smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000059135319	195389906	/nfs/dbraw/zinc/38/99/06/195389906.db2.gz	PTFXRBNSIDYBOF-UDWIEESQSA-N	-2	0	461.449	4.747	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000059136228	195391312	/nfs/dbraw/zinc/39/13/12/195391312.db2.gz	TWEZIAHTMBVOAR-LDADJPATSA-N	-2	0	477.517	4.911	40	10		JJCBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1	ZINC000033352688	526234583	/nfs/dbraw/zinc/23/45/83/526234583.db2.gz	KFZCZJOMZNSNQO-LFIBNONCSA-N	-2	0	450.447	4.764	40	10		JJCBRL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000026465044	556254833	/nfs/dbraw/zinc/25/48/33/556254833.db2.gz	HCBYFPGXSLORAO-QGOAFFKASA-N	-2	0	460.417	4.610	40	10		JJCBRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000083327236	569708703	/nfs/dbraw/zinc/70/87/03/569708703.db2.gz	NEWJHOJUYOAZNI-WUXMJOGZSA-N	-2	0	456.079	4.968	40	10		JJCBRL
O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1cccc2ccccc21	ZINC000100134218	569753578	/nfs/dbraw/zinc/75/35/78/569753578.db2.gz	HOQKGCIZHZIZQS-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10	in-vitro	JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1C	ZINC000408762307	570037076	/nfs/dbraw/zinc/03/70/76/570037076.db2.gz	JYYIXXVDHINLFE-WOJGMQOQSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408858353	570056944	/nfs/dbraw/zinc/05/69/44/570056944.db2.gz	OVGAEYVNFHNSLX-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1	ZINC000408985074	570091957	/nfs/dbraw/zinc/09/19/57/570091957.db2.gz	UWZQDXHUYJODLO-PDGQHHTCSA-N	-2	0	464.861	4.527	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408985098	570091979	/nfs/dbraw/zinc/09/19/79/570091979.db2.gz	VFHJXHPANDAICU-JAIQZWGSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1OCC	ZINC000409190474	570161732	/nfs/dbraw/zinc/16/17/32/570161732.db2.gz	OFFLUEVQMXTVRN-OVCLIPMQSA-N	-2	0	493.343	4.549	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409193356	570162765	/nfs/dbraw/zinc/16/27/65/570162765.db2.gz	JNYISQGMZLCCQL-GDNBJRDFSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409203309	570166371	/nfs/dbraw/zinc/16/63/71/570166371.db2.gz	WINNSLGYJQYTMQ-LICLKQGHSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000409245542	570184000	/nfs/dbraw/zinc/18/40/00/570184000.db2.gz	VKWWXYNJDRZKBA-XNTDXEJSSA-N	-2	0	485.279	4.926	40	10		JJCBRL
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)cc2)cc1	ZINC000059135114	195389694	/nfs/dbraw/zinc/38/96/94/195389694.db2.gz	REYRILFTDKRKKU-FYJGNVAPSA-N	-2	0	460.417	4.610	40	10		JJCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1	ZINC000009233857	555007153	/nfs/dbraw/zinc/00/71/53/555007153.db2.gz	KUQNNBQXOVKGGI-VCHYOVAHSA-N	-2	0	496.478	4.657	40	10		JJCBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000108192917	569858963	/nfs/dbraw/zinc/85/89/63/569858963.db2.gz	DGTSSPXRVLRXDQ-JLPGSUDCSA-N	-2	0	498.535	4.552	40	10		JJCBRL
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)[N-]C1=S	ZINC000408739818	570031665	/nfs/dbraw/zinc/03/16/65/570031665.db2.gz	ASRRPWHYJZVXMF-SDQBBNPISA-N	-2	0	486.174	4.601	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000408751747	570034502	/nfs/dbraw/zinc/03/45/02/570034502.db2.gz	CATBCBVIOBNKLA-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	ZINC000408852342	570055829	/nfs/dbraw/zinc/05/58/29/570055829.db2.gz	JTGGOZPHDNBTNV-FSJBWODESA-N	-2	0	470.525	4.519	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)cc1	ZINC000408982572	570091159	/nfs/dbraw/zinc/09/11/59/570091159.db2.gz	HYXMDGGQQIHBMQ-PDGQHHTCSA-N	-2	0	464.861	4.527	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000409041097	570107495	/nfs/dbraw/zinc/10/74/95/570107495.db2.gz	IHCONMFMKYIWOT-UYRXBGFRSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C1=O	ZINC000409057730	570112597	/nfs/dbraw/zinc/11/25/97/570112597.db2.gz	QNDYVCSFLLZYNE-NDENLUEZSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c3ccccc32)c1	ZINC000409196278	570163590	/nfs/dbraw/zinc/16/35/90/570163590.db2.gz	VENOLSBTPTXVNB-OEAKJJBVSA-N	-2	0	495.560	4.528	40	10		JJCBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl	ZINC000016385938	526359103	/nfs/dbraw/zinc/35/91/03/526359103.db2.gz	UUJIHSLMJUTLMM-DHDCSXOGSA-N	-2	0	480.816	4.534	40	10		JJCBRL
