205 554056610 /nfs/dbraw/zinc/05/66/10/554056610.db2.gz URSPHIJEMUNISG-RGEXLXHISA-N -1 0 494.956 5.252 50 10 JKCARM Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)[N-]N(c2ccccc2)C1=O ZINC000002149730 554068671 /nfs/dbraw/zinc/06/86/71/554068671.db2.gz NWZSSUSLAXNHME-XSFVSMFZSA-N -1 0 483.351 5.221 50 10 JKCARM Cc1ccccc1Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000002198477 554090190 /nfs/dbraw/zinc/09/01/90/554090190.db2.gz OBWJLUBNKRNVNN-UCQKPKSFSA-N -1 0 469.928 5.318 50 10 JKCARM Cc1ccc(OCCn2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 ZINC000002198919 554090408 /nfs/dbraw/zinc/09/04/08/554090408.db2.gz MPOMXLZHRAPIPA-JLPGSUDCSA-N -1 0 499.954 5.349 50 10 JKCARM CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000002247116 554112236 /nfs/dbraw/zinc/11/22/36/554112236.db2.gz GGJWVBYIQXIOLJ-ZHZULCJRSA-N -1 0 495.651 5.327 50 10 JKCARM CCN(CCO)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000002250530 554114638 /nfs/dbraw/zinc/11/46/38/554114638.db2.gz XMXVKPZOLGNJED-NLRVBDNBSA-N -1 0 479.536 5.318 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002251435 554115541 /nfs/dbraw/zinc/11/55/41/554115541.db2.gz PBCDZTDSEAVULY-GZTJUZNOSA-N -1 0 482.246 5.124 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000002261761 554122382 /nfs/dbraw/zinc/12/23/82/554122382.db2.gz DYCUKMDGCQDHOI-WSDLNYQXSA-N -1 0 463.990 6.036 50 10 JKCARM Nc1ccc(Oc2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000002274586 554128498 /nfs/dbraw/zinc/12/84/98/554128498.db2.gz BECZNOCTCOFEEP-UHFFFAOYSA-N -1 0 483.553 5.549 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000002276818 554129113 /nfs/dbraw/zinc/12/91/13/554129113.db2.gz XPAPRANZYMZLRH-LTGZKZEYSA-N -1 0 477.611 5.386 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002281632 554131191 /nfs/dbraw/zinc/13/11/91/554131191.db2.gz PYUNHEMMDHFSBH-LPYMAVHISA-N -1 0 455.901 5.850 50 10 JKCARM CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000002306375 554141903 /nfs/dbraw/zinc/14/19/03/554141903.db2.gz SHCAEYXLJLUHPF-CPNJWEJPSA-N -1 0 464.861 5.283 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002306921 554142204 /nfs/dbraw/zinc/14/22/04/554142204.db2.gz IJCRZORITORAKG-BKUYFWCQSA-N -1 0 490.346 5.663 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000002306920 554142228 /nfs/dbraw/zinc/14/22/28/554142228.db2.gz IJCRZORITORAKG-FYJGNVAPSA-N -1 0 490.346 6.503 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000002355594 554163708 /nfs/dbraw/zinc/16/37/08/554163708.db2.gz PEOXJVAOVCIKAE-GZTJUZNOSA-N -1 0 485.374 5.210 50 10 JKCARM CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000002371070 554170351 /nfs/dbraw/zinc/17/03/51/554170351.db2.gz PNFIGOBGGNQUPG-QNGOZBTKSA-N -1 0 493.610 5.004 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc4ccccc43)C2=O)cc1Cl ZINC000002377718 554174360 /nfs/dbraw/zinc/17/43/60/554174360.db2.gz AQYUHFCCJFIFJR-OEAKJJBVSA-N -1 0 469.928 5.522 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002380065 554175021 /nfs/dbraw/zinc/17/50/21/554175021.db2.gz DPJHHRRIUWHMFL-HAHDFKILSA-N -1 0 469.541 5.218 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002394079 554181086 /nfs/dbraw/zinc/18/10/86/554181086.db2.gz HHZPUKJKZPNIFM-PDGQHHTCSA-N -1 0 454.313 5.067 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002399043 554184634 /nfs/dbraw/zinc/18/46/34/554184634.db2.gz GUIXGUCMCIXXLT-NDENLUEZSA-N -1 0 498.764 5.176 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000002438292 554208696 /nfs/dbraw/zinc/20/86/96/554208696.db2.gz MZYXLSOYCLTUFK-MTJSOVHGSA-N -1 0 483.515 5.253 50 10 JKCARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(SCc3ccccc3)c(O)c3ccccc23)c1 ZINC000002685411 554282713 /nfs/dbraw/zinc/28/27/13/554282713.db2.gz DWRJHKKUMZYLQV-UHFFFAOYSA-N -1 0 481.595 5.656 50 10 JKCARM O=C([O-])COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000002711475 554297387 /nfs/dbraw/zinc/29/73/87/554297387.db2.gz CFMDIDGEPDMCRQ-CHHVJCJISA-N -1 0 473.881 5.228 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl ZINC000002810460 554360149 /nfs/dbraw/zinc/36/01/49/554360149.db2.gz LRYWBXWQVDGJMW-GRSHGNNSSA-N -1 0 457.866 5.674 50 10 JKCARM CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000002818955 554364001 /nfs/dbraw/zinc/36/40/01/554364001.db2.gz XKLGGNBXZDZEME-PXLXIMEGSA-N -1 0 459.929 5.904 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000002878807 554400654 /nfs/dbraw/zinc/40/06/54/554400654.db2.gz GKYICJPKQOVFQI-GZTJUZNOSA-N -1 0 483.889 5.188 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OC)C(=O)[N-]C2=S)cc1 ZINC000006481619 554545480 /nfs/dbraw/zinc/54/54/80/554545480.db2.gz SCIBOGDZFCMUSK-GZTJUZNOSA-N -1 0 463.386 5.176 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)cc1 ZINC000006481621 554545490 /nfs/dbraw/zinc/54/54/90/554545490.db2.gz GCSUYAZIWJHPAJ-JJIBRWJFSA-N -1 0 463.647 5.784 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 ZINC000006906960 554561746 /nfs/dbraw/zinc/56/17/46/554561746.db2.gz SWGJZMPXZABMBS-DEDYPNTBSA-N -1 0 462.889 5.434 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000006975266 554563139 /nfs/dbraw/zinc/56/31/39/554563139.db2.gz JPWIGHZPMJESLL-VCHYOVAHSA-N -1 0 457.269 5.045 50 10 JKCARM Cc1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000008739257 554640964 /nfs/dbraw/zinc/64/09/64/554640964.db2.gz LTLBSBKAERQJHJ-KGENOOAVSA-N -1 0 463.921 5.344 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 ZINC000008741493 554643981 /nfs/dbraw/zinc/64/39/81/554643981.db2.gz YMPOYQOXMZSAAY-DUYBAWCLSA-N -1 0 495.554 6.849 50 10 JKCARM COc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl ZINC000008743419 554646152 /nfs/dbraw/zinc/64/61/52/554646152.db2.gz AXQYLURZSIUZBQ-LFIBNONCSA-N -1 0 457.269 5.769 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000008744347 554647444 /nfs/dbraw/zinc/64/74/44/554647444.db2.gz UDNADLQZIVYVEI-IWIPYMOSSA-N -1 0 465.509 5.513 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 ZINC000008809462 554688234 /nfs/dbraw/zinc/68/82/34/554688234.db2.gz XPBWURPOHQGIJK-JYFHCDHNSA-N -1 0 495.793 7.748 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008818233 554701915 /nfs/dbraw/zinc/70/19/15/554701915.db2.gz OSJNSCPOIRLYLY-ODLFYWEKSA-N -1 0 484.408 5.952 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1 ZINC000008830151 554720090 /nfs/dbraw/zinc/72/00/90/554720090.db2.gz QHPNSYORODDNQJ-SWYXWEQBSA-N -1 0 471.557 5.055 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008856639 554752816 /nfs/dbraw/zinc/75/28/16/554752816.db2.gz WNUUYMPQYIXGBN-MHWRWJLKSA-N -1 0 461.688 5.778 50 10 JKCARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(SCc3ccco3)c(O)c3ccccc23)c1 ZINC000008870839 554765643 /nfs/dbraw/zinc/76/56/43/554765643.db2.gz USUADWIGNRSHHB-UHFFFAOYSA-N -1 0 471.556 5.249 50 10 JKCARM Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000008916105 554810314 /nfs/dbraw/zinc/81/03/14/554810314.db2.gz QRTXLJLGCDLIJG-KQWNVCNZSA-N -1 0 490.943 5.081 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2Cl)cc1 ZINC000008915975 554810320 /nfs/dbraw/zinc/81/03/20/554810320.db2.gz GRGMQHINZUFGLA-HMMYKYKNSA-N -1 0 497.334 5.118 50 10 JKCARM N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000008952064 554835415 /nfs/dbraw/zinc/83/54/15/554835415.db2.gz MOTHLVODTZZKQW-QDLOHUEYSA-N -1 0 488.550 5.155 50 10 JKCARM COC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2-c2ccccc2)cc1 ZINC000008997364 554858983 /nfs/dbraw/zinc/85/89/83/554858983.db2.gz LVJDWGNEJDGHTR-UHFFFAOYSA-N -1 0 491.503 5.188 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009015876 554865939 /nfs/dbraw/zinc/86/59/39/554865939.db2.gz JPCHMNOAZGXBQW-LTGZKZEYSA-N -1 0 471.557 5.450 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000009075948 554887157 /nfs/dbraw/zinc/88/71/57/554887157.db2.gz RRGNPUHOAMNUIZ-XWCAUFEOSA-N -1 0 459.458 5.035 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 ZINC000009076548 554887826 /nfs/dbraw/zinc/88/78/26/554887826.db2.gz RLABNPZMHZUNFR-FIOJILPZSA-N -1 0 491.591 6.178 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1 ZINC000009076610 554887884 /nfs/dbraw/zinc/88/78/84/554887884.db2.gz BREAUOGVGZBHEZ-GGMUZDTOSA-N -1 0 469.585 5.891 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1 ZINC000009076598 554887903 /nfs/dbraw/zinc/88/79/03/554887903.db2.gz IJMKHQVXOQGPBH-CXJVOSNZSA-N -1 0 471.557 5.283 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009087896 554889754 /nfs/dbraw/zinc/88/97/54/554889754.db2.gz SGQYHYFKHBBQPA-HAVVHWLPSA-N -1 0 453.567 5.311 50 10 JKCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1 ZINC000009090018 554890894 /nfs/dbraw/zinc/89/08/94/554890894.db2.gz DKGROZPCUUFPHV-KOEQRZSOSA-N -1 0 481.552 5.150 50 10 JKCARM Cc1ccccc1OCCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000009144476 554936053 /nfs/dbraw/zinc/93/60/53/554936053.db2.gz IRIUTNJONUCAHT-KQWNVCNZSA-N -1 0 499.954 5.349 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000009170518 554953417 /nfs/dbraw/zinc/95/34/17/554953417.db2.gz QPBIJCIODGKORW-BOPFTXTBSA-N -1 0 455.239 5.355 50 10 JKCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1 ZINC000009232779 555005306 /nfs/dbraw/zinc/00/53/06/555005306.db2.gz CHBVOWWSRYPQOZ-VXLYETTFSA-N -1 0 484.873 5.443 50 10 JKCARM Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000009233511 555006446 /nfs/dbraw/zinc/00/64/46/555006446.db2.gz AIJLYAVPHFITKU-UFFVCSGVSA-N -1 0 484.936 5.821 50 10 JKCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc54)C3=O)o2)c1 ZINC000009234499 555008037 /nfs/dbraw/zinc/00/80/37/555008037.db2.gz GHCWGDFWPJLZBR-LPYMAVHISA-N -1 0 491.977 6.857 50 10 JKCARM N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000009281335 555050624 /nfs/dbraw/zinc/05/06/24/555050624.db2.gz CHIQYHWLECAXRY-OQZKWKKUSA-N -1 0 476.558 5.624 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c([N+](=O)[O-])c3)SC2=S)c(C)c1 ZINC000009296612 555073529 /nfs/dbraw/zinc/07/35/29/555073529.db2.gz PLASDSQJWBHIEZ-OVCLIPMQSA-N -1 0 465.350 5.086 50 10 JKCARM CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC ZINC000009309894 555085417 /nfs/dbraw/zinc/08/54/17/555085417.db2.gz MLGFRRBRJSMKTF-AUWJEWJLSA-N -1 0 493.741 5.014 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009310954 555087291 /nfs/dbraw/zinc/08/72/91/555087291.db2.gz WNUUYMPQYIXGBN-YBEGLDIGSA-N -1 0 461.688 5.573 50 10 JKCARM COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C(=O)[N-]C2=S)cc1 ZINC000009311140 555087588 /nfs/dbraw/zinc/08/75/88/555087588.db2.gz GWIZLNNQDVQQCB-ONUIUJJFSA-N -1 0 494.572 5.259 50 10 JKCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccccc3C(F)(F)F)c2C)C1=O ZINC000009311857 555088252 /nfs/dbraw/zinc/08/82/52/555088252.db2.gz QIVJUZWSVJEASN-XMHGGMMESA-N -1 0 481.474 5.342 50 10 JKCARM COc1ccccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C ZINC000009312873 555088762 /nfs/dbraw/zinc/08/87/62/555088762.db2.gz CTNRYBHODZPGBR-UNOMPAQXSA-N -1 0 463.921 5.571 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCCOc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000009424418 555188934 /nfs/dbraw/zinc/18/89/34/555188934.db2.gz DFZXBMIEGVERPK-STZFKDTASA-N -1 0 498.366 5.239 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000009432070 555201028 /nfs/dbraw/zinc/20/10/28/555201028.db2.gz ORHKKGCWIBBNSZ-ZHTGWBIJSA-N -1 0 496.394 6.023 50 10 JKCARM N=C1/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN21 ZINC000009460881 555228357 /nfs/dbraw/zinc/22/83/57/555228357.db2.gz NAOMUTGIALXJCJ-QDLOHUEYSA-N -1 0 488.550 5.155 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000009466074 555241584 /nfs/dbraw/zinc/24/15/84/555241584.db2.gz PHCZCHXOXGVPNR-UCQKPKSFSA-N -1 0 478.017 5.702 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CCOc4ccccc4C)c4ccccc34)C2=O)cc1 ZINC000009477401 555258158 /nfs/dbraw/zinc/25/81/58/555258158.db2.gz BTYBCGQJGGIUQC-BWAHOGKJSA-N -1 0 493.563 5.258 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000009478029 555259737 /nfs/dbraw/zinc/25/97/37/555259737.db2.gz BXURNAONIBVMOF-OVZSPSEASA-N -1 0 477.564 5.870 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000009659828 555363723 /nfs/dbraw/zinc/36/37/23/555363723.db2.gz JNUQTZWUZQZNPX-MOSHPQCFSA-N -1 0 467.308 5.239 50 10 JKCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013616181 555536261 /nfs/dbraw/zinc/53/62/61/555536261.db2.gz VWZVHMZAOHZZFK-NDENLUEZSA-N -1 0 454.313 5.067 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000013660551 555556220 /nfs/dbraw/zinc/55/62/20/555556220.db2.gz PHTSKGICYHVTJB-UYRXBGFRSA-N -1 0 452.919 5.313 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000013661211 555556597 /nfs/dbraw/zinc/55/65/97/555556597.db2.gz OVYGPYPPALXMTK-XYLCRUHJSA-N -1 0 461.949 5.370 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000013686687 555580326 /nfs/dbraw/zinc/58/03/26/555580326.db2.gz PXDTXHUJLGWLRX-MOSHPQCFSA-N -1 0 468.340 5.072 50 10 JKCARM Cc1cc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl ZINC000013751192 555609496 /nfs/dbraw/zinc/60/94/96/555609496.db2.gz LBVUNMVSXZOKSW-XSFVSMFZSA-N -1 0 467.884 5.175 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000013757951 555611631 /nfs/dbraw/zinc/61/16/31/555611631.db2.gz RHKOOZHNIQVXET-NDENLUEZSA-N -1 0 470.381 6.073 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000013775006 555615759 /nfs/dbraw/zinc/61/57/59/555615759.db2.gz KMIPBTTVMRIDDA-HYARGMPZSA-N -1 0 460.411 5.678 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000013785945 555618745 /nfs/dbraw/zinc/61/87/45/555618745.db2.gz LYLMIHKZXRFOET-PDGQHHTCSA-N -1 0 497.916 5.579 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000013786025 555618840 /nfs/dbraw/zinc/61/88/40/555618840.db2.gz KAPPXOMFUXQHDL-ONUIUJJFSA-N -1 0 495.966 6.921 50 10 JKCARM Cc1ccccc1N1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000013799576 555620757 /nfs/dbraw/zinc/62/07/57/555620757.db2.gz XIFQFLZCEOOSAS-PXLXIMEGSA-N -1 0 494.576 5.260 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000013801685 555621769 /nfs/dbraw/zinc/62/17/69/555621769.db2.gz OROKPJLKUBUDPE-BOPFTXTBSA-N -1 0 475.378 5.569 50 10 JKCARM CCCCOC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013809806 555624481 /nfs/dbraw/zinc/62/44/81/555624481.db2.gz CEGQILCMDIPCAN-QNGOZBTKSA-N -1 0 492.915 5.428 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000013810211 555625102 /nfs/dbraw/zinc/62/51/02/555625102.db2.gz APRGYPOHPLUEEI-BOPFTXTBSA-N -1 0 471.694 5.869 50 10 JKCARM Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 ZINC000013810576 555625823 /nfs/dbraw/zinc/62/58/23/555625823.db2.gz PVAWLDRXZPCZCP-MYYYXRDXSA-N -1 0 463.537 5.486 50 10 JKCARM Cc1cccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 ZINC000013893771 555641512 /nfs/dbraw/zinc/64/15/12/555641512.db2.gz ZPVLBLLLHIGFAL-XQNSMLJCSA-N -1 0 476.916 5.613 50 10 JKCARM Cc1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013894363 555641852 /nfs/dbraw/zinc/64/18/52/555641852.db2.gz MGZVXROACZTPAG-CJLVFECKSA-N -1 0 476.916 5.613 50 10 JKCARM COc1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013898536 555645162 /nfs/dbraw/zinc/64/51/62/555645162.db2.gz GZKUMTUMUYBWFQ-LTGZKZEYSA-N -1 0 492.915 5.313 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000013942221 555653314 /nfs/dbraw/zinc/65/33/14/555653314.db2.gz XHLFTNIUKDLCCN-FTGFMQHASA-N -1 0 454.353 5.756 50 10 JKCARM Cc1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1C ZINC000013942331 555653337 /nfs/dbraw/zinc/65/33/37/555653337.db2.gz SBEDZHFZPWHGIV-JLPGSUDCSA-N -1 0 490.943 5.081 50 10 JKCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000010232798 555657467 /nfs/dbraw/zinc/65/74/67/555657467.db2.gz IKJDNVCADYHHGG-GZQZNAIASA-N -1 0 460.533 5.008 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S ZINC000010232833 555657538 /nfs/dbraw/zinc/65/75/38/555657538.db2.gz QPDSSHJJXVWYJS-KWZJRMENSA-N -1 0 487.546 5.373 50 10 JKCARM COC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020223821 555717708 /nfs/dbraw/zinc/71/77/08/555717708.db2.gz CIWHLWHQJZAMKG-RQZHXJHFSA-N -1 0 458.318 5.818 50 10 JKCARM Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000014165941 555718301 /nfs/dbraw/zinc/71/83/01/555718301.db2.gz HRSRIHYHMPVJRL-SLSDLSHTSA-N -1 0 460.555 5.321 50 10 JKCARM O=C([O-])c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014165996 555718662 /nfs/dbraw/zinc/71/86/62/555718662.db2.gz YOIPRVFBDLXVCK-IMWIBFENSA-N -1 0 464.518 5.151 50 10 JKCARM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C1=O ZINC000020238463 555732111 /nfs/dbraw/zinc/73/21/11/555732111.db2.gz FUSMTCQJFYJEHT-VULIGXMUSA-N -1 0 468.534 6.647 50 10 JKCARM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C1=O ZINC000020238460 555732122 /nfs/dbraw/zinc/73/21/22/555732122.db2.gz FUSMTCQJFYJEHT-DBZAVIBRSA-N -1 0 468.534 6.647 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4cccc5ccccc54)o3)C2=O)cc1 ZINC000020238502 555732171 /nfs/dbraw/zinc/73/21/71/555732171.db2.gz IFNQFCZVOUZOSF-QNGOZBTKSA-N -1 0 470.506 6.099 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(SC2CCCCC2)o1 ZINC000020238535 555732256 /nfs/dbraw/zinc/73/22/56/555732256.db2.gz KFSCOAHUZKKVAU-ATVHPVEESA-N -1 0 475.364 5.974 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1Cl ZINC000020238592 555732469 /nfs/dbraw/zinc/73/24/69/555732469.db2.gz URZLODAZXNREBP-VBKFSLOCSA-N -1 0 460.939 5.873 50 10 JKCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000022145951 555881465 /nfs/dbraw/zinc/88/14/65/555881465.db2.gz NFXXSEUATYBIKE-WOJGMQOQSA-N -1 0 467.890 5.059 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000022310678 555920011 /nfs/dbraw/zinc/92/00/11/555920011.db2.gz AUKRTYHZUJRGBK-HAHDFKILSA-N -1 0 488.515 5.032 50 10 JKCARM O=C([O-])c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)ccc1Cl ZINC000012376979 555965016 /nfs/dbraw/zinc/96/50/16/555965016.db2.gz RSLFQCNAOMQAIH-WJDWOHSUSA-N -1 0 460.795 5.647 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cccc(Br)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000015799614 556007770 /nfs/dbraw/zinc/00/77/70/556007770.db2.gz QASBDONAYVWLNP-GZTJUZNOSA-N -1 0 496.273 5.432 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(OC)c1 ZINC000015799893 556008411 /nfs/dbraw/zinc/00/84/11/556008411.db2.gz ANKDJNMVANAZIG-FYJGNVAPSA-N -1 0 492.915 5.443 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OC ZINC000015821403 556009921 /nfs/dbraw/zinc/00/99/21/556009921.db2.gz GQLYJQSCCOCYSI-HZHRSRAPSA-N -1 0 486.524 5.488 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F ZINC000015837172 556020841 /nfs/dbraw/zinc/02/08/41/556020841.db2.gz IVGTXMLWPDIUEX-YBFXNURJSA-N -1 0 480.879 5.573 50 10 JKCARM CCCn1c(CCc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2)nc2ccccc21 ZINC000015870746 556050922 /nfs/dbraw/zinc/05/09/22/556050922.db2.gz WXRGCVZEXKPLRB-UHFFFAOYSA-N -1 0 477.615 5.037 50 10 JKCARM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])SC(=S)N1C1CCCCC1 ZINC000023410845 556052227 /nfs/dbraw/zinc/05/22/27/556052227.db2.gz IWNWDEWGPXTJQD-QPEQYQDCSA-N -1 0 477.243 5.451 50 10 JKCARM CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000015930804 556070000 /nfs/dbraw/zinc/07/00/00/556070000.db2.gz UPALKAJHSPOJFB-ZDLGFXPLSA-N -1 0 487.350 5.141 50 10 JKCARM C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015947459 556085458 /nfs/dbraw/zinc/08/54/58/556085458.db2.gz CKOTZNITJSGSJB-NZFNHWASSA-N -1 0 472.202 5.532 50 10 JKCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000016944757 556182611 /nfs/dbraw/zinc/18/26/11/556182611.db2.gz PUGFUVGMYMHQQU-WQRHYEAKSA-N -1 0 451.822 5.323 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017045028 556210697 /nfs/dbraw/zinc/21/06/97/556210697.db2.gz AWGGUJXPOMWILD-GZTJUZNOSA-N -1 0 498.314 5.289 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)[N-]C2=S)c1C ZINC000017197022 556238408 /nfs/dbraw/zinc/23/84/08/556238408.db2.gz