smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000408755030	570035328	/nfs/dbraw/zinc/03/53/28/570035328.db2.gz	PMBHGMAARZKVHQ-LDADJPATSA-N	-1	2	480.860	4.363	40	10		JICBLM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000408773431	570039451	/nfs/dbraw/zinc/03/94/51/570039451.db2.gz	QLPKUWGSTITSJT-CIAFOILYSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	ZINC000408786236	570043098	/nfs/dbraw/zinc/04/30/98/570043098.db2.gz	HPRVBVCPTXKEJD-FYJGNVAPSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000408935134	570081157	/nfs/dbraw/zinc/08/11/57/570081157.db2.gz	GXONPXNPMQGFPN-FYJGNVAPSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1	ZINC000408940778	570082556	/nfs/dbraw/zinc/08/25/56/570082556.db2.gz	OQYJNNCORXXGNT-UDWIEESQSA-N	-1	2	494.862	4.423	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	ZINC000408941894	570082856	/nfs/dbraw/zinc/08/28/56/570082856.db2.gz	PZSOALQEYQBLPX-XDHOZWIPSA-N	-1	2	494.862	4.423	40	10		JICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1	ZINC000409072933	570118940	/nfs/dbraw/zinc/11/89/40/570118940.db2.gz	UIBVQVBUJOQSGP-YBFXNURJSA-N	-1	2	494.862	4.423	40	10		JICBLM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)ccc21	ZINC000409193626	570162738	/nfs/dbraw/zinc/16/27/38/570162738.db2.gz	IBWLVPIQQZVKKN-ZRRZQRFHSA-N	-1	2	472.284	4.260	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000409246220	570184272	/nfs/dbraw/zinc/18/42/72/570184272.db2.gz	GMOGZXZWDRHSNQ-QGOAFFKASA-N	-1	2	460.442	4.018	40	10		JICBLM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000014132987	555700642	/nfs/dbraw/zinc/70/06/42/555700642.db2.gz	SGWCCJWSAFCVNC-LFIBNONCSA-N	-1	2	450.834	4.273	40	10		JICBLM
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000217684657	569880952	/nfs/dbraw/zinc/88/09/52/569880952.db2.gz	MIYPDJUSRAYWCW-JXALWOEJSA-N	-1	2	476.558	4.419	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408785207	570042913	/nfs/dbraw/zinc/04/29/13/570042913.db2.gz	ZUFFGOULGZKNND-LPYMAVHISA-N	-1	2	471.513	4.384	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408786867	570043320	/nfs/dbraw/zinc/04/33/20/570043320.db2.gz	OUOLTHHEZMBXIU-UDWIEESQSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000408899606	570068038	/nfs/dbraw/zinc/06/80/38/570068038.db2.gz	PLPAQZJHVRETNG-HYARGMPZSA-N	-1	2	470.481	4.247	40	10		JICBLM
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c3ccccc32)c1	ZINC000408911043	570072823	/nfs/dbraw/zinc/07/28/23/570072823.db2.gz	MPIPMQWEBSQFRQ-WSDLNYQXSA-N	-1	2	483.455	4.193	40	10		JICBLM
O=C([O-])c1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1	ZINC000409048539	570109351	/nfs/dbraw/zinc/10/93/51/570109351.db2.gz	RRZLQUPUTWXXQS-MOSHPQCFSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000409233301	570178646	/nfs/dbraw/zinc/17/86/46/570178646.db2.gz	FITIDTNADWBMCS-MHWRWJLKSA-N	-1	2	470.268	4.149	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408933555	570080782	/nfs/dbraw/zinc/08/07/82/570080782.db2.gz	BHFOZODPUSYPDJ-YBFXNURJSA-N	-1	2	463.877	4.112	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	ZINC000408942411	570082907	/nfs/dbraw/zinc/08/29/07/570082907.db2.gz	QRUBXJBBZWPSPJ-YBFXNURJSA-N	-1	2	494.862	4.423	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409221990	570174910	/nfs/dbraw/zinc/17/49/10/570174910.db2.gz	AOFJJSVJAJMZIF-XDHOZWIPSA-N	-1	2	477.904	4.421	40	10		JICBLM
O=C([O-])c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)o1	ZINC000408541041	570191508	/nfs/dbraw/zinc/19/15/08/570191508.db2.gz	DIMWBWRMBGMTSS-VXLYETTFSA-N	-1	2	489.871	4.301	40	10		JICBLM