O=S(=O)([O-])c1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1cccc3ccccc31)c2O	ZINC000004803996	527261500	/nfs/dbraw/zinc/26/15/00/527261500.db2.gz	NJWLGVOMWIUJAR-QURGRASLSA-N	-2	0	458.473	4.607	40	10		JJCBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)n1	ZINC000004972349	554484095	/nfs/dbraw/zinc/48/40/95/554484095.db2.gz	JZLPUVLJTQAKEQ-OCEACIFDSA-N	-2	0	463.475	4.558	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1C	ZINC000408785956	570043101	/nfs/dbraw/zinc/04/31/01/570043101.db2.gz	CNBKXPUXSGIWOY-WOJGMQOQSA-N	-2	0	480.929	4.746	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1	ZINC000408936328	570081488	/nfs/dbraw/zinc/08/14/88/570081488.db2.gz	FPUJPIJGGQKYDY-PCLIKHOPSA-N	-2	0	492.487	4.783	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc43)C2=O)cc1	ZINC000408938596	570082073	/nfs/dbraw/zinc/08/20/73/570082073.db2.gz	LDMNURRLICYVEO-LFVJCYFKSA-N	-2	0	492.487	4.783	40	10		JJCBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408965524	570087232	/nfs/dbraw/zinc/08/72/32/570087232.db2.gz	IFSMBTUGVADNKC-MHWRWJLKSA-N	-2	0	484.892	4.577	40	10		JJCBRL
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1	ZINC000409012880	570100038	/nfs/dbraw/zinc/10/00/38/570100038.db2.gz	LHTJUBXBTQVNGK-WQRHYEAKSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409095018	570126291	/nfs/dbraw/zinc/12/62/91/570126291.db2.gz	AVIRQOAOAAXOFB-GZTJUZNOSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409249440	570185425	/nfs/dbraw/zinc/18/54/25/570185425.db2.gz	JDFBEISGMSIBEA-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1	ZINC000409328784	570203107	/nfs/dbraw/zinc/20/31/07/570203107.db2.gz	AZVADKGUZJZJKP-ZDLGFXPLSA-N	-2	0	496.478	4.657	40	10		JJCBRL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033321559	521959647	/nfs/dbraw/zinc/95/96/47/521959647.db2.gz	CGPBDIKUCQOWOH-BKUYFWCQSA-N	-2	0	486.480	4.788	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000004804160	554482311	/nfs/dbraw/zinc/48/23/11/554482311.db2.gz	FNSFKCGGKCRLFJ-QURGRASLSA-N	-2	0	458.473	4.607	40	10		JJCBRL
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000100084159	569752669	/nfs/dbraw/zinc/75/26/69/569752669.db2.gz	ZCAKEHCEAIODEQ-GZTJUZNOSA-N	-2	0	450.834	4.803	40	10		JJCBRL
O=C([O-])C1=c2ccccc2=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000104123587	569841190	/nfs/dbraw/zinc/84/11/90/569841190.db2.gz	SOENMTNLSXPXBX-FCQUAONHSA-N	-2	0	454.489	4.916	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1cc2c(cccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1	ZINC000104366874	569845410	/nfs/dbraw/zinc/84/54/10/569845410.db2.gz	FNSFKCGGKCRLFJ-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10		JJCBRL
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000208471602	569875530	/nfs/dbraw/zinc/87/55/30/569875530.db2.gz	ATTXOWDRBVJOKC-LDADJPATSA-N	-2	0	496.928	4.528	40	10		JJCBRL