PAESNWPRGRLMSE-XDHOZWIPSA-N -1 0 474.498 5.071 50 10 JKCARM Cc1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000017197016 556238417 /nfs/dbraw/zinc/23/84/17/556238417.db2.gz FGDKHBDZLPJQRM-KGENOOAVSA-N -1 0 477.948 5.017 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000017197486 556238948 /nfs/dbraw/zinc/23/89/48/556238948.db2.gz QQOOOJBVAOBYQN-MYYYXRDXSA-N -1 0 475.504 5.302 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C2=O)c1 ZINC000027527826 556289668 /nfs/dbraw/zinc/28/96/68/556289668.db2.gz WZTZVKIXUVQQQW-PLRJNAJWSA-N -1 0 498.579 6.257 50 10 JKCARM CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c2)c1 ZINC000027527823 556289706 /nfs/dbraw/zinc/28/97/06/556289706.db2.gz IQMZHVCXAKZMSH-ITYLOYPMSA-N -1 0 484.552 5.830 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 ZINC000027527825 556289755 /nfs/dbraw/zinc/28/97/55/556289755.db2.gz OVMDWKMMCFSTOG-PLRJNAJWSA-N -1 0 498.579 6.257 50 10 JKCARM O=C(NCc1ccccc1)c1c([N-]S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000018195152 556302385 /nfs/dbraw/zinc/30/23/85/556302385.db2.gz YTPKKMCEUAHVHH-UHFFFAOYSA-N -1 0 461.008 5.011 50 10 JKCARM O=[N+]([O-])c1ccc([O-])c(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1 ZINC000019333503 556342467 /nfs/dbraw/zinc/34/24/67/556342467.db2.gz GTIZETMDZSHCJJ-UHFFFAOYSA-N -1 0 458.345 5.624 50 10 JKCARM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019791551 556370702 /nfs/dbraw/zinc/37/07/02/556370702.db2.gz XZUWPKSJPCCULQ-GJZGRUSLSA-N -1 0 463.452 5.227 50 10 biogenic JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc32)C[C@@H](C)O1 ZINC000019791825 556371051 /nfs/dbraw/zinc/37/10/51/556371051.db2.gz AENRHFJPARHXSA-CHWSQXEVSA-N -1 0 467.871 5.447 50 10 JKCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4cccc5ccccc54)c(C(F)(F)F)oc32)CC1 ZINC000019791782 556371130 /nfs/dbraw/zinc/37/11/30/556371130.db2.gz FULZUJRWKMZMNZ-UHFFFAOYSA-N -1 0 468.475 5.085 50 10 JKCARM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000019793047 556372399 /nfs/dbraw/zinc/37/23/99/556372399.db2.gz XOOJCFHQWJTIQF-HUUCEWRRSA-N -1 0 477.479 5.481 50 10 JKCARM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN4C[C@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)c1 ZINC000019793132 556372506 /nfs/dbraw/zinc/37/25/06/556372506.db2.gz NPFRDHZCEKVJIL-HOTGVXAUSA-N -1 0 477.479 5.536 50 10 JKCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4cc(C)ccc4C)c(C(F)(F)F)oc32)CC1 ZINC000019793130 556372710 /nfs/dbraw/zinc/37/27/10/556372710.db2.gz NSMOAZCTTADGQP-UHFFFAOYSA-N -1 0 476.495 5.064 50 10 JKCARM CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@@H](C)O[C@H](C)C3)c2oc1C(F)(F)F ZINC000019793163 556372734 /nfs/dbraw/zinc/37/27/34/556372734.db2.gz QSIZQPJHUOIPMR-HUUCEWRRSA-N -1 0 493.478 5.318 50 10 JKCARM Cc1ccccc1Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000019798992 556376076 /nfs/dbraw/zinc/37/60/76/556376076.db2.gz APEGBXOLABLNLO-OYKKKHCWSA-N -1 0 484.602 6.102 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032594037 556448523 /nfs/dbraw/zinc/44/85/23/556448523.db2.gz VBOLMECFMQVXEQ-OQKWZONESA-N -1 0 489.634 6.882 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000032694358 556471723 /nfs/dbraw/zinc/47/17/23/556471723.db2.gz QWRYEAOYHDHZGG-QJUACMODSA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000032694347 556471753 /nfs/dbraw/zinc/47/17/53/556471753.db2.gz AOFJYOOACGLUCU-XSFVSMFZSA-N -1 0 476.019 5.765 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000032694362 556471931 /nfs/dbraw/zinc/47/19/31/556471931.db2.gz VWEOZURNEMTWJL-QJUACMODSA-N -1 0 496.009 5.946 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)cc2)cc1 ZINC000032694364 556471967 /nfs/dbraw/zinc/47/19/67/556471967.db2.gz VILIDXQCUWDJSI-VKIDYWOHSA-N -1 0 475.591 5.601 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S ZINC000028363384 563061854 /nfs/dbraw/zinc/06/18/54/563061854.db2.gz OOENNZREZDKUHB-UCQKPKSFSA-N -1 0 491.590 5.130 50 10 JKCARM O=c1c(-c2ccc(Cl)cc2)coc2c1ccc([O-])c2CN(Cc1ccccc1)Cc1ccccc1 ZINC000054219550 569589480 /nfs/dbraw/zinc/58/94/80/569589480.db2.gz CJKUWAOOOBJDDN-UHFFFAOYSA-N -1 0 481.979 7.021 50 10 biogenic JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455536 569591709 /nfs/dbraw/zinc/59/17/09/569591709.db2.gz OYNOMTLDRSZHCB-OALUTQOASA-N -1 0 477.667 6.364 50 10 JKCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1[C@H]3CC[C@H](O3)[C@@H]1C(=O)[O-])CCCCCCCCCCC2 ZINC000008455469 569591723 /nfs/dbraw/zinc/59/17/23/569591723.db2.gz NVYIPSZLOYKJNT-OSZJIOELSA-N -1 0 491.650 5.351 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455537 569591736 /nfs/dbraw/zinc/59/17/36/569591736.db2.gz OYNOMTLDRSZHCB-RTBURBONSA-N -1 0 477.667 6.364 50 10 JKCARM Cc1nn(Cc2ccccc2Cl)c(C)c1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000008721673 569598710 /nfs/dbraw/zinc/59/87/10/569598710.db2.gz WYMFCGHELFTUCE-UDWIEESQSA-N -1 0 464.978 5.182 50 10 JKCARM COc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000032969719 569603483 /nfs/dbraw/zinc/60/34/83/569603483.db2.gz MJQUHJIPIMGTIL-YVLHZVERSA-N -1 0 467.821 5.024 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S ZINC000033921425 569637580 /nfs/dbraw/zinc/63/75/80/569637580.db2.gz DUXYOSBLTBOEQB-QGOAFFKASA-N -1 0 474.475 6.790 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1 ZINC000035228244 569678612 /nfs/dbraw/zinc/67/86/12/569678612.db2.gz GGFQJGDPURNHAR-DEDYPNTBSA-N -1 0 480.387 5.528 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC ZINC000083293512 569708377 /nfs/dbraw/zinc/70/83/77/569708377.db2.gz UXXXFCGEVJYIHC-YBEGLDIGSA-N -1 0 489.391 5.227 50 10 JKCARM O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(O)c(O)c3)c12 ZINC000085877566 569716158 /nfs/dbraw/zinc/71/61/58/569716158.db2.gz HGXYYNAXCDJJLF-UHFFFAOYSA-N -1 0 461.474 5.009 50 10 biogenic JKCARM COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)ccc1OC(C)C ZINC000085880047 569716510 /nfs/dbraw/zinc/71/65/10/569716510.db2.gz SZPQPXJKQLQWNR-UHFFFAOYSA-N -1 0 489.528 5.613 50 10 biogenic JKCARM COC(=O)c1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000095473086 569723896 /nfs/dbraw/zinc/72/38/96/569723896.db2.gz JSTWPSMWGRLUMA-UHFFFAOYSA-N -1 0 459.458 5.016 50 10 JKCARM COc1ccc([C@@H]2CC(=O)Oc3c(O)c([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C ZINC000096114778 569733794 /nfs/dbraw/zinc/73/37/94/569733794.db2.gz FTGKRIGUKLIEHI-KRWDZBQOSA-N -1 0 488.492 5.108 50 10 biogenic JKCARM O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@H](c2ccccc2Br)CC(=O)O1 ZINC000096115847 569734867 /nfs/dbraw/zinc/73/48/67/569734867.db2.gz IPCNHNKEHXRZQS-AWEZNQCLSA-N -1 0 479.282 5.075 50 10 biogenic JKCARM COC(=O)C[C@@H](c1ccccc1OC(C)C)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222538 569739600 /nfs/dbraw/zinc/73/96/00/569739600.db2.gz YBXYFJIDZPHMMJ-SFHVURJKSA-N -1 0 490.508 5.059 50 10 biogenic JKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000097402263 569744932 /nfs/dbraw/zinc/74/49/32/569744932.db2.gz MVBIHCJQEIQAFN-MHWRWJLKSA-N -1 0 461.736 5.653 50 10 JKCARM Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1 ZINC000098087014 569750589 /nfs/dbraw/zinc/75/05/89/569750589.db2.gz WNRVSDGFQCLGJM-JMIUGGIZSA-N -1 0 471.893 5.982 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000100148018 569753844 /nfs/dbraw/zinc/75/38/44/569753844.db2.gz QYIZCZQLIXJZOX-XDHOZWIPSA-N -1 0 451.276 5.213 50 10 JKCARM CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)[O-] ZINC000100147721 569753856 /nfs/dbraw/zinc/75/38/56/569753856.db2.gz QKNOXQBHHBFRFU-VGOFMYFVSA-N -1 0 484.133 5.025 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000100148207 569754010 /nfs/dbraw/zinc/75/40/10/569754010.db2.gz VPWZVMHBBIJQRR-XDHOZWIPSA-N -1 0 451.276 5.213 50 10 JKCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000100500800 569762691 /nfs/dbraw/zinc/76/26/91/569762691.db2.gz GUTJMNPNHSNISK-DHDCSXOGSA-N -1 0 464.765 5.884 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000100506245 569763095 /nfs/dbraw/zinc/76/30/95/569763095.db2.gz GTMJERUWIUFJHV-QBKUVYRMSA-N -1 0 479.565 6.225 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100505626 569763101 /nfs/dbraw/zinc/76/31/01/569763101.db2.gz BNUWUJJQRURBKS-IUBFCHALSA-N -1 0 499.350 5.664 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000100524787 569763656 /nfs/dbraw/zinc/76/36/56/569763656.db2.gz YUCZAXYPECJRNF-IUBFCHALSA-N -1 0 454.353 5.756 50 10 JKCARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cc(Cl)ccc4Cl)c3=O)n2)cc1 ZINC000100524939 569763664 /nfs/dbraw/zinc/76/36/64/569763664.db2.gz PHZQEYIVEXRNDS-PZPYUUCDSA-N -1 0 460.346 6.001 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1 ZINC000100525216 569763776 /nfs/dbraw/zinc/76/37/76/569763776.db2.gz AFLKVIDHAOYYLC-LRDZBDLTSA-N -1 0 474.771 6.101 50 10 JKCARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000100525176 569763797 /nfs/dbraw/zinc/76/37/97/569763797.db2.gz KKKBUWYNHKPHSO-FTGFMQHASA-N -1 0 470.352 5.456 50 10 JKCARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000100926157 569776027 /nfs/dbraw/zinc/77/60/27/569776027.db2.gz RQKSMVUTPGTKPQ-YBEGLDIGSA-N -1 0 458.374 5.847 50 10 JKCARM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000100967920 569778029 /nfs/dbraw/zinc/77/80/29/569778029.db2.gz VMPUEXXRXTXYAM-KNTRCKAVSA-N -1 0 489.000 7.241 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000038169959 569799712 /nfs/dbraw/zinc/79/97/12/569799712.db2.gz ZIAJXUCUJIKKPP-WZUFQYTHSA-N -1 0 455.681 5.258 50 10 JKCARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)c(C)c1 ZINC000102762149 569822213 /nfs/dbraw/zinc/82/22/13/569822213.db2.gz CBAPORZLOWXHFY-FUPPJEDESA-N -1 0 483.351 5.367 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000040567534 569830326 /nfs/dbraw/zinc/83/03/26/569830326.db2.gz CWRAKNDVGNHLQM-CIKBWMHTSA-N -1 0 488.439 5.661 50 10 JKCARM O=c1c(C=Nc2ccccc2-c2ccccc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000103538221 