Nc1c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000104342695	569845170	/nfs/dbraw/zinc/84/51/70/569845170.db2.gz	LEFKRJUXUIRAEN-IZHYLOQSSA-N	-1	2	483.531	4.280	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408782107	570041908	/nfs/dbraw/zinc/04/19/08/570041908.db2.gz	HKXYPHHIYISDPM-LPYMAVHISA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1Cl	ZINC000408984820	570092006	/nfs/dbraw/zinc/09/20/06/570092006.db2.gz	SUHPFXOFRZLWIF-QCDXTXTGSA-N	-1	2	483.691	4.085	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O	ZINC000009265500	555041701	/nfs/dbraw/zinc/04/17/01/555041701.db2.gz	NKHBTVCRSUHUPP-ZHZULCJRSA-N	-1	2	487.512	4.166	40	10		JICBLM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)o2)c1	ZINC000408762867	570037297	/nfs/dbraw/zinc/03/72/97/570037297.db2.gz	CEZWLSPDWUWRBP-MHWRWJLKSA-N	-1	2	454.797	4.104	40	10		JICBLM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408774459	570039830	/nfs/dbraw/zinc/03/98/30/570039830.db2.gz	LMEWQRGODFBWLJ-DEDYPNTBSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408858542	570056943	/nfs/dbraw/zinc/05/69/43/570056943.db2.gz	SXIORMDTAKUFAO-LPYMAVHISA-N	-1	2	457.486	4.076	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	ZINC000408935298	570081249	/nfs/dbraw/zinc/08/12/49/570081249.db2.gz	COLLQENGBZBPIN-DEDYPNTBSA-N	-1	2	476.872	4.284	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C2=O)cc1	ZINC000408982061	570091081	/nfs/dbraw/zinc/09/10/81/570091081.db2.gz	FKVPLFMXMBKKHW-STZFKDTASA-N	-1	2	457.486	4.021	40	10		JICBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409236581	570180043	/nfs/dbraw/zinc/18/00/43/570180043.db2.gz	SZHLVYXMWLKWQI-WJDWOHSUSA-N	-1	2	450.834	4.273	40	10		JICBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1C	ZINC000408543260	570191946	/nfs/dbraw/zinc/19/19/46/570191946.db2.gz	OPOROOZNENQMRX-UDWIEESQSA-N	-1	2	483.480	4.264	40	10		JICBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408773379	570039437	/nfs/dbraw/zinc/03/94/37/570039437.db2.gz	KIJPDWXVXHEHFE-WOJGMQOQSA-N	-1	2	450.834	4.273	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)cc1	ZINC000408913523	570074128	/nfs/dbraw/zinc/07/41/28/570074128.db2.gz	LNRHZUULMWDARQ-HYARGMPZSA-N	-1	2	487.512	4.166	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1Cl	ZINC000408990214	570093805	/nfs/dbraw/zinc/09/38/05/570093805.db2.gz	WEIOFURNQLFTQU-BOPFTXTBSA-N	-1	2	450.834	4.273	40	10		JICBLM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408771033	570038886	/nfs/dbraw/zinc/03/88/86/570038886.db2.gz	DQEHHVKBRUGBEU-WOJGMQOQSA-N	-1	2	450.834	4.273	40	10		JICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O	ZINC000408773390	570039500	/nfs/dbraw/zinc/03/95/00/570039500.db2.gz	QVTRJDOVJFIXBD-PXLXIMEGSA-N	-1	2	470.481	4.193	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	ZINC000408941737	570082750	/nfs/dbraw/zinc/08/27/50/570082750.db2.gz	PPCNMTRBZSPSHO-DEDYPNTBSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4[O-])o3)C2=O)cc1Cl	ZINC000408982260	570091063	/nfs/dbraw/zinc/09/10/63/570091063.db2.gz	CYNMOICWYKTVEC-YBEGLDIGSA-N	-1	2	467.821	4.189	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)C2=O)cc1	ZINC000408983339	570091425	/nfs/dbraw/zinc/09/14/25/570091425.db2.gz	LMWFGWGMNNFLQC-XKZIYDEJSA-N	-1	2	471.513	4.330	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408983966	570091662	/nfs/dbraw/zinc/09/16/62/570091662.db2.gz	OWPWKDORNCUUPE-ODLFYWEKSA-N	-1	2	477.904	4.421	40	10		JICBLM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)ccc21	ZINC000409192603	570162493	/nfs/dbraw/zinc/16/24/93/570162493.db2.gz	ZAZWVLPRSNLSFM-ZTMOJVSCSA-N	-1	2	472.284	4.260	40	10		JICBLM
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)ccc1Br	ZINC000408764522	570037700	/nfs/dbraw/zinc/03/77/00/570037700.db2.gz	UJKFUJYOJZQOEK-GZTJUZNOSA-N	-1	2	495.285	4.382	40	10		JICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O	ZINC000408914404	570074566	/nfs/dbraw/zinc/07/45/66/570074566.db2.gz	XTYVKHGANONGOH-KGENOOAVSA-N	-1	2	471.513	4.330	40	10		JICBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408933463	570080819	/nfs/dbraw/zinc/08/08/19/570080819.db2.gz	AXPRBVJIDQHVTB-RGVLZGJSSA-N	-1	2	493.903	4.121	40	10		JICBLM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408960692	570085801	/nfs/dbraw/zinc/08/58/01/570085801.db2.gz	NWDPBJVQMAACAA-UDWIEESQSA-N	-1	2	476.872	4.284	40	10		JICBLM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)ccc21	