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000214588167	569876775	/nfs/dbraw/zinc/87/67/75/569876775.db2.gz	ZQZQAQZVWIQGSX-RGVLZGJSSA-N	-2	0	463.467	4.888	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408784198	570042419	/nfs/dbraw/zinc/04/24/19/570042419.db2.gz	UMPXPBRAGXZCFO-RGVLZGJSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408910006	570072179	/nfs/dbraw/zinc/07/21/79/570072179.db2.gz	IMZBNCCIAHSRCI-FYJGNVAPSA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408947468	570083726	/nfs/dbraw/zinc/08/37/26/570083726.db2.gz	QBPYWOJUERKGRX-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409008943	570098875	/nfs/dbraw/zinc/09/88/75/570098875.db2.gz	AOLQPNZKTHVGKQ-LPYMAVHISA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000409064355	570115827	/nfs/dbraw/zinc/11/58/27/570115827.db2.gz	CQMRXGMYYAXEEF-CIAFOILYSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	ZINC000409102960	570129095	/nfs/dbraw/zinc/12/90/95/570129095.db2.gz	UWXYATFKAXWFLJ-XNTDXEJSSA-N	-2	0	485.279	4.926	40	10		JJCBRL
CCCOc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1OCC	ZINC000409192943	570162518	/nfs/dbraw/zinc/16/25/18/570162518.db2.gz	GKBIXACDZBYUMO-MHWRWJLKSA-N	-2	0	493.343	4.549	40	10		JJCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c1	ZINC000409200527	570165067	/nfs/dbraw/zinc/16/50/67/570165067.db2.gz	HYHGUBHKVGFZHB-DEDYPNTBSA-N	-2	0	463.467	4.622	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409221098	570174450	/nfs/dbraw/zinc/17/44/50/570174450.db2.gz	KVFXVOQRQZRWEL-GZTJUZNOSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409228605	570176731	/nfs/dbraw/zinc/17/67/31/570176731.db2.gz	ZWDCBJDCEMXQFU-WOJGMQOQSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c1	ZINC000409229964	570177393	/nfs/dbraw/zinc/17/73/93/570177393.db2.gz	WFQZTMFXMJXZQI-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	ZINC000409231926	570178123	/nfs/dbraw/zinc/17/81/23/570178123.db2.gz	GDPWRWTXMKHVMW-FYJGNVAPSA-N	-2	0	474.538	4.908	40	10		JJCBRL
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409236671	570179982	/nfs/dbraw/zinc/17/99/82/570179982.db2.gz	SYSRWYJOMVIMSD-MOSHPQCFSA-N	-2	0	460.511	4.600	40	10		JJCBRL
O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000059135653	195390578	/nfs/dbraw/zinc/39/05/78/195390578.db2.gz	OJGUSAWJMVYASR-DEDYPNTBSA-N	-2	0	460.417	4.610	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000059136180	195391538	/nfs/dbraw/zinc/39/15/38/195391538.db2.gz	CBZHKHRVZTZPBQ-SFQUDFHCSA-N	-2	0	463.490	4.603	40	10		JJCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000002789005	554345501	/nfs/dbraw/zinc/34/55/01/554345501.db2.gz	VTKVTNMCYFDSLS-SFQUDFHCSA-N	-2	0	464.861	4.527	40	10		JJCBRL
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000107876354	569857724	/nfs/dbraw/zinc/85/77/24/569857724.db2.gz	OWYPTOUECRSIPO-ZDLGFXPLSA-N	-2	0	483.307	4.732	40	10		JJCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000408773155	570039493	/nfs/dbraw/zinc/03/94/93/570039493.db2.gz	PLTKAPFWCYYALC-SFQUDFHCSA-N	-2	0	464.861	4.527	40	10		JJCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c1C	ZINC000408782813	570042232	/nfs/dbraw/zinc/04/22/32/570042232.db2.gz	JTMFUYCYIONNSW-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408858971	570057032	/nfs/dbraw/zinc/05/70/32/570057032.db2.gz	VCYJVMXALJOAEK-RGVLZGJSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408937057	570081661	/nfs/dbraw/zinc/08/16/61/570081661.db2.gz	HPYRJYFXZAYCMS-FYJGNVAPSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408968482	570088256	/nfs/dbraw/zinc/08/82/56/570088256.db2.gz	ZKKXTGKSMAAJDV-MHWRWJLKSA-N	-2	0	484.892	4.577	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000408984407	570091701	/nfs/dbraw/zinc/09/17/01/570091701.db2.gz	QOQIMQBPHPAYEH-MTJSOVHGSA-N	-2	0	491.931	4.675	40	10		JJCBRL