569836005 /nfs/dbraw/zinc/83/60/05/569836005.db2.gz CFHPSBPHYMCLED-VKAVYKQESA-N -1 0 464.472 6.224 50 10 JKCARM CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000103884972 569838702 /nfs/dbraw/zinc/83/87/02/569838702.db2.gz FZWIJWOWWRAMKY-VQIPHFLVSA-N -1 0 494.638 5.803 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000137918384 569865445 /nfs/dbraw/zinc/86/54/45/569865445.db2.gz NGSZVKITUOELLM-QKNQBKEWSA-N -1 0 489.742 5.404 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(c1ccccc1)c1ccccc1)N2 ZINC000217684475 569880998 /nfs/dbraw/zinc/88/09/98/569880998.db2.gz DRIKHERJCMUCBX-IWHLBADBSA-N -1 0 452.554 5.177 50 10 JKCARM CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1 ZINC000226791802 570038617 /nfs/dbraw/zinc/03/86/17/570038617.db2.gz HRNHLSMYFXVRRX-JQYIIUTOSA-N -1 0 491.569 5.621 50 10 JKCARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1=O ZINC000230033115 570043731 /nfs/dbraw/zinc/04/37/31/570043731.db2.gz PROHNLRRZLTDRT-QZNHQXDQSA-N -1 0 499.350 5.149 50 10 JKCARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)cc1 ZINC000252460142 570081222 /nfs/dbraw/zinc/08/12/22/570081222.db2.gz BZZAOKJCSFWLTI-IBGZPJMESA-N -1 0 484.379 5.846 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000252460742 570081231 /nfs/dbraw/zinc/08/12/31/570081231.db2.gz HVJQAUZCMCXXCG-GOSISDBHSA-N -1 0 454.353 5.756 50 10 JKCARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c1=O ZINC000252461089 570081341 /nfs/dbraw/zinc/08/13/41/570081341.db2.gz KKKBUWYNHKPHSO-GOSISDBHSA-N -1 0 470.352 5.456 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000252463083 570081470 /nfs/dbraw/zinc/08/14/70/570081470.db2.gz YUCZAXYPECJRNF-GOSISDBHSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c(Br)c1 ZINC000252463084 570081473 /nfs/dbraw/zinc/08/14/73/570081473.db2.gz YUCZAXYPECJRNF-SFHVURJKSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000252636335 570089962 /nfs/dbraw/zinc/08/99/62/570089962.db2.gz XHLFTNIUKDLCCN-GOSISDBHSA-N -1 0 454.353 5.756 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1N=Nc1c(Nc2ccccc2)ccc2cc(S(=O)(=O)[O-])cc(O)c21 ZINC000257347928 570152283 /nfs/dbraw/zinc/15/22/83/570152283.db2.gz ZKKXWYBZRLNAQS-UHFFFAOYSA-N -1 0 494.485 5.868 50 10 JKCARM COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)c(OC)c1 ZINC000000661700 193883103 /nfs/dbraw/zinc/88/31/03/193883103.db2.gz ZGKVVYVEEOUDNJ-DEDYPNTBSA-N -1 0 467.591 5.299 50 10 JKCARM O=C1[N-]C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001105138 194025397 /nfs/dbraw/zinc/02/53/97/194025397.db2.gz AZMQGIPGQHEJSS-PCLIKHOPSA-N -1 0 463.537 6.088 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(Cc4ccc(F)cc4)c4ccc(C)cc34)C2=O)cc1 ZINC000001127987 194037309 /nfs/dbraw/zinc/03/73/09/194037309.db2.gz QDEJGUIKALNXLQ-MYYYXRDXSA-N -1 0 497.526 5.121 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000001151601 194050944 /nfs/dbraw/zinc/05/09/44/194050944.db2.gz YVPMMGBWHVUGSC-QGMBQPNBSA-N -1 0 477.394 5.282 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S ZINC000001151602 194051012 /nfs/dbraw/zinc/05/10/12/194051012.db2.gz YVPMMGBWHVUGSC-LSCVHKIXSA-N -1 0 477.394 5.282 50 10 JKCARM COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC000001193522 194066462 /nfs/dbraw/zinc/06/64/62/194066462.db2.gz MKQIARGPLSYWTL-XMMPIXPASA-N -1 0 454.910 5.119 50 10 JKCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000001242194 194078780 /nfs/dbraw/zinc/07/87/80/194078780.db2.gz ABXNGQDKIIXPGT-RCCKNPSSSA-N -1 0 451.482 5.205 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000001243011 194079099 /nfs/dbraw/zinc/07/90/99/194079099.db2.gz VNRUBAYQKJQWMW-XKZIYDEJSA-N -1 0 473.891 5.353 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000001261308 194080917 /nfs/dbraw/zinc/08/09/17/194080917.db2.gz HTMPYWKJWQZFRN-HMAPJEAMSA-N -1 0 455.514 5.500 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000001262832 194080935 /nfs/dbraw/zinc/08/09/35/194080935.db2.gz HILIRIPNZYRPCK-NDENLUEZSA-N -1 0 494.906 5.964 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000001299108 194082252 /nfs/dbraw/zinc/08/22/52/194082252.db2.gz LAECDPDUSBMBOV-XMHGGMMESA-N -1 0 450.541 5.501 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001307379 194083253 /nfs/dbraw/zinc/08/32/53/194083253.db2.gz JVXSSFXDYHUNHZ-GZTJUZNOSA-N -1 0 482.246 5.124 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000001409479 194116501 /nfs/dbraw/zinc/11/65/01/194116501.db2.gz GXQLAYQNDMAWHA-KGENOOAVSA-N -1 0 455.901 5.850 50 10 JKCARM O=C([O-])CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S ZINC000001452586 194123293 /nfs/dbraw/zinc/12/32/93/194123293.db2.gz FSRVYXQOXYGCLR-UYRXBGFRSA-N -1 0 484.002 5.259 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001805119 194143478 /nfs/dbraw/zinc/14/34/78/194143478.db2.gz MDUCNVKALUCHHB-GZTJUZNOSA-N -1 0 470.399 6.100 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002379323 194160540 /nfs/dbraw/zinc/16/05/40/194160540.db2.gz MHJIJHMOYFLUTF-PXLXIMEGSA-N -1 0 471.944 5.405 50 10 JKCARM Cc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)[N-]C2=S)c1 ZINC000001890771 194152864 /nfs/dbraw/zinc/15/28/64/194152864.db2.gz UHDVQVVBHGAVLZ-PXLXIMEGSA-N -1 0 488.012 5.883 50 10 JKCARM O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C(F)(F)F)o2)c1 ZINC000002989518 194196323 /nfs/dbraw/zinc/19/63/23/194196323.db2.gz HUGCSJYTNBXBCP-BOPFTXTBSA-N -1 0 460.795 5.647 50 10 JKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl ZINC000003001286 194199138 /nfs/dbraw/zinc/19/91/38/194199138.db2.gz FSLJJHYOWVJWOD-ACAGNQJTSA-N -1 0 451.183 6.412 50 10 JKCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000003005243 194200444 /nfs/dbraw/zinc/20/04/44/194200444.db2.gz AVWGKFNQODJPGB-LPYMAVHISA-N -1 0 498.539 5.091 50 10 JKCARM CCN1c2cc(-c3ccccc3)ccc2O/C1=C/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000003031061 194212608 /nfs/dbraw/zinc/21/26/08/194212608.db2.gz FZWIJWOWWRAMKY-OQRYGUKSSA-N -1 0 494.638 5.803 50 10 JKCARM C[C@@H]1CCCCN1c1cc(Nc2cccc(C(=O)[O-])c2)c2c3c1noc3-c1ccccc1C2=O ZINC000003742051 194359690 /nfs/dbraw/zinc/35/96/90/194359690.db2.gz FCGAQHSMQNWTOD-OAHLLOKOSA-N -1 0 453.498 5.860 50 10 JKCARM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000003864330 194365306 /nfs/dbraw/zinc/36/53/06/194365306.db2.gz AUNIZANZUUDFRO-SRZZPIQSSA-N -1 0 476.916 5.432 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000004209201 194384624 /nfs/dbraw/zinc/38/46/24/194384624.db2.gz UCFPQNDHRJWAGT-FYJGNVAPSA-N -1 0 450.853 5.565 50 10 JKCARM Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000004644081 194393235 /nfs/dbraw/zinc/39/32/35/194393235.db2.gz LOUOQUAZBIJOHN-KGENOOAVSA-N -1 0 477.611 5.222 50 10 JKCARM O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000004665410 194393430 /nfs/dbraw/zinc/39/34/30/194393430.db2.gz MIRJSOROLUIZDU-UHFFFAOYSA-N -1 0 494.528 5.393 50 10 JKCARM O=C([O-])c1ccc(COc2ccccc2C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1 ZINC000007001355 194436934 /nfs/dbraw/zinc/43/69/34/194436934.db2.gz BGQQLXKKOPFXIL-UDWIEESQSA-N -1 0 499.375 6.353 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1 ZINC000008400531 194442004 /nfs/dbraw/zinc/44/20/04/194442004.db2.gz MAMKINSTGPXQSS-RGVLZGJSSA-N -1 0 496.928 5.282 50 10 JKCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000008763364 194479301 /nfs/dbraw/zinc/47/93/01/194479301.db2.gz LFBIGAVOWOLUCI-GQEMFKIVSA-N -1 0 455.944 5.627 50 10 JKCARM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000009264507 194646532 /nfs/dbraw/zinc/64/65/32/194646532.db2.gz NOFIKBMNXMPUOG-BHGWPJFGSA-N -1 0 490.625 5.683 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000009344533 194702283 /nfs/dbraw/zinc/70/22/83/194702283.db2.gz YPGBGBIDZDPRMW-UDWIEESQSA-N -1 0 497.334 5.247 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000009884792 195013978 /nfs/dbraw/zinc/01/39/78/195013978.db2.gz VPYGCSKRCYSMCT-TVNWYLLRSA-N -1 0 455.944 5.627 50 10 JKCARM O=c1oc2ccc(Br)cc2cc1-c1csc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000012605552 195050788 /nfs/dbraw/zinc/05/07/88/195050788.db2.gz MNDXGVVDGISILO-UHFFFAOYSA-N -1 0 497.779 5.133 50 10 JKCARM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S ZINC000096346739 130074296 /nfs/dbraw/zinc/07/42/96/130074296.db2.gz MAJUSKJKSLMFGG-PYCFMQQDSA-N -1 0 471.644 6.743 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000015836861 520622692 /nfs/dbraw/zinc/62/26/92/520622692.db2.gz KHFSAHADHMBTTO-DEDYPNTBSA-N -1 0 492.915 5.530 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1F ZINC000015836602 520622867 /nfs/dbraw/zinc/62/28/67/520622867.db2.gz DCTIJHJFIGBAQT-DEDYPNTBSA-N -1 0 476.460 5.016 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016677448 520628755 /nfs/dbraw/zinc/62/87/55/520628755.db2.gz MJAUZJVBTRUUKO-STZFKDTASA-N -1 0 487.468 5.079 50 10 JKCARM CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1OCc1ccccc1 ZINC000012285083 520629088 /nfs/dbraw/zinc/62/90/88/520629088.db2.gz XDIHEFCQICLTSE-XKZIYDEJSA-N -1 0 490.943 5.822 50 10 JKCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OC ZINC000033420138 520629625 /nfs/dbraw/zinc/62/96/25/520629625.db2.gz GQLYJQSCCOCYSI-HAHDFKILSA-N -1 0 486.524 5.488 50 10 JKCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000012412894 520894586 /nfs/dbraw/zinc/89/45/86/520894586.db2.gz OTCOVKFIOPLLJF-BOPFTXTBSA-N -1 0 451.822 5.013 50 10 JKCARM CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Br)cc(Br)c3[O-])S2)cc1 ZINC000018193723 521125882 /nfs/dbraw/zinc/12/58/82/521125882.db2.gz VDBIIJOYEVSJPJ-NVNXTCNLSA-N -1 0 498.196 5.398 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)cc1 ZINC000009259416 521274202 /nfs/dbraw/zinc/27/42/02/521274202.db2.gz GCSUYAZIWJHPAJ-ULJHMMPZSA-N -1 0 463.647 5.784 50 10 JKCARM CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C)o2)ccc1Cl ZINC000033055319 521422091 /nfs/dbraw/zinc/42/20/91/521422091.db2.gz