ZINC000409192599	570162487	/nfs/dbraw/zinc/16/24/87/570162487.db2.gz	ZAZWVLPRSNLSFM-IWQAVIMZSA-N	-1	2	472.284	4.260	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408945930	570083514	/nfs/dbraw/zinc/08/35/14/570083514.db2.gz	OHWMMJAQKSTKCJ-DJKKODMXSA-N	-1	2	481.867	4.251	40	10		JICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1	ZINC000409069515	570117725	/nfs/dbraw/zinc/11/77/25/570117725.db2.gz	JIPZMAHHHXSXJD-CPNJWEJPSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1	ZINC000408935677	570081333	/nfs/dbraw/zinc/08/13/33/570081333.db2.gz	DIYKWVCEKNZUPE-XDHOZWIPSA-N	-1	2	476.872	4.284	40	10		JICBLM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409191401	570162120	/nfs/dbraw/zinc/16/21/20/570162120.db2.gz	GNXHKHJGXUJSBV-BTAWCLGRSA-N	-1	2	472.284	4.260	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248312	195395891	/nfs/dbraw/zinc/39/58/91/195395891.db2.gz	GGKQDORXMMKUHR-RGVLZGJSSA-N	-1	2	477.904	4.421	40	10		JICBLM
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	ZINC000408902105	570069102	/nfs/dbraw/zinc/06/91/02/570069102.db2.gz	GEBWZZGUPWNYOM-LPYMAVHISA-N	-1	2	483.455	4.193	40	10		JICBLM
Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409069824	570117774	/nfs/dbraw/zinc/11/77/74/570117774.db2.gz	WXOGBRMAWGNARN-UUILKARUSA-N	-1	2	483.691	4.085	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1	ZINC000409073088	570119119	/nfs/dbraw/zinc/11/91/19/570119119.db2.gz	UWGAKOSPQUQJJL-HAHDFKILSA-N	-1	2	486.480	4.029	40	10		JICBLM
Nc1c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004522188	194391611	/nfs/dbraw/zinc/39/16/11/194391611.db2.gz	LEFKRJUXUIRAEN-OCOZRVBESA-N	-1	2	483.531	4.280	40	10		JICBLM
O=C([O-])c1ccc(Cn2cc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)o1	ZINC000016525444	556142062	/nfs/dbraw/zinc/14/20/62/556142062.db2.gz	WDOHBPCHEKKVOY-GIJQJNRQSA-N	-1	2	499.435	4.216	40	10		JICBLM
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000217684736	569881031	/nfs/dbraw/zinc/88/10/31/569881031.db2.gz	MIYPDJUSRAYWCW-YOSAUDMPSA-N	-1	2	476.558	4.419	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1	ZINC000408941930	570082835	/nfs/dbraw/zinc/08/28/35/570082835.db2.gz	QDQSFGQRTQMOFC-DEDYPNTBSA-N	-1	2	476.872	4.284	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cc(C(=O)[O-])ccc3C)c2C)C1=O	ZINC000409223998	570175410	/nfs/dbraw/zinc/17/54/10/570175410.db2.gz	GZLXIXGTDHAANM-DEDYPNTBSA-N	-1	2	487.512	4.166	40	10		JICBLM
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446204	525287455	/nfs/dbraw/zinc/28/74/55/525287455.db2.gz	MIYPDJUSRAYWCW-REHUZNOOSA-N	-1	2	476.558	4.419	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408778000	570040691	/nfs/dbraw/zinc/04/06/91/570040691.db2.gz	NTPMDFMXFGASEE-RGVLZGJSSA-N	-1	2	477.904	4.421	40	10		JICBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)c1	ZINC000408910434	570072344	/nfs/dbraw/zinc/07/23/44/570072344.db2.gz	KGFCWWNQFDYEOZ-LPYMAVHISA-N	-1	2	487.512	4.166	40	10		JICBLM
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2)c1	ZINC000408938518	570082039	/nfs/dbraw/zinc/08/20/39/570082039.db2.gz	KSFQOUSVCQZGMZ-OEAKJJBVSA-N	-1	2	470.481	4.247	40	10		JICBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000409107242	570130691	/nfs/dbraw/zinc/13/06/91/570130691.db2.gz	RJTJHGUUWZNHHD-LFIBNONCSA-N	-1	2	470.268	4.149	40	10		JICBLM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409191402	570162142	/nfs/dbraw/zinc/16/21/42/570162142.db2.gz	GNXHKHJGXUJSBV-ZRRZQRFHSA-N	-1	2	472.284	4.260	40	10		JICBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000409241123	570182022	/nfs/dbraw/zinc/18/20/22/570182022.db2.gz	RKIUTHYEUZGKIA-LFIBNONCSA-N	-1	2	470.268	4.149	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1C	ZINC000408544056	570192293	/nfs/dbraw/zinc/19/22/93/570192293.db2.gz	ULMZULRNHRYBRU-CIAFOILYSA-N	-1	2	483.480	4.264	40	10		JICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)c1	ZINC000408774273	570039822	/nfs/dbraw/zinc/03/98/22/570039822.db2.gz	UIMYEMBXZQFHEZ-OEAKJJBVSA-N	-1	2	470.481	4.247	40	10		JICBLM