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000409059156	570113183	/nfs/dbraw/zinc/11/31/83/570113183.db2.gz	UNJIXVJXVCVWPR-YBFXNURJSA-N	-2	0	483.307	4.944	40	10		JJCBRL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	ZINC000409095486	570126503	/nfs/dbraw/zinc/12/65/03/570126503.db2.gz	BHSKEVDTCKBXST-GXDHUFHOSA-N	-2	0	471.252	4.618	40	10		JJCBRL
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1C	ZINC000409131311	570140229	/nfs/dbraw/zinc/14/02/29/570140229.db2.gz	VKBNVRKYNGZGIL-BOPFTXTBSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409245227	570183825	/nfs/dbraw/zinc/18/38/25/570183825.db2.gz	PIJRINUXQUYNGO-OEAKJJBVSA-N	-2	0	487.581	4.747	40	10		JJCBRL
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409247945	570184937	/nfs/dbraw/zinc/18/49/37/570184937.db2.gz	IVANANPKHIHLEK-DEDYPNTBSA-N	-2	0	460.511	4.600	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000059135944	195391157	/nfs/dbraw/zinc/39/11/57/195391157.db2.gz	CJZKBCPUNUTLJJ-LDADJPATSA-N	-2	0	463.490	4.603	40	10		JJCBRL
O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000004972338	554484092	/nfs/dbraw/zinc/48/40/92/554484092.db2.gz	SVWTXANWDCROMS-GHVJWSGMSA-N	-2	0	454.489	4.916	40	10		JJCBRL
O=C([O-])c1cccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000015013108	555854824	/nfs/dbraw/zinc/85/48/24/555854824.db2.gz	AULHXJHNYAELDO-PTNGSMBKSA-N	-2	0	470.268	4.989	40	10		JJCBRL
O=C1c2cccc(S(=O)(=O)[O-])c2C=CC1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000013086464	556286215	/nfs/dbraw/zinc/28/62/15/556286215.db2.gz	MKQVCJWNUFUUQK-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10	in-vitro	JJCBRL
O=C([O-])c1cccc(COc2c(Cl)cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)c1	ZINC000033783239	569634740	/nfs/dbraw/zinc/63/47/40/569634740.db2.gz	JDTCKRCRXSEYQS-ZDLGFXPLSA-N	-2	0	483.307	4.732	40	10		JJCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)s1	ZINC000104123548	569841206	/nfs/dbraw/zinc/84/12/06/569841206.db2.gz	FIFCPLBMHGFHAH-FCQUAONHSA-N	-2	0	469.504	4.620	40	10		JJCBRL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1C	ZINC000408773317	570039428	/nfs/dbraw/zinc/03/94/28/570039428.db2.gz	IAFOUQBLXLSONE-GZTJUZNOSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408847542	570054793	/nfs/dbraw/zinc/05/47/93/570054793.db2.gz	NJEIQNBNZHWGGM-SRZZPIQSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])ccc4Cl)c3C)C2=O)cc1	ZINC000408981651	570090917	/nfs/dbraw/zinc/09/09/17/570090917.db2.gz	CEVQZSZDQRBPQI-NDENLUEZSA-N	-2	0	491.931	4.675	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000408983674	570091437	/nfs/dbraw/zinc/09/14/37/570091437.db2.gz	NIOLJIWGWFKEDN-JMIUGGIZSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000409190362	570161740	/nfs/dbraw/zinc/16/17/40/570161740.db2.gz	XOVCACLCKFXWNW-OEAKJJBVSA-N	-2	0	487.581	4.747	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000409192018	570162275	/nfs/dbraw/zinc/16/22/75/570162275.db2.gz	SJQPMMBDLJQWMF-GDNBJRDFSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	ZINC000409239448	570181285	/nfs/dbraw/zinc/18/12/85/570181285.db2.gz	MUQIMKDJMKUVTH-FYJGNVAPSA-N	-2	0	474.538	4.908	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409242754	570182697	/nfs/dbraw/zinc/18/26/97/570182697.db2.gz	SWWSYKBVIIUKLQ-LDADJPATSA-N	-2	0	493.972	4.585	40	10		JJCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)[N-]C1=S	ZINC000012413555	521851270	/nfs/dbraw/zinc/85/12/70/521851270.db2.gz	TYKWQFCPIIAOJG-SFQUDFHCSA-N	-2	0	480.929	4.692	40	10		JJCBRL