WYFPYDLVSODIKU-UYRXBGFRSA-N -1 0 478.888 5.281 50 10 JKCARM CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C)o2)ccc1Cl ZINC000008781052 521423571 /nfs/dbraw/zinc/42/35/71/521423571.db2.gz XBQCTMFKHJVUSM-CPNJWEJPSA-N -1 0 478.888 5.281 50 10 JKCARM CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000006089596 521462325 /nfs/dbraw/zinc/46/23/25/521462325.db2.gz CTFJQKVUPDBEKR-BUVRLJJBSA-N -1 0 485.540 5.394 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000001182440 521947030 /nfs/dbraw/zinc/94/70/30/521947030.db2.gz LFYNTYLVBVXWHD-XDHOZWIPSA-N -1 0 476.916 5.743 50 10 JKCARM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OCc1ccccc1 ZINC000012412840 521959602 /nfs/dbraw/zinc/95/96/02/521959602.db2.gz XBWJYBWQCRGWCO-NDENLUEZSA-N -1 0 476.916 5.432 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000033421040 521959949 /nfs/dbraw/zinc/95/99/49/521959949.db2.gz UQIWDYOCKNQBML-UNOMPAQXSA-N -1 0 478.888 5.140 50 10 JKCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000033423907 521960567 /nfs/dbraw/zinc/96/05/67/521960567.db2.gz OGPDUUIJLKMCEH-ZDLGFXPLSA-N -1 0 496.878 5.279 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000033293772 521962441 /nfs/dbraw/zinc/96/24/41/521962441.db2.gz MFEYXZIIHHTQPG-RGVLZGJSSA-N -1 0 483.351 5.351 50 10 JKCARM COc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)cc3)C2=O)c(OC)cc1Cl ZINC000001172895 522630374 /nfs/dbraw/zinc/63/03/74/522630374.db2.gz WTWGAGLRYALEFV-XDHOZWIPSA-N -1 0 492.915 5.443 50 10 JKCARM COc1ccc(-n2cccc2/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1Cl ZINC000020210277 523338215 /nfs/dbraw/zinc/33/82/15/523338215.db2.gz VDLSYQCLLBAJFP-UNOMPAQXSA-N -1 0 470.959 5.243 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)cc1 ZINC000001160620 523962738 /nfs/dbraw/zinc/96/27/38/523962738.db2.gz FXFJKXAYHHNNLS-HYARGMPZSA-N -1 0 472.501 5.380 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000001163056 523962953 /nfs/dbraw/zinc/96/29/53/523962953.db2.gz RCGLTMAOXDHIIB-HZHRSRAPSA-N -1 0 471.469 5.243 50 10 JKCARM CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4C[C@@H](C)O[C@@H](C)C4)c3oc2C(F)(F)F)cc1 ZINC000012374178 524008164 /nfs/dbraw/zinc/00/81/64/524008164.db2.gz XOOJCFHQWJTIQF-GASCZTMLSA-N -1 0 477.479 5.481 50 10 JKCARM COc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)SC2=S)cc1 ZINC000002986666 524018801 /nfs/dbraw/zinc/01/88/01/524018801.db2.gz USOVNWYDGHTMKI-JAIQZWGSSA-N -1 0 485.970 5.708 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000001160988 524925010 /nfs/dbraw/zinc/92/50/10/524925010.db2.gz LGYSUCOKISLZBL-LFIBNONCSA-N -1 0 451.822 5.323 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1 ZINC000033333471 524925098 /nfs/dbraw/zinc/92/50/98/524925098.db2.gz CYMYPNYQIDXAOE-MTJSOVHGSA-N -1 0 481.335 6.388 50 10 JKCARM Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1 ZINC000001153511 525069381 /nfs/dbraw/zinc/06/93/81/525069381.db2.gz GJBHAEUAVZSQQT-BUVRLJJBSA-N -1 0 483.524 5.136 50 10 JKCARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)cc1C ZINC000036056887 525305804 /nfs/dbraw/zinc/30/58/04/525305804.db2.gz XCBONKHCCRJMNW-PLXFJCCSSA-N -1 0 474.582 5.629 50 10 JKCARM Cc1ccc(Oc2c(=O)c3ccc([O-])c(C[NH+]4CCCCCC4)c3oc2C(F)(F)F)cc1C ZINC000019793921 525471397 /nfs/dbraw/zinc/47/13/97/525471397.db2.gz GNDCMJYWQVNRGD-UHFFFAOYSA-N -1 0 461.480 6.303 50 10 JKCARM Cc1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)[O-])cc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])cc1C ZINC000016183576 526039367 /nfs/dbraw/zinc/03/93/67/526039367.db2.gz QEPBXANOHSBPHR-WQRHYEAKSA-N -1 0 499.401 5.518 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000001162946 526086274 /nfs/dbraw/zinc/08/62/74/526086274.db2.gz ZBCOUWIVKLSHDW-DJKKODMXSA-N -1 0 477.904 5.291 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000033332154 526090485 /nfs/dbraw/zinc/09/04/85/526090485.db2.gz ANGXLEYHBZBVRU-ZHZULCJRSA-N -1 0 454.461 5.288 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCCC1 ZINC000012466752 526090634 /nfs/dbraw/zinc/09/06/34/526090634.db2.gz DNQWOSAGVNTNRI-SFQUDFHCSA-N -1 0 460.361 5.583 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000012466962 526091035 /nfs/dbraw/zinc/09/10/35/526091035.db2.gz ULATWXLFKOVZCY-XDHOZWIPSA-N -1 0 467.953 5.026 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000016676144 526092296 /nfs/dbraw/zinc/09/22/96/526092296.db2.gz KHWSPTCRQLFXOB-VCHYOVAHSA-N -1 0 488.371 5.371 50 10 JKCARM COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)c1 ZINC000006088772 526209853 /nfs/dbraw/zinc/20/98/53/526209853.db2.gz SOAFFYNTNJRBTG-SLSDLSHTSA-N -1 0 476.554 5.021 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl ZINC000015012047 526341566 /nfs/dbraw/zinc/34/15/66/526341566.db2.gz QXAJHALSQOKGKD-VCHYOVAHSA-N -1 0 476.362 6.357 50 10 JKCARM O=C1/C(=C/c2cc(Br)cc(Cl)c2[O-])SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000033712599 526938454 /nfs/dbraw/zinc/93/84/54/526938454.db2.gz KVPJHVNZGACKPY-MLPAPPSSSA-N -1 0 471.741 5.122 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000001163998 526939752 /nfs/dbraw/zinc/93/97/52/526939752.db2.gz WXRSMOHUNWCOEP-MHWRWJLKSA-N -1 0 471.853 5.319 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001207286 526944515 /nfs/dbraw/zinc/94/45/15/526944515.db2.gz KOTGBDYCXPNOBQ-BOPFTXTBSA-N -1 0 498.314 5.289 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001186422 526946797 /nfs/dbraw/zinc/94/67/97/526946797.db2.gz JQIZWPJVGKYBAX-RAXLEYEMSA-N -1 0 488.308 5.833 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000013809873 527044975 /nfs/dbraw/zinc/04/49/75/527044975.db2.gz IXYUWXPGVCWYSY-BOPFTXTBSA-N -1 0 471.694 5.869 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000033352834 527046037 /nfs/dbraw/zinc/04/60/37/527046037.db2.gz MGHXCUDKQXGFSY-JMIUGGIZSA-N -1 0 494.334 6.092 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000016156364 527046302 /nfs/dbraw/zinc/04/63/02/527046302.db2.gz KFDPHHYSTUFYGC-UDWIEESQSA-N -1 0 495.850 5.473 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000017159814 527046603 /nfs/dbraw/zinc/04/66/03/527046603.db2.gz GIWMLDKRAYNZKA-ULJHMMPZSA-N -1 0 499.954 6.271 50 10 JKCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c-2cc1O ZINC000016225937 527483339 /nfs/dbraw/zinc/48/33/39/527483339.db2.gz VZZMPIHWMCYLLE-UHFFFAOYSA-N -1 0 471.421 5.169 50 10 JKCARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000016667543 527534351 /nfs/dbraw/zinc/53/43/51/527534351.db2.gz VFXAMSAGFCQISC-WOJGMQOQSA-N -1 0 471.742 5.108 50 10 JKCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S ZINC000013343678 527608185 /nfs/dbraw/zinc/60/81/85/527608185.db2.gz OOENNZREZDKUHB-OEAKJJBVSA-N -1 0 491.590 5.130 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000657204 553736851 /nfs/dbraw/zinc/73/68/51/553736851.db2.gz RHKOOZHNIQVXET-UDWIEESQSA-N -1 0 470.381 5.232 50 10 JKCARM CC(C)OC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl ZINC000000666599 553742497 /nfs/dbraw/zinc/74/24/97/553742497.db2.gz KTLVOEXLKDPDTE-UNOMPAQXSA-N -1 0 485.323 5.280 50 10 JKCARM CCOC(=O)c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)o1 ZINC000000677847 553751089 /nfs/dbraw/zinc/75/10/89/553751089.db2.gz FQVYRZIXNQSVRU-XSFVSMFZSA-N -1 0 460.511 5.103 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000000713053 553767272 /nfs/dbraw/zinc/76/72/72/553767272.db2.gz YGOHLBPJXLJAON-KOEQRZSOSA-N -1 0 487.584 5.674 50 10 biogenic JKCARM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000001174106 553924328 /nfs/dbraw/zinc/92/43/28/553924328.db2.gz WLLPGBRLXNFSHT-SFQUDFHCSA-N -1 0 456.285 5.299 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001276119 553939814 /nfs/dbraw/zinc/93/98/14/553939814.db2.gz GKFCNOASRWPUSS-JAIQZWGSSA-N -1 0 487.478 5.495 50 10 JKCARM Cc1ccc(OCCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000001864752 553998488 /nfs/dbraw/zinc/99/84/88/553998488.db2.gz GITBVHDZFFILAA-JCMHNJIXSA-N -1 0 477.948 5.734 50 10 JKCARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1C ZINC000002169920 554076150 /nfs/dbraw/zinc/07/61/50/554076150.db2.gz QQYXAXXZZAJQGY-UUYOSTAYSA-N -1 0 490.537 5.245 50 10 JKCARM CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl ZINC000002193068 554088098 /nfs/dbraw/zinc/08/80/98/554088098.db2.gz MTVQLPABCMNBOR-NTUHNPAUSA-N -1 0 498.160 5.129 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000002233536 554106506 /nfs/dbraw/zinc/10/65/06/554106506.db2.gz HIUWAGBQUVQRMO-FYJGNVAPSA-N -1 0 457.436 5.475 50 10 JKCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002234408 554107003 /nfs/dbraw/zinc/10/70/03/554107003.db2.gz HOJZPRLMOMWOHW-KGENOOAVSA-N -1 0 491.975 5.713 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000002237467 554108196 /nfs/dbraw/zinc/10/81/96/554108196.db2.gz UFDBAZJOSLHASW-XNTDXEJSSA-N -1 0 461.688 5.778 50 10 JKCARM CCOc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000002248373 554112996 /nfs/dbraw/zinc/11/29/96/554112996.db2.gz LYLMIHKZXRFOET-LDADJPATSA-N -1 0 497.916 5.579 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000002260361 554121498 /nfs/dbraw/zinc/12/14/98/554121498.db2.gz GPHVAIINVHRHMH-HMMYKYKNSA-N -1 0 498.366 5.943 50 10 JKCARM CC(C)(C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000002262962 554123021 /nfs/dbraw/zinc/12/30/21/554123021.db2.gz PWQRSJIIJWOTIR-HAVVHWLPSA-N -1 0 475.520 5.510 50 10 JKCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S ZINC000002276819 554129116 /nfs/dbraw/zinc/12/91/16/554129116.db2.gz XPAPRANZYMZLRH-PGMHBOJBSA-N -1 0 477.611 5.386 50 10 JKCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000002283824 554132380 /nfs/dbraw/zinc/13/23/80/554132380.db2.gz CVIWTVCEWWJYOO-CJLVFECKSA-N -1 0 465.509 5.595 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000002288558 554134101 /nfs/dbraw/zinc/13/41/01/554134101.db2.gz NWHUJYZBVKNADM-LPYMAVHISA-N -1 0 489.453 5.375 50 10 JKCARM CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)cc1 ZINC000002307056 554142156 /nfs/dbraw/zinc/14/21/56/554142156.db2.gz UCYLNKNEJAKATG-KOEQRZSOSA-N -1 0 471.626 5.576 50 10 JKCARM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000002306767 554142192 /nfs/dbraw/zinc/14/21/92/554142192.db2.gz WMNJRHLDBMFWRL-GZTJUZNOSA-N -1 0 467.821 5.024 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000002374848 554172722 /nfs/dbraw/zinc/17/27/22/554172722.db2.gz GFYFOVDZPMOQQA-WJDWOHSUSA-N -1 0 471.694 5.029 50 10 JKCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000002377700 554174445 /nfs/dbraw/zinc/17/44/45/554174445.db2.gz NZBVGWSPSUNHCQ-JJIBRWJFSA-N -1 0 453.542 5.882 50 10 JKCARM COc1cccc(N2C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000002379773 554175057 /nfs/dbraw/zinc/17/50/57/554175057.db2.gz JXXQQSOHHCOUDC-RCCKNPSSSA-N -1 0 453.523 5.515 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S ZINC000002381900 554175883 /nfs/dbraw/zinc/17/58/83/554175883.db2.gz QWRYEAOYHDHZGG-ZPWPBLDLSA-N -1 0 496.009 5.946 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000002381902 554175921 /nfs/dbraw/zinc/17/59/21/554175921.db2.gz VWEOZURNEMTWJL-ZPWPBLDLSA-N -1 0 496.009 5.946 50 10 JKCARM Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)cc2)cc1 ZINC000002700649 554294065 /nfs/dbraw/zinc/29/40/65/554294065.db2.gz VILIDXQCUWDJSI-AMCKHAKVSA-N -1 0 475.591 5.601 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2 ZINC000002754671 554327677 /nfs/dbraw/zinc/32/76/77/554327677.db2.gz FDJLMPBQEBOIHT-MSOLQXFVSA-N -1 0 461.624 5.750 50 10 JKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000002833753 554368870 /nfs/dbraw/zinc/36/88/70/554368870.db2.gz LKOBJJGZDGNPDX-MLPAPPSSSA-N -1 0 450.290 6.124 50 10 JKCARM O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cc(Cl)ccc1Cl ZINC000008438975 554590116 /nfs/dbraw/zinc/59/01/16/554590116.db2.gz VYYPZSJBLMVTTB-UHFFFAOYSA-N -1 0 483.423 6.261 50 10 JKCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000008741248 554643547 /nfs/dbraw/zinc/64/35/47/554643547.db2.gz RYJMJDQKYYVUAV-MOSHPQCFSA-N -1 0 489.959 6.154 50 10 JKCARM Cc1ccc(C(C)C)c(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000008743525 554646136 /nfs/dbraw/zinc/64/61/36/554646136.db2.gz RNHQPRAKAFZETP-XQNSMLJCSA-N -1 0 475.520 5.645 50 10 JKCARM CC[C@@H](C)c1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008766765 554667323 /nfs/dbraw/zinc/66/73/23/554667323.db2.gz CEIGJHMFFLPSKB-OZHVRZOASA-N -1 0 461.518 5.176 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008770793 554670696 /nfs/dbraw/zinc/67/06/96/554670696.db2.gz WWUQZBQMTXNXSF-LFIBNONCSA-N -1 0 498.314 5.289 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000008818969 554703251 /nfs/dbraw/zinc/70/32/51/554703251.db2.gz OSDUXXDMUOHWCA-BRYYZUPOSA-N -1 0 488.439 5.661 50 10 JKCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S ZINC000008818973 554703307 /nfs/dbraw/zinc/70/33/07/554703307.db2.gz CWRAKNDVGNHLQM-BRYYZUPOSA-N -1 0 488.439 5.661 50 10 JKCARM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000008821516 554709970 /nfs/dbraw/zinc/70/99/70/554709970.db2.gz WOMPGAPWBKWXLZ-YBFXNURJSA-N -1 0 466.496 5.267 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1 ZINC000008830152 554720060 /nfs/dbraw/zinc/72/00/60/554720060.db2.gz QHPNSYORODDNQJ-FVBVXOILSA-N -1 0 471.557 5.055 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000008914408 554807338 /nfs/dbraw/zinc/80/73/38/554807338.db2.gz IYECFIUQNVYWPQ-CAUNFOBBSA-N -1 0 496.394 6.863 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 ZINC000008916581 554811026 /nfs/dbraw/zinc/81/10/26/554811026.db2.gz RNLFWGOFUBBTGF-KQWNVCNZSA-N -1 0 485.927 5.040 50 10 JKCARM CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1 ZINC000008919681 554816511 /nfs/dbraw/zinc/81/65/11/554816511.db2.gz FYBLDXNUJIOTPI-MGNBDDOMSA-N -1 0 483.859 6.840 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000008974060 554845586 /nfs/dbraw/zinc/84/55/86/554845586.db2.gz PYUNHEMMDHFSBH-XKZIYDEJSA-N -1 0 455.901 5.850 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008990084 554851763 /nfs/dbraw/zinc/85/17/63/554851763.db2.gz JVIAXVQLNLMPNS-XKZIYDEJSA-N -1 0 492.373 5.140 50 10 JKCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Oc4ccc(N)cc4)cc3)C2=O)cc1 ZINC000008997173 554858507 /nfs/dbraw/zinc/85/85/07/554858507.db2.gz RASFDLUSJKMRAE-ULJHMMPZSA-N -1 0 470.529 5.414 50 10 JKCARM Cc1cccc(OCCCn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000008997345 554858863 /nfs/dbraw/zinc/85/88/63/554858863.db2.gz VTZATYUREWBBNL-LFVJCYFKSA-N -1 0 483.524 5.514 50 10 JKCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 ZINC000008997475 554858934 /nfs/dbraw/zinc/85/89/34/554858934.db2.gz GPPLQPDVCXWMQT-IWIPYMOSSA-N -1 0 465.509 5.513 50 10 JKCARM O=C(Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccccc1 ZINC000008997457 554858991 /nfs/dbraw/zinc/85/89/91/554858991.db2.gz ZIWGLRNAMKQXPZ-XSFVSMFZSA-N -1 0 498.539 5.091 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000008997550 554859223 /nfs/dbraw/zinc/85/92/23/554859223.db2.gz JKHUHHXAOOGJBD-HZHRSRAPSA-N -1 0 459.521 5.402 50 10 JKCARM CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000009010028 554863538 /nfs/dbraw/zinc/86/35/38/554863538.db2.gz RBUJSBLSVOFQJO-NLRVBDNBSA-N -1 0 495.648 6.434 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1 ZINC000009012999 554864805 /nfs/dbraw/zinc/86/48/05/554864805.db2.gz MJOWZLLJJZIVDI-KOEQRZSOSA-N -1 0 465.553 5.763 50 10 JKCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009015739 554865994 /nfs/dbraw/zinc/86/59/94/554865994.db2.gz NZBVGWSPSUNHCQ-ULJHMMPZSA-N -1 0 453.542 5.882 50 10 JKCARM CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1 ZINC000009065857 554885523 /nfs/dbraw/zinc/88/55/23/554885523.db2.gz KUYXJDDDVSUKHM-KHKYUJEISA-N -1 0 456.542 5.119 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1 ZINC000009076550 554887821 /nfs/dbraw/zinc/88/78/21/554887821.db2.gz BLHJMKZBHBWGBH-NAHYFOQLSA-N -1 0 455.558 5.582 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009087453 554889426 /nfs/dbraw/zinc/88/94/26/554889426.db2.gz NWHUJYZBVKNADM-XKZIYDEJSA-N -1 0 489.453 6.215 50 10 JKCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009089970 554890968 /nfs/dbraw/zinc/89/09/68/554890968.db2.gz MQCPFBJRPUKBEF-JJIBRWJFSA-N -1 0 451.526 5.142 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000009136381 554932643 /nfs/dbraw/zinc/93/26/43/554932643.db2.gz YAGGXTSGPFHWKT-JTMDUIFQSA-N -1 0 480.973 7.104 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1CCOc1cccc(C(F)(F)F)c1 ZINC000009167988 554952093 /nfs/dbraw/zinc/95/20/93/554952093.db2.gz HLNILMYJVNOYMP-XSFVSMFZSA-N -1 0 487.409 5.232 50 10 JKCARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c1 ZINC000009232624 555005059 /nfs/dbraw/zinc/00/50/59/555005059.db2.gz FIVBPXGGSSSKAI-VXLYETTFSA-N -1 0 484.873 5.443 50 10 JKCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O ZINC000009242371 555017320 /nfs/dbraw/zinc/01/73/20/555017320.db2.gz WZNXEQJNSXBHPN-QNGOZBTKSA-N -1 0 471.944 5.718 50 10 JKCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000009295816 555072190 /nfs/dbraw/zinc/07/21/90/555072190.db2.gz UMPOFUWDVSRFED-LFIBNONCSA-N -1 0 457.338 5.393 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc43)SC2=S)c1 ZINC000009305611 555078677 /nfs/dbraw/zinc/07/86/77/555078677.db2.gz XWEUGMTULYFGHT-PCLIKHOPSA-N -1 0 497.597 6.523 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009310066 555085473 /nfs/dbraw/zinc/08/54/73/555085473.db2.gz UFDBAZJOSLHASW-GDNBJRDFSA-N -1 0 461.688 5.573 50 10 JKCARM COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)SC1=S ZINC000009310346 555086053 /nfs/dbraw/zinc/08/60/53/555086053.db2.gz LDHLRRPLGQXHGL-YBFXNURJSA-N -1 0 499.953 5.491 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1 ZINC000009312901 555088794 /nfs/dbraw/zinc/08/87/94/555088794.db2.gz IQEUBDKBUWKIAF-IWIPYMOSSA-N -1 0 467.500 5.898 50 10 JKCARM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1 ZINC000009313199 555089183 /nfs/dbraw/zinc/08/91/83/555089183.db2.gz AZDFMOZYNPWMGK-SILNSSARSA-N -1 0 458.474 5.147 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000009335112 555102444 /nfs/dbraw/zinc/10/24/44/555102444.db2.gz VUKPYIUBSVFYOA-ZHZULCJRSA-N -1 0 455.901 5.009 50 10 JKCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000009355104 555119667 /nfs/dbraw/zinc/11/96/67/555119667.db2.gz MOWMIAAFXONULD-VEILYXNESA-N -1 0 489.575 6.044 50 10 JKCARM CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)SC2=S)c1 ZINC000009355178 555119752 /nfs/dbraw/zinc/11/97/52/555119752.db2.gz HZSVFPLDUSNIEZ-NDENLUEZSA-N -1 0 467.593 6.081 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1Cl ZINC000009424141 555188638 /nfs/dbraw/zinc/18/86/38/555188638.db2.gz WLUMEIXXYSKNJA-GDNBJRDFSA-N -1 0 475.715 5.882 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000009427662 555193046 /nfs/dbraw/zinc/19/30/46/555193046.db2.gz RBYGUUMFFCSFPY-ONUIUJJFSA-N -1 0 471.516 5.509 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1 ZINC000009427945 555193407 /nfs/dbraw/zinc/19/34/07/555193407.db2.gz SDISEBFVSXTXDU-PHQOBFFQSA-N -1 0 459.521 5.413 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 ZINC000009428550 555194173 /nfs/dbraw/zinc/19/41/73/555194173.db2.gz KVAUWOVLMGKEGA-RMENWYJGSA-N -1 0 483.351 6.433 50 10 JKCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1Cl ZINC000009455956 555225983 /nfs/dbraw/zinc/22/59/83/555225983.db2.gz NHTWIAFSRPONTO-UUYOSTAYSA-N -1 0 487.918 5.457 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000009466068 555241532 /nfs/dbraw/zinc/24/15/32/555241532.db2.gz PHKBBYNRCQZXBJ-KGENOOAVSA-N -1 0 492.362 5.223 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 ZINC000009477796 555259069 /nfs/dbraw/zinc/25/90/69/555259069.db2.gz GOVXIHXYCYKROP-HMAPJEAMSA-N -1 0 492.373 5.085 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1 ZINC000009477846 