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1	ZINC000409072493	570118826	/nfs/dbraw/zinc/11/88/26/570118826.db2.gz	CIDDSALYVLXXDS-BKUYFWCQSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc3c(ccn3[C@@H](C)C(=O)[O-])c2)C1=O	ZINC000409188226	570161077	/nfs/dbraw/zinc/16/10/77/570161077.db2.gz	BWBLJTAJEBCBMI-HNEYUBDGSA-N	-1	2	496.317	4.024	40	10		JICBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)o1	ZINC000001185855	194064280	/nfs/dbraw/zinc/06/42/80/194064280.db2.gz	CLLDKRMIDVGSPA-WQRHYEAKSA-N	-1	2	495.285	4.382	40	10		JICBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1	ZINC000059104577	195387977	/nfs/dbraw/zinc/38/79/77/195387977.db2.gz	POJAZXCJMWDQJZ-LICLKQGHSA-N	-1	2	460.398	4.189	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408779450	570041033	/nfs/dbraw/zinc/04/10/33/570041033.db2.gz	WYGPNTZMQVVQMT-LPYMAVHISA-N	-1	2	457.486	4.076	40	10		JICBLM
CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)c1	ZINC000408859991	570057136	/nfs/dbraw/zinc/05/71/36/570057136.db2.gz	WUVAEXVSTUEXGR-UYRXBGFRSA-N	-1	2	490.468	4.109	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408544072	570192190	/nfs/dbraw/zinc/19/21/90/570192190.db2.gz	UNVVYYKWQNAASH-FYJGNVAPSA-N	-1	2	499.479	4.046	40	10		JICBLM
O=C([O-])c1cc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1	ZINC000033421047	526342855	/nfs/dbraw/zinc/34/28/55/526342855.db2.gz	DWPVIRDDNVNQPG-NDENLUEZSA-N	-1	2	487.424	4.379	40	10		JICBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000408756632	570035738	/nfs/dbraw/zinc/03/57/38/570035738.db2.gz	SXEHAPFUMFKDKN-GZTJUZNOSA-N	-1	2	450.834	4.273	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408790646	570043858	/nfs/dbraw/zinc/04/38/58/570043858.db2.gz	TXTVIYCPXHPKJD-UDWIEESQSA-N	-1	2	477.904	4.421	40	10		JICBLM
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000408956782	570084955	/nfs/dbraw/zinc/08/49/55/570084955.db2.gz	YKPFDXMENKOCMA-SSDVNMTOSA-N	-1	2	487.512	4.435	40	10		JICBLM
COc1ccc(N2N=C(C)C(C(C)=Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)C2=O)cc1	ZINC000020286501	555755136	/nfs/dbraw/zinc/75/51/36/555755136.db2.gz	ODGLMAJXADOEKH-JWGURIENSA-N	-1	2	495.561	4.209	40	10		JICBLM
COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)c2=O)cc1	ZINC000020286501	555755138	/nfs/dbraw/zinc/75/51/38/555755138.db2.gz	ODGLMAJXADOEKH-JWGURIENSA-N	-1	2	495.561	4.209	40	10		JICBLM
Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)c1	ZINC000408777340	570040548	/nfs/dbraw/zinc/04/05/48/570040548.db2.gz	YXCKYKQOPAIBIK-OEAKJJBVSA-N	-1	2	470.481	4.247	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408848744	570055134	/nfs/dbraw/zinc/05/51/34/570055134.db2.gz	SIPCJXJZZLUGDK-LPYMAVHISA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408910425	570072307	/nfs/dbraw/zinc/07/23/07/570072307.db2.gz	KFKRMCPWXSNUQZ-FYJGNVAPSA-N	-1	2	471.513	4.384	40	10		JICBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408960494	570085700	/nfs/dbraw/zinc/08/57/00/570085700.db2.gz	MGQJGLBEOMTFJW-HYARGMPZSA-N	-1	2	486.480	4.029	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1C	ZINC000409070504	570118062	/nfs/dbraw/zinc/11/80/62/570118062.db2.gz	YQYKGTPUWKQCSV-UCQKPKSFSA-N	-1	2	470.481	4.247	40	10		JICBLM
CC[NH+](CC)c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000100495818	569762173	/nfs/dbraw/zinc/76/21/73/569762173.db2.gz	OTSPYZDKVBQITH-QURGRASLSA-N	-1	2	495.535	4.006	40	10		JICBLM
Nc1c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000104344399	569845144	/nfs/dbraw/zinc/84/51/44/569845144.db2.gz	BQXIJMZYHOOACT-FCQUAONHSA-N	-1	2	489.560	4.341	40	10		JICBLM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000408768200	570038350	/nfs/dbraw/zinc/03/83/50/570038350.db2.gz	CTYQJTAHVGXFMU-FYJGNVAPSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408778243	570040824	/nfs/dbraw/zinc/04/08/24/570040824.db2.gz	CJHNUCPBXFSRIZ-WSDLNYQXSA-N	-1	2	471.513	4.384	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408779172	570040977	/nfs/dbraw/zinc/04/09/77/570040977.db2.gz	BIBXBDIQCJMERX-CIAFOILYSA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408844410	570054206	/nfs/dbraw/zinc/05/42/06/570054206.db2.gz	IGVGHNNSCQYRTB-WSDLNYQXSA-N	-1	2	471.513	4.384	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408990270	570093812	/nfs/dbraw/zinc/09/38/12/570093812.db2.gz	WPVYJIKFZKNZBR-HMAPJEAMSA-N	-1	2	457.486	4.021	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1	ZINC000408990612	570093975	/nfs/dbraw/zinc/09/39/75/570093975.db2.gz	XPNHQNHIYJNXTE-QPEQYQDCSA-N	-1	2	494.139	4.146	40	10		JICBLM
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1	ZINC000409068498	570117313	/nfs/dbraw/zinc/11/73/13/570117313.db2.gz	RRBCERRVBUZUHC-MTJSOVHGSA-N	-1	2	476.872	4.284	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409224426	570175569	/nfs/dbraw/zinc/17/55/69/570175569.db2.gz	HPCNYDAWKVCWJB-QGOAFFKASA-N	-1	2	460.442	4.018	40	10		JICBLM
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104225880	569843392	/nfs/dbraw/zinc/84/33/92/569843392.db2.gz	SDGXNXPUMOPSLD-DDJBQFQUSA-N	-1	2	496.936	4.047	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	ZINC000408940671	570082543	/nfs/dbraw/zinc/08/25/43/570082543.db2.gz	OLADJUBORIRZTB-YBFXNURJSA-N	-1	2	494.862	4.423	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000059104139	195387677	/nfs/dbraw/zinc/38/76/77/195387677.db2.gz	PHBNFLJQSUVVNH-VXLYETTFSA-N	-1	2	473.441	4.028	40	10		JICBLM
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000083327240	569708695	/nfs/dbraw/zinc/70/86/95/569708695.db2.gz	FOQQXDNNDMZMQP-WUXMJOGZSA-N	-1	2	466.631	4.223	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000408962890	570086647	/nfs/dbraw/zinc/08/66/47/570086647.db2.gz	VQUFAAGOGWSWPU-DEDYPNTBSA-N	-1	2	460.442	4.018	40	10		JICBLM
O=C([O-])c1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1	ZINC000409044447	570108311	/nfs/dbraw/zinc/10/83/11/570108311.db2.gz	CWXQCTKSMNZUCF-NDENLUEZSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409234897	570179239	/nfs/dbraw/zinc/17/92/39/570179239.db2.gz	AHFWPNMLQNNZHS-XDHOZWIPSA-N	-1	2	477.904	4.421	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C1=O	ZINC000409250802	570185764	/nfs/dbraw/zinc/18/57/64/570185764.db2.gz	SGOBJUZZKLXBFN-XSFVSMFZSA-N	-1	2	487.512	4.166	40	10		JICBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	ZINC000001186475	524190538	/nfs/dbraw/zinc/19/05/38/524190538.db2.gz	MXZRIRPUFHVWCU-WQRHYEAKSA-N	-1	2	495.285	4.382	40	10		JICBLM
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)ccc1Br	ZINC000004482526	554477758	/nfs/dbraw/zinc/47/77/58/554477758.db2.gz	KGJVAEHXNMFEHJ-GZTJUZNOSA-N	-1	2	495.285	4.382	40	10		JICBLM
Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)ccc1Br	ZINC000408759358	570036437	/nfs/dbraw/zinc/03/64/37/570036437.db2.gz	CRUWAMDBFCOCLT-BOPFTXTBSA-N	-1	2	495.285	4.382	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408771161	570038878	/nfs/dbraw/zinc/03/88/78/570038878.db2.gz	DCOGJYXNHCARJF-RGVLZGJSSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408788026	570043604	/nfs/dbraw/zinc/04/36/04/570043604.db2.gz	CIIMZOHUWXHEHY-YBFXNURJSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408791206	570043985	/nfs/dbraw/zinc/04/39/85/570043985.db2.gz	WZHHWBDCNOWTHV-WOJGMQOQSA-N	-1	2	450.834	4.273	40	10		JICBLM
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000408948780	570083750	/nfs/dbraw/zinc/08/37/50/570083750.db2.gz	GQYCSNICWGBNSC-SRZZPIQSSA-N	-1	2	487.512	4.435	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C2=O)cc1	ZINC000408981861	570090951	/nfs/dbraw/zinc/09/09/51/570090951.db2.gz	DEFMXNHTMKGGEC-HMAPJEAMSA-N	-1	2	471.513	4.330	40	10		JICBLM