555259219 /nfs/dbraw/zinc/25/92/19/555259219.db2.gz XCUURFLWCVIYTD-UKAWQWHTSA-N -1 0 491.591 6.427 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl ZINC000009514093 555304452 /nfs/dbraw/zinc/30/44/52/555304452.db2.gz ZDSTVSJNFJYYKH-UNOMPAQXSA-N -1 0 497.334 5.247 50 10 JKCARM O=S(=O)([N-]c1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2nsnc21 ZINC000013346735 555377256 /nfs/dbraw/zinc/37/72/56/555377256.db2.gz CUARJTQIRUTSQO-UHFFFAOYSA-N -1 0 458.977 5.422 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1 ZINC000009730601 555466340 /nfs/dbraw/zinc/46/63/40/555466340.db2.gz FQRWPKSZAKBKPP-AKGOGDBKSA-N -1 0 476.916 5.155 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)c1ccccc1 ZINC000009730602 555466426 /nfs/dbraw/zinc/46/64/26/555466426.db2.gz FQRWPKSZAKBKPP-QAIWHXNASA-N -1 0 476.916 5.155 50 10 JKCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1 ZINC000009763006 555487942 /nfs/dbraw/zinc/48/79/42/555487942.db2.gz NNFPEVRAAXGHPJ-GHRIWEEISA-N -1 0 469.349 5.811 50 10 JKCARM O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)ccc1Cl ZINC000013546250 555490001 /nfs/dbraw/zinc/49/00/01/555490001.db2.gz XKQHGNDHSKFMGG-VCHYOVAHSA-N -1 0 486.914 5.612 50 10 JKCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C)cc3)C2=O)cc1 ZINC000013550659 555491571 /nfs/dbraw/zinc/49/15/71/555491571.db2.gz QHPNSYORODDNQJ-VXCWRXKNSA-N -1 0 471.557 5.055 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc32)C[C@H](C)O1 ZINC000013563194 555498076 /nfs/dbraw/zinc/49/80/76/555498076.db2.gz AENRHFJPARHXSA-BETUJISGSA-N -1 0 467.871 5.447 50 10 JKCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1 ZINC000013615666 555536040 /nfs/dbraw/zinc/53/60/40/555536040.db2.gz OUTBYZPWYQUNNF-HMAPJEAMSA-N -1 0 458.470 5.016 50 10 JKCARM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000009850572 555553188 /nfs/dbraw/zinc/55/31/88/555553188.db2.gz ARWXPZQREJFWCZ-DEDYPNTBSA-N -1 0 484.499 5.920 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000013685950 555579173 /nfs/dbraw/zinc/57/91/73/555579173.db2.gz ZZWMBDDHFVCXGS-JTMDUIFQSA-N -1 0 459.458 5.875 50 10 JKCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1 ZINC000013686666 555580279 /nfs/dbraw/zinc/58/02/79/555580279.db2.gz JYWHQWHNQHFLOC-AABCQZNVSA-N -1 0 472.497 5.753 50 10 JKCARM CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1 ZINC000010059394 555609972 /nfs/dbraw/zinc/60/99/72/555609972.db2.gz GXDKHBRWZOGIQI-VVVCHXIZSA-N -1 0 469.832 6.450 50 10 JKCARM CCOC(=O)c1ccc(N=Nc2c(CSc3ccc(Cl)cc3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000013785670 555618337 /nfs/dbraw/zinc/61/83/37/555618337.db2.gz ZVTBCKKYBCEOBQ-BYYHNAKLSA-N -1 0 492.988 7.116 50 10 JKCARM CC[C@H](C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1)c1ccccc1 ZINC000020058023 555621974 /nfs/dbraw/zinc/62/19/74/555621974.db2.gz PAZGILBXCIEMSE-UBUGFGJGSA-N -1 0 484.537 5.458 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000013809771 555624499 /nfs/dbraw/zinc/62/44/99/555624499.db2.gz KWKUZDKVJUFTJF-BKUYFWCQSA-N -1 0 473.891 5.989 50 10 JKCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)o2)c(Br)c1 ZINC000013810459 555625481 /nfs/dbraw/zinc/62/54/81/555625481.db2.gz WWNAYVQTJRPARH-UNOMPAQXSA-N -1 0 479.330 5.505 50 10 JKCARM Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 ZINC000013810276 555625512 /nfs/dbraw/zinc/62/55/12/555625512.db2.gz VOPUIWRZARIJCG-UCQKPKSFSA-N -1 0 469.928 5.522 50 10 JKCARM Cc1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c2)cc1 ZINC000013896745 555643976 /nfs/dbraw/zinc/64/39/76/555643976.db2.gz DREWIXAIKNPUOI-JJIBRWJFSA-N -1 0 456.498 5.268 50 10 JKCARM CCCCOc1c(Br)cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000013914455 555646409 /nfs/dbraw/zinc/64/64/09/555646409.db2.gz UPALKAJHSPOJFB-VCHYOVAHSA-N -1 0 487.350 5.141 50 10 JKCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S ZINC000010232799 555657470 /nfs/dbraw/zinc/65/74/70/555657470.db2.gz IKJDNVCADYHHGG-JQFNYASXSA-N -1 0 460.533 5.008 50 10 JKCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccn3-c3cc([N+](=O)[O-])ccc3Cl)SC2=S)c1 ZINC000020210280 555703150 /nfs/dbraw/zinc/70/31/50/555703150.db2.gz QTPIIQWIZZPRJD-WQRHYEAKSA-N -1 0 485.930 5.143 50 10 JKCARM Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)[O-])cc2)N3)c(C)c1 ZINC000014165945 555718378 /nfs/dbraw/zinc/71/83/78/555718378.db2.gz ANRGVJNHFLVTQT-UFPGJGBJSA-N -1 0 474.582 5.629 50 10 JKCARM CCOc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238496 555732127 /nfs/dbraw/zinc/73/21/27/555732127.db2.gz KOVXLAOYDLSGHT-UNOMPAQXSA-N -1 0 461.430 5.069 50 10 JKCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000020238538 555732288 /nfs/dbraw/zinc/73/22/88/555732288.db2.gz PPHBPUGCSPOYSM-WQRHYEAKSA-N -1 0 496.273 5.432 50 10 JKCARM COc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(OC)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000020238598 555732457 /nfs/dbraw/zinc/73/24/57/555732457.db2.gz WNIRXVMETBISSS-YBEGLDIGSA-N -1 0 497.847 5.032 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Sc2cccc3ccccc32)o1 ZINC000020238562 555732523 /nfs/dbraw/zinc/73/25/23/555732523.db2.gz LXPYHRDVWARAQK-ZHZULCJRSA-N -1 0 458.470 6.230 50 10 JKCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12 ZINC000020247812 555742485 /nfs/dbraw/zinc/74/24/85/555742485.db2.gz CAFQXXGPAGTPKX-LDADJPATSA-N -1 0 467.344 5.283 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000020324536 555772269 /nfs/dbraw/zinc/77/22/69/555772269.db2.gz BFEYJQUOVSJCLO-MOSHPQCFSA-N -1 0 466.946 6.294 50 10 JKCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000015723226 555958048 /nfs/dbraw/zinc/95/80/48/555958048.db2.gz IQBBXRFDADDVLF-LDADJPATSA-N -1 0 481.848 5.414 50 10 JKCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C)c1 ZINC000012362988 555958513 /nfs/dbraw/zinc/95/85/13/555958513.db2.gz AWZLMFSKPLIMEF-LDADJPATSA-N -1 0 468.340 5.376 50 10 JKCARM CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)o2)cc1 ZINC000015945526 556081924 /nfs/dbraw/zinc/08/19/24/556081924.db2.gz YLARVFZZELDTQI-QJOMJCCJSA-N -1 0 486.524 5.132 50 10 JKCARM C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015947456 556085580 /nfs/dbraw/zinc/08/55/80/556085580.db2.gz CKOTZNITJSGSJB-ZIDLFYJRSA-N -1 0 472.202 5.532 50 10 JKCARM Cc1nn(-c2cc(C)ccc2C)c(Cl)c1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000012922507 556141356 /nfs/dbraw/zinc/14/13/56/556141356.db2.gz VIDMBXCTQKLSMJ-ODLFYWEKSA-N -1 0 484.002 5.555 50 10 JKCARM CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(CN3C[C@@H](C)O[C@@H](C)C3)c2oc1C(F)(F)F ZINC000016852314 556170290 /nfs/dbraw/zinc/17/02/90/556170290.db2.gz QSIZQPJHUOIPMR-GASCZTMLSA-N -1 0 493.478 5.318 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000017015998 556204747 /nfs/dbraw/zinc/20/47/47/556204747.db2.gz BAIWWSNNXMOVPH-XSFVSMFZSA-N -1 0 486.325 5.468 50 10 JKCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000017056514 556214393 /nfs/dbraw/zinc/21/43/93/556214393.db2.gz SHDHFGYBODAZAO-MHWRWJLKSA-N -1 0 472.240 5.668 50 10 JKCARM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)[N-]C2=S)cc1 ZINC000017124336 556220539 /nfs/dbraw/zinc/22/05/39/556220539.db2.gz OGFJVZRJSFMDMW-BOPFTXTBSA-N -1 0 457.338 6.233 50 10 JKCARM [O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 ZINC000025559603 556220879 /nfs/dbraw/zinc/22/08/79/556220879.db2.gz IEDFKTDQDQWIOB-UZLBHIALSA-N -1 0 496.213 6.765 50 10 JKCARM Cc1c(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000017167391 556230385 /nfs/dbraw/zinc/23/03/85/556230385.db2.gz UNFMYKANISNQDR-RCCKNPSSSA-N -1 0 469.541 5.809 50 10 JKCARM Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)c2)cc1 ZINC000025761386 556232492 /nfs/dbraw/zinc/23/24/92/556232492.db2.gz LGJJUXFCGSQMPV-RCCKNPSSSA-N -1 0 455.601 5.420 50 10 JKCARM CCN1c2cc(-c3ccccc3)ccc2O/C1=C\C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000017242846 556243898 /nfs/dbraw/zinc/24/38/98/556243898.db2.gz FZWIJWOWWRAMKY-VMTNTFKOSA-N -1 0 494.638 5.803 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S ZINC000026771457 556261224 /nfs/dbraw/zinc/26/12/24/556261224.db2.gz UUHJUAHCLSCPCP-QJUACMODSA-N -1 0 496.009 5.946 50 10 JKCARM Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c(C)c1 ZINC000027024980 556272223 /nfs/dbraw/zinc/27/22/23/556272223.db2.gz FXJJZTWZJRCOHL-STZFKDTASA-N -1 0 491.638 5.531 50 10 JKCARM Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000013075872 556277862 /nfs/dbraw/zinc/27/78/62/556277862.db2.gz NBAZWXKUDBOEKY-IAFWPLRWSA-N -1 0 494.550 5.060 50 10 JKCARM CCOC(=O)c1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1 ZINC000018057292 556280998 /nfs/dbraw/zinc/28/09/98/556280998.db2.gz CFXRKJQKMZYHQS-HAVVHWLPSA-N -1 0 482.565 5.610 50 10 JKCARM CC(C)(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000027527972 556289954 /nfs/dbraw/zinc/28/99/54/556289954.db2.gz GNGGWRBBPCQAAY-CPNJWEJPSA-N -1 0 493.903 6.312 50 10 JKCARM COc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 ZINC000027530965 556291398 /nfs/dbraw/zinc/29/13/98/556291398.db2.gz ZPTMTHBGUBSFIN-UQQQWYQISA-N -1 0 495.535 5.544 50 10 JKCARM COc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000027549075 556295473 /nfs/dbraw/zinc/29/54/73/556295473.db2.gz DOZLITTWRUHQOT-CAPFRKAQSA-N -1 0 499.498 5.375 50 10 JKCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000027549047 556295607 /nfs/dbraw/zinc/29/56/07/556295607.db2.gz ALYRLUGGOONALC-UNOMPAQXSA-N -1 0 494.403 6.185 50 10 JKCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C2=O)c1C ZINC000027549116 556295835 /nfs/dbraw/zinc/29/58/35/556295835.db2.gz PGSXRZLJQANRDS-HZHRSRAPSA-N -1 0 498.583 5.023 50 10 JKCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cn(CCOc2ccccc2)c2ccccc12 ZINC000027570526 556298173 /nfs/dbraw/zinc/29/81/73/556298173.db2.gz ZCHBHOFJQHOMNB-HAVVHWLPSA-N -1 0 451.482 5.227 50 10 JKCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000018181381 