O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409045023	570108404	/nfs/dbraw/zinc/10/84/04/570108404.db2.gz	XLSILKZNBMTIKF-AQTBWJFISA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc3c(ccn3[C@H](C)C(=O)[O-])c2)C1=O	ZINC000409188229	570161064	/nfs/dbraw/zinc/16/10/64/570161064.db2.gz	BWBLJTAJEBCBMI-VVBXCHJUSA-N	-1	2	496.317	4.024	40	10		JICBLM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)ccc21	ZINC000409193625	570162793	/nfs/dbraw/zinc/16/27/93/570162793.db2.gz	IBWLVPIQQZVKKN-BTAWCLGRSA-N	-1	2	472.284	4.260	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000014132923	555700572	/nfs/dbraw/zinc/70/05/72/555700572.db2.gz	RKEFYGQYXSEVQX-YBFXNURJSA-N	-1	2	477.904	4.421	40	10		JICBLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000016216917	556129827	/nfs/dbraw/zinc/12/98/27/556129827.db2.gz	OLBBIYHSQCOBGD-UDWIEESQSA-N	-1	2	485.452	4.496	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C2=O)cc1	ZINC000059533521	569606552	/nfs/dbraw/zinc/60/65/52/569606552.db2.gz	HYVCYOTWRNUUNC-HAHDFKILSA-N	-1	2	470.481	4.193	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408939880	570082337	/nfs/dbraw/zinc/08/23/37/570082337.db2.gz	ISUUUHITXIYKNU-RGVLZGJSSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408942850	570082926	/nfs/dbraw/zinc/08/29/26/570082926.db2.gz	QXYIYLFXSIEYSJ-HYARGMPZSA-N	-1	2	470.481	4.247	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408985511	570092063	/nfs/dbraw/zinc/09/20/63/570092063.db2.gz	KVKWBRKKCMEQJK-JAIQZWGSSA-N	-1	2	477.904	4.421	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000409228109	570176411	/nfs/dbraw/zinc/17/64/11/570176411.db2.gz	UEDMRKQTXHLRRA-FOWTUZBSSA-N	-1	2	480.860	4.363	40	10		JICBLM
Nc1c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(S(=O)(=O)[O-])c2ccccc12	ZINC000004522194	194391662	/nfs/dbraw/zinc/39/16/62/194391662.db2.gz	BQXIJMZYHOOACT-GHVJWSGMSA-N	-1	2	489.560	4.341	40	10		JICBLM
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)nc(C)n1	ZINC000012446200	525288239	/nfs/dbraw/zinc/28/82/39/525288239.db2.gz	MIYPDJUSRAYWCW-NMMYMHLASA-N	-1	2	476.558	4.419	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1Cl	ZINC000033931775	569638009	/nfs/dbraw/zinc/63/80/09/569638009.db2.gz	HGSUBUKWNDKVMP-GZTJUZNOSA-N	-1	2	450.834	4.477	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C2=O)cc1C	ZINC000408773025	570039337	/nfs/dbraw/zinc/03/93/37/570039337.db2.gz	OSBKQPDBUJEROE-OEAKJJBVSA-N	-1	2	470.481	4.247	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408845302	570054447	/nfs/dbraw/zinc/05/44/47/570054447.db2.gz	FXVBVGRRGLEAIL-FYJGNVAPSA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408846251	570054633	/nfs/dbraw/zinc/05/46/33/570054633.db2.gz	HYBFSRWDBNVKFR-YBFXNURJSA-N	-1	2	477.904	4.421	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1	ZINC000408945859	570083509	/nfs/dbraw/zinc/08/35/09/570083509.db2.gz	XOXLFAGMSIQSIA-FYJGNVAPSA-N	-1	2	476.872	4.284	40	10		JICBLM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000409097876	570127330	/nfs/dbraw/zinc/12/73/30/570127330.db2.gz	OSNFRROLFLYXTP-MHWRWJLKSA-N	-1	2	470.268	4.149	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000408940670	570082576	/nfs/dbraw/zinc/08/25/76/570082576.db2.gz	OKSNTHYRLDQLTJ-FYJGNVAPSA-N	-1	2	476.872	4.284	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000409243915	570183215	/nfs/dbraw/zinc/18/32/15/570183215.db2.gz	YXSMLJBBKBQEDK-FOWTUZBSSA-N	-1	2	480.860	4.363	40	10		JICBLM
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000009311138	555087490	/nfs/dbraw/zinc/08/74/90/555087490.db2.gz	NSRSKRPWSRSHFK-CHHVJCJISA-N	-1	2	477.300	4.247	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000009323474	555096516	/nfs/dbraw/zinc/09/65/16/555096516.db2.gz	WMEWJWKXVPAAJK-MOSHPQCFSA-N	-1	2	460.442	4.018	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1	ZINC000408936579	570081555	/nfs/dbraw/zinc/08/15/55/570081555.db2.gz	GTDJJNQFPODJFB-DEDYPNTBSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408953426	570084448	/nfs/dbraw/zinc/08/44/48/570084448.db2.gz	WIMHZAIQXTUMIW-LICLKQGHSA-N	-1	2	481.867	4.251	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408961707	570086195	/nfs/dbraw/zinc/08/61/95/570086195.db2.gz	UUNXWAVIVVSTMP-PXLXIMEGSA-N	-1	2	486.480	4.029	40	10		JICBLM