556299425 /nfs/dbraw/zinc/29/94/25/556299425.db2.gz HLFHSYJAXJWWQG-PDGQHHTCSA-N -1 0 497.334 5.073 50 10 JKCARM CCOc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)cc(Br)c3[O-])S2)cc1 ZINC000018193748 556302008 /nfs/dbraw/zinc/30/20/08/556302008.db2.gz NWBTXPGVGFJPNJ-NVNXTCNLSA-N -1 0 453.745 5.289 50 10 JKCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S ZINC000028355844 556331992 /nfs/dbraw/zinc/33/19/92/556331992.db2.gz AXPQLTSJOAIRBV-FCONWMNKSA-N -1 0 456.372 5.564 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000013124911 556340440 /nfs/dbraw/zinc/34/04/40/556340440.db2.gz QYIZCZQLIXJZOX-UNOMPAQXSA-N -1 0 451.276 5.213 50 10 JKCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc32)CC1 ZINC000019791839 556370976 /nfs/dbraw/zinc/37/09/76/556370976.db2.gz SKWPCHZOIFTJHT-UHFFFAOYSA-N -1 0 498.501 5.600 50 10 JKCARM CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3CCOCC3)c2oc1C(F)(F)F ZINC000019792857 556371404 /nfs/dbraw/zinc/37/14/04/556371404.db2.gz XFAPOIFYFUSGQY-UHFFFAOYSA-N -1 0 463.452 5.265 50 10 JKCARM C[C@@H]1CN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc32)C[C@@H](C)O1 ZINC000019793022 556371903 /nfs/dbraw/zinc/37/19/03/556371903.db2.gz NFUMCZIDIFZIKQ-CHWSQXEVSA-N -1 0 483.870 5.572 50 10 JKCARM Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000019800537 556377802 /nfs/dbraw/zinc/37/78/02/556377802.db2.gz HTRGISJXWCFPSG-HYARGMPZSA-N -1 0 491.638 5.647 50 10 JKCARM CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1OCc1ccc(Cl)cc1 ZINC000032099611 556416194 /nfs/dbraw/zinc/41/61/94/556416194.db2.gz RNBPRZLXAKEVMD-QRVIBDJDSA-N -1 0 490.943 5.822 50 10 JKCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S ZINC000032694356 556471774 /nfs/dbraw/zinc/47/17/74/556471774.db2.gz LSNKMTWKMCQLGI-QJUACMODSA-N -1 0 496.009 5.946 50 10 JKCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000008691608 562954160 /nfs/dbraw/zinc/95/41/60/562954160.db2.gz MOPAYGUOPSWAPQ-XIEYBQDHSA-N -1 0 471.557 5.124 50 10 JKCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000008438772 569589708 /nfs/dbraw/zinc/58/97/08/569589708.db2.gz MFEYXZIIHHTQPG-JAIQZWGSSA-N -1 0 483.351 5.351 50 10 JKCARM COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br ZINC000008451889 569590973 /nfs/dbraw/zinc/59/09/73/569590973.db2.gz ZGDRDWKRLDNVJO-UYRXBGFRSA-N -1 0 476.326 5.627 50 10 JKCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCCC2 ZINC000008455306 569591586 /nfs/dbraw/zinc/59/15/86/569591586.db2.gz QUYLVXZCCZSRQF-OALUTQOASA-N -1 0 475.651 6.140 50 10 JKCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S ZINC000008735648 569601986 /nfs/dbraw/zinc/60/19/86/569601986.db2.gz MTGSGKGWDDMUNU-FSEGOYHTSA-N -1 0 456.372 5.708 50 10 JKCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000033785639 569635019 /nfs/dbraw/zinc/63/50/19/569635019.db2.gz XVJBAHGCYXCONL-VXLYETTFSA-N -1 0 487.314 5.182 50 10 JKCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1 ZINC000033926464 569637745 /nfs/dbraw/zinc/63/77/45/569637745.db2.gz PDIAPDGNSMDYLR-UUYOSTAYSA-N -1 0 495.362 6.696 50 10 JKCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C ZINC000068680722 569691444 /nfs/dbraw/zinc/69/14/44/569691444.db2.gz MVBIHCJQEIQAFN-YBEGLDIGSA-N -1 0 461.736 5.653 50 10 JKCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(N3CCC4(CCCCC4)CC3)cc2)SC1=S ZINC000071766919 569697360 /nfs/dbraw/zinc/69/73/60/569697360.db2.gz QLSWLOPSBLWOEX-JZJYNLBNSA-N -1 0 458.649 5.303 50 10 JKCARM O=C1/C(=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])SC(=S)N1C1CCCCC1 ZINC000083327551 569708664 /nfs/dbraw/zinc/70/86/64/569708664.db2.gz LRIFDGTWYDHMTN-ZHZULCJRSA-N -1 0 454.573 5.425 50 10 JKCARM CC(C)Oc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000085879471 569716301 /nfs/dbraw/zinc/71/63/01/569716301.db2.gz AEDAEMJEOWHNIQ-UHFFFAOYSA-N -1 0 459.502 5.605 50 10 biogenic JKCARM O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(F)c(F)c3F)c12 ZINC000095477536 569724336 /nfs/dbraw/zinc/72/43/36/569724336.db2.gz UOTQFYFASJCPMM-UHFFFAOYSA-N -1 0 469.419 6.037 50 10 JKCARM COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)c2ccccc12 ZINC000095478813 569724502 /nfs/dbraw/zinc/72/45/02/569724502.db2.gz GOERKSSHNRVBEE-UHFFFAOYSA-N -1 0 455.470 5.857 50 10 JKCARM COc1cc(OC)c(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000095480812 569724706 /nfs/dbraw/zinc/72/47/06/569724706.db2.gz CDNWPGRJVBQRTF-UHFFFAOYSA-N -1 0 491.500 5.255 50 10 JKCARM CC(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096114575 569733614 /nfs/dbraw/zinc/73/36/14/569733614.db2.gz XEWBRUCWQHDOKF-KRWDZBQOSA-N -1 0 488.492 5.053 50 10 biogenic JKCARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12 ZINC000096115520 569734451 /nfs/dbraw/zinc/73/44/51/569734451.db2.gz KGMCBRZIYLYNOT-GOSISDBHSA-N -1 0 496.471 5.180 50 10 biogenic JKCARM COC(=O)C[C@H](c1ccccc1OC(C)C)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222536 569739606 /nfs/dbraw/zinc/73/96/06/569739606.db2.gz YBXYFJIDZPHMMJ-GOSISDBHSA-N -1 0 490.508 5.059 50 10 biogenic JKCARM O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1cccc(Br)c1 ZINC000098086623 569750426 /nfs/dbraw/zinc/75/04/26/569750426.db2.gz IMTHQQOQYZHEKU-MLPAPPSSSA-N -1 0 461.189 5.867 50 10 JKCARM CC(=Nc1ccc(Cl)c(Cl)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100094532 569752847 /nfs/dbraw/zinc/75/28/47/569752847.db2.gz GVCNBAPJHYSHPU-OQLLNIDSSA-N -1 0 471.291 6.254 50 10 JKCARM CCC(=Nc1cc(Cl)ccc1O)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100157756 569754253 /nfs/dbraw/zinc/75/42/53/569754253.db2.gz BSPSRGLHYHDKJO-LFIBNONCSA-N -1 0 466.872 5.696 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1cccc(Cl)c1C ZINC000100524896 569763616 /nfs/dbraw/zinc/76/36/16/569763616.db2.gz WYCNUSGAPRJGOO-GEJZQBIKSA-N -1 0 488.798 6.409 50 10 JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000100525080 569763618 /nfs/dbraw/zinc/76/36/18/569763618.db2.gz XHLFTNIUKDLCCN-IUBFCHALSA-N -1 0 454.353 5.756 50 10 JKCARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl ZINC000100524868 569763670 /nfs/dbraw/zinc/76/36/70/569763670.db2.gz HYMMXXHVSLFTCE-LRDZBDLTSA-N -1 0 475.317 5.900 50 10 JKCARM COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1OC(=O)c1cccs1 ZINC000100764935 569769229 /nfs/dbraw/zinc/76/92/29/569769229.db2.gz SAHKSEFQZXLSHC-MHWRWJLKSA-N -1 0 496.928 5.134 50 10 JKCARM CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000101077951 569781687 /nfs/dbraw/zinc/78/16/87/569781687.db2.gz GYZCOPAMLYBKEX-LDADJPATSA-N -1 0 485.179 6.083 50 10 JKCARM CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)sc2c1CCCC2 ZINC000101114112 569783302 /nfs/dbraw/zinc/78/33/02/569783302.db2.gz QGTPVLMQOGOLEF-SFQUDFHCSA-N -1 0 488.407 5.285 50 10 JKCARM CCOc1ccccc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000101152595 569784733 /nfs/dbraw/zinc/78/47/33/569784733.db2.gz COOZWCGOLLPQAW-HAVVHWLPSA-N -1 0 454.555 5.832 50 10 JKCARM O=C1[N-]C(=O)N(C2CCCC2)C(=O)C1=Cc1cn(CCCOc2ccccc2)c2ccccc12 ZINC000038198094 569800621 /nfs/dbraw/zinc/80/06/21/569800621.db2.gz KEHAKXKCQZKJOZ-HAVVHWLPSA-N -1 0 457.530 5.355 50 10 JKCARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3[O-])[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000102765168 569822831 /nfs/dbraw/zinc/82/28/31/569822831.db2.gz DWROTSDKPAMJAG-IRFCIJBXSA-N -1 0 489.742 5.404 50 10 JKCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000040567415 569830323 /nfs/dbraw/zinc/83/03/23/569830323.db2.gz LWLLIJOYYCEJIL-FBKCMUNRSA-N -1 0 453.994 5.008 50 10 JKCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(c1ccccc1)c1ccccc1)N2 ZINC000103020699 569831878 /nfs/dbraw/zinc/83/18/78/569831878.db2.gz DRIKHERJCMUCBX-AWVRMFGXSA-N -1 0 452.554 5.177 50 10 JKCARM CCCCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)C[C@@H](C)CC2 ZINC000044827091 569839342 /nfs/dbraw/zinc/83/93/42/569839342.db2.gz OAMCJYOKHFDLJI-WLVMFVESSA-N -1 0 451.592 5.548 50 10 JKCARM CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)[O-])o1 ZINC000105982870 569853655 /nfs/dbraw/zinc/85/36/55/569853655.db2.gz TXTFTRGPHKSTDH-WOJGMQOQSA-N -1 0 469.266 5.353 50 10 JKCARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1 ZINC000111479162 569860970 /nfs/dbraw/zinc/86/09/70/569860970.db2.gz CTTOGPAAVKCXEG-IECBHUPTSA-N -1 0 464.518 5.151 50 10 JKCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc(OCCc4ccc5c(c4)CCO5)cc3)c2ccc1O ZINC000217835481 569881807 /nfs/dbraw/zinc/88/18/07/569881807.db2.gz UILVPVAJPSZPKC-UHFFFAOYSA-N -1 0 479.492 5.492 50 10 biogenic JKCARM Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)c(C)c1 ZINC000223254360 569905022 /nfs/dbraw/zinc/90/50/22/569905022.db2.gz WNQRPXVOCWOPEG-RGVLZGJSSA-N -1 0 452.919 5.997 50 10 JKCARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@@H]3C2=O)c(C)c1 ZINC000230040355 570043942 /nfs/dbraw/zinc/04/39/42/570043942.db2.gz CBAPORZLOWXHFY-QZNHQXDQSA-N -1 0 483.351 5.367 50 10 JKCARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)c(C)c1 ZINC000245324902 570064090 /nfs/dbraw/zinc/06/40/90/570064090.db2.gz CBAPORZLOWXHFY-MQSCRBSSSA-N -1 0 483.351 5.367 50 10 JKCARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4[O-])[C@H]3C2=O)cc1 ZINC000245326860 570064990 /nfs/dbraw/zinc/06/49/90/570064990.db2.gz MKHNEAQWPHFKIP-MQSCRBSSSA-N -1 0 499.350 5.149 50 10 JKCARM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000248125576 570074832 /nfs/dbraw/zinc/07/48/32/570074832.db2.gz FRURLUHNWYGLDT-DVECYGJZSA-N -1 0 471.340 5.959 50 10 JKCARM CCCCC[C@@H]1CCN2c3c(cc(C(=O)[O-])cc31)[C@@H]1C=CC[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000248198178 570076124 /nfs/dbraw/zinc/07/61/24/570076124.db2.gz SATVLVYEJAZVPV-QAJSZCMLSA-N -1 0 480.446 7.436 50 10 biogenic JKCARM Cc1[n-]n(-c2nc(-c3ccc(Br)cc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000252460743 570081203 /nfs/dbraw/zinc/08/12/03/570081203.db2.gz HVJQAUZCMCXXCG-SFHVURJKSA-N -1 0 454.353 5.756 50 10 JKCARM