O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000409070680	570118091	/nfs/dbraw/zinc/11/80/91/570118091.db2.gz	OLWNNKFFJXVCDI-XDHOZWIPSA-N	-1	2	476.872	4.284	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000409233274	570178692	/nfs/dbraw/zinc/17/86/92/570178692.db2.gz	FERULZRFLWACFV-QGOAFFKASA-N	-1	2	460.442	4.018	40	10		JICBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000409233751	570178810	/nfs/dbraw/zinc/17/88/10/570178810.db2.gz	WQPUZPWJHKPHIO-LFIBNONCSA-N	-1	2	450.834	4.273	40	10		JICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O	ZINC000408544552	570192500	/nfs/dbraw/zinc/19/25/00/570192500.db2.gz	URXDGCILCHHWKH-DEDYPNTBSA-N	-1	2	483.480	4.210	40	10		JICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)C1C(=O)N(c2ccc(F)cc2)N=C1C	ZINC000020286504	555755173	/nfs/dbraw/zinc/75/51/73/555755173.db2.gz	YOHJDTVANXGBKL-QNGOZBTKSA-N	-1	2	483.525	4.340	40	10		JICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[nH]n(-c2ccc(F)cc2)c1=O	ZINC000020286504	555755174	/nfs/dbraw/zinc/75/51/74/555755174.db2.gz	YOHJDTVANXGBKL-QNGOZBTKSA-N	-1	2	483.525	4.340	40	10		JICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)C1C(=O)N(c2ccccc2)N=C1C	ZINC000103526673	569835699	/nfs/dbraw/zinc/83/56/99/569835699.db2.gz	LATJKRVDFVQKMS-LTGZKZEYSA-N	-1	2	465.535	4.201	40	10		JICBLM
CC(=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O	ZINC000103526673	569835701	/nfs/dbraw/zinc/83/57/01/569835701.db2.gz	LATJKRVDFVQKMS-LTGZKZEYSA-N	-1	2	465.535	4.201	40	10		JICBLM
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104225870	569843340	/nfs/dbraw/zinc/84/33/40/569843340.db2.gz	SDGXNXPUMOPSLD-ZELGORGJSA-N	-1	2	496.936	4.047	40	10		JICBLM
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104225885	569843350	/nfs/dbraw/zinc/84/33/50/569843350.db2.gz	SDGXNXPUMOPSLD-QTJUSOIVSA-N	-1	2	496.936	4.047	40	10		JICBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c1	ZINC000408960154	570085558	/nfs/dbraw/zinc/08/55/58/570085558.db2.gz	COKBQSKJURJDCA-DEDYPNTBSA-N	-1	2	460.442	4.018	40	10		JICBLM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)o1	ZINC000408961887	570086287	/nfs/dbraw/zinc/08/62/87/570086287.db2.gz	PFYAZQXWUBEXPJ-WOJGMQOQSA-N	-1	2	450.834	4.273	40	10		JICBLM
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1	ZINC000409048211	570109221	/nfs/dbraw/zinc/10/92/21/570109221.db2.gz	RKRBNVDFMGNUAK-JCMHNJIXSA-N	-1	2	486.480	4.029	40	10		JICBLM
O=C([O-])c1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c2)cc1	ZINC000409064993	570115916	/nfs/dbraw/zinc/11/59/16/570115916.db2.gz	JWKVUDDXBSKFDT-UYRXBGFRSA-N	-1	2	476.872	4.284	40	10		JICBLM
Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C1=O	ZINC000409066758	570116642	/nfs/dbraw/zinc/11/66/42/570116642.db2.gz	CMBNNJMLTDUQFX-VZUCSPMQSA-N	-1	2	483.691	4.085	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215942	570172449	/nfs/dbraw/zinc/17/24/49/570172449.db2.gz	CGYKCXPXHAMJEY-YBFXNURJSA-N	-1	2	463.877	4.112	40	10		JICBLM
CC[NH+](CC)c1ccc(NN=C2C(=O)c3c(O)cc(S(=O)(=O)[O-])cc3C=C2S(=O)(=O)[O-])cc1	ZINC000025694223	556230506	/nfs/dbraw/zinc/23/05/06/556230506.db2.gz	OTSPYZDKVBQITH-DQRAZIAOSA-N	-1	2	495.535	4.006	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408772820	570039314	/nfs/dbraw/zinc/03/93/14/570039314.db2.gz	IDVNLXZGKKCRJC-XDHOZWIPSA-N	-1	2	463.877	4.112	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408781230	570041560	/nfs/dbraw/zinc/04/15/60/570041560.db2.gz	AVNYNBVEEOJKTF-FYJGNVAPSA-N	-1	2	457.486	4.076	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)cc1	ZINC000408984616	570091854	/nfs/dbraw/zinc/09/18/54/570091854.db2.gz	JIJTUVKLHCVXRI-HMAPJEAMSA-N	-1	2	457.486	4.021	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408846034	570054560	/nfs/dbraw/zinc/05/45/60/570054560.db2.gz	OKZKPKZNNUZGEI-RGVLZGJSSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C2=O)cc1	ZINC000408901100	570068539	/nfs/dbraw/zinc/06/85/39/570068539.db2.gz	VNMLQPPYUZBXMO-OEAKJJBVSA-N	-1	2	479.492	4.363	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	ZINC000408940381	570082481	/nfs/dbraw/zinc/08/24/81/570082481.db2.gz	NWTVWIIDZHJDAP-WOJGMQOQSA-N	-1	2	494.862	4.423	40	10		JICBLM
CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C1=O	ZINC000409207807	570167825	/nfs/dbraw/zinc/16/78/25/570167825.db2.gz	AIVIFNMLGUDSEO-XSFVSMFZSA-N	-1	2	457.486	4.021	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000009265359	194647847	/nfs/dbraw/zinc/64/78/47/194647847.db2.gz	XYUWSZLPYKSYRW-MOSHPQCFSA-N	-1	2	457.486	4.076	40	10		JICBLM
O=C([O-])COc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br	ZINC000059135151	195389513	/nfs/dbraw/zinc/38/95/13/195389513.db2.gz	JUFVNHPHRQCPGL-LFYBBSHMSA-N	-1	2	497.660	4.212	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408912241	570073334	/nfs/dbraw/zinc/07/33/34/570073334.db2.gz	QBWJWKWQMHTLTK-GIJQJNRQSA-N	-1	2	481.867	4.251	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	ZINC000408943320	570083072	/nfs/dbraw/zinc/08/30/72/570083072.db2.gz	RRWSOVUVDFPMIU-UDWIEESQSA-N	-1	2	494.862	4.423	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408989661	570093495	/nfs/dbraw/zinc/09/34/95/570093495.db2.gz	UXHOFKLWFOLSFS-JAIQZWGSSA-N	-1	2	477.904	4.421	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408853777	570056018	/nfs/dbraw/zinc/05/60/18/570056018.db2.gz	RSXOFAHAVSNWOC-LPYMAVHISA-N	-1	2	471.513	4.384	40	10		JICBLM
CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408542041	570191768	/nfs/dbraw/zinc/19/17/68/570191768.db2.gz	JKYRSTDWLQWBGD-FYJGNVAPSA-N	-1	2	483.480	4.210	40	10		JICBLM
Cc1[n-]n(C(=O)c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1	ZINC000104225874	569843348	/nfs/dbraw/zinc/84/33/48/569843348.db2.gz	SDGXNXPUMOPSLD-RMBMZXQHSA-N	-1	2	496.936	4.047	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408772805	570039355	/nfs/dbraw/zinc/03/93/55/570039355.db2.gz	IBORYJRADUFLDS-FYJGNVAPSA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408849745	570055291	/nfs/dbraw/zinc/05/52/91/570055291.db2.gz	YHGQMPUEUPYFGD-LPYMAVHISA-N	-1	2	471.513	4.384	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1C	ZINC000408853119	570055915	/nfs/dbraw/zinc/05/59/15/570055915.db2.gz	YSRKFOWPRANKTR-AWNIVKPZSA-N	-1	2	494.139	4.200	40	10		JICBLM
O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4n3Cc3ccccc3F)C2=O)cc1	ZINC000408933589	570080791	/nfs/dbraw/zinc/08/07/91/570080791.db2.gz	AZIJVDZNDKQALD-KGENOOAVSA-N	-1	2	483.455	4.193	40	10		JICBLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000408962173	570086353	/nfs/dbraw/zinc/08/63/53/570086353.db2.gz	WXHUQZBSVGCKMB-KGENOOAVSA-N	-1	2	470.481	4.247	40	10		JICBLM
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000409242144	570182380	/nfs/dbraw/zinc/18/23/80/570182380.db2.gz	MSDGOIRACHTCME-VBKFSLOCSA-N	-1	2	480.860	4.363	40	10		JICBLM
CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000009263174	555037743	/nfs/dbraw/zinc/03/77/43/555037743.db2.gz	BOWUNTUMNPGHIU-PDGQHHTCSA-N	-1	2	480.860	4.363	40	10		JICBLM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000408761126	570036904	/nfs/dbraw/zinc/03/69/04/570036904.db2.gz	CCMPQWLMCOYENO-GZTJUZNOSA-N	-1	2	450.834	4.273	40	10		JICBLM
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408772974	570039321	/nfs/dbraw/zinc/03/93/21/570039321.db2.gz	OMPWRHJSSRPJDJ-UDWIEESQSA-N	-1	2	463.877	4.112	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408783393	570042331	/nfs/dbraw/zinc/04/23/31/570042331.db2.gz	KYPIHXUAKQTZFF-FYJGNVAPSA-N	-1	2	457.486	4.076	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408784738	570042628	/nfs/dbraw/zinc/04/26/28/570042628.db2.gz	WYZVFMFZKQRRJA-LPYMAVHISA-N	-1	2	471.513	4.384	40	10		JICBLM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408932270	570080460	/nfs/dbraw/zinc/08/04/60/570080460.db2.gz	VFIUGMDFMKCCFH-RVDMUPIBSA-N	-1	2	470.268	4.149	40	10		JICBLM
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409203705	570166640	/nfs/dbraw/zinc/16/66/40/570166640.db2.gz	XJKJXYXDAVSHMY-DEDYPNTBSA-N	-1	2	457.486	4.076	40	10		JICBLM