O=C([O-])c1ccc(COc2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)cc2)cc1	ZINC000033330903	526368765	/nfs/dbraw/zinc/36/87/65/526368765.db2.gz	DWZCSLLHSBADOY-CPNJWEJPSA-N	-2	0	476.485	4.775	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21	ZINC000104045372	569840127	/nfs/dbraw/zinc/84/01/27/569840127.db2.gz	FGGCKWDBLWGZNA-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10		JJCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000408752203	570034618	/nfs/dbraw/zinc/03/46/18/570034618.db2.gz	CDARDBXBDDIMTP-MHWRWJLKSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408785090	570042723	/nfs/dbraw/zinc/04/27/23/570042723.db2.gz	XZMWRCYDZYGFJB-VXLYETTFSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408950628	570084088	/nfs/dbraw/zinc/08/40/88/570084088.db2.gz	UAEZQMOECKDSLQ-RGVLZGJSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409020368	570102755	/nfs/dbraw/zinc/10/27/55/570102755.db2.gz	ONLOTGUHGXIIHG-LPYMAVHISA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000409191063	570161930	/nfs/dbraw/zinc/16/19/30/570161930.db2.gz	RYRXWGBRFDTKCZ-BUVRLJJBSA-N	-2	0	495.560	4.777	40	10		JJCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)o2)c1	ZINC000409228297	570176567	/nfs/dbraw/zinc/17/65/67/570176567.db2.gz	WXXOJPKCKZTCEL-GXDHUFHOSA-N	-2	0	487.320	4.783	40	10		JJCBRL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4Cl)C3=O)o2)cc1Cl	ZINC000409249618	570185467	/nfs/dbraw/zinc/18/54/67/570185467.db2.gz	NQSHIGZAFLCYFP-GXDHUFHOSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	ZINC000409250190	570185578	/nfs/dbraw/zinc/18/55/78/570185578.db2.gz	MNSKZEMMMZOQFA-FYJGNVAPSA-N	-2	0	474.538	4.908	40	10		JJCBRL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)cc1	ZINC000058849949	195384654	/nfs/dbraw/zinc/38/46/54/195384654.db2.gz	DMFCIWOJCODBJK-GLDPYIMESA-N	-2	0	490.537	4.710	40	10		JJCBRL
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1	ZINC000059136035	195391187	/nfs/dbraw/zinc/39/11/87/195391187.db2.gz	HNXFTHKHUPVSLD-WEVVVXLNSA-N	-2	0	455.692	4.619	40	10		JJCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)s1	ZINC000004972344	554484062	/nfs/dbraw/zinc/48/40/62/554484062.db2.gz	FIFCPLBMHGFHAH-GHVJWSGMSA-N	-2	0	469.504	4.620	40	10		JJCBRL
CC(C)(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000009056611	554875301	/nfs/dbraw/zinc/87/53/01/554875301.db2.gz	ZEGJUTFTGFGDJU-XSFVSMFZSA-N	-2	0	458.470	4.609	40	10		JJCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000009264710	555039816	/nfs/dbraw/zinc/03/98/16/555039816.db2.gz	MKSWMWYSSSZAJK-MTJSOVHGSA-N	-2	0	487.581	4.549	40	10		JJCBRL
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2C1=NNc1cccc2ccccc21	ZINC000012405066	555976457	/nfs/dbraw/zinc/97/64/57/555976457.db2.gz	AIOLRLMFOWGSPL-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10	in-vitro	JJCBRL
O=C([O-])c1cccc(COc2ccccc2C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1	ZINC000207098170	569874808	/nfs/dbraw/zinc/87/48/08/569874808.db2.gz	PPAGKPLUEOBSAB-AQTBWJFISA-N	-2	0	476.485	4.775	40	10		JJCBRL
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)o3)C2=O)c1	ZINC000214538676	569876774	/nfs/dbraw/zinc/87/67/74/569876774.db2.gz	KEDQVQYJXCECNO-RGVLZGJSSA-N	-2	0	463.467	4.888	40	10		JJCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C2=O)c1	ZINC000408760015	570036583	/nfs/dbraw/zinc/03/65/83/570036583.db2.gz	PZBNNAFJNCRZLZ-WOJGMQOQSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408783514	570042359	/nfs/dbraw/zinc/04/23/59/570042359.db2.gz	MFTSNNDPDNIKEF-VCHYOVAHSA-N	-2	0	498.322	4.766	40	10		JJCBRL
O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	ZINC000408901327	570068669	/nfs/dbraw/zinc/06/86/69/570068669.db2.gz	XFHYNRBATQIDDM-LPYMAVHISA-N	-2	0	499.910	4.708	40	10		JJCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O	ZINC000408954497	570084581	/nfs/dbraw/zinc/08/45/81/570084581.db2.gz	XHJPCHXWBUPMKV-UDWIEESQSA-N	-2	0	491.931	4.675	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	ZINC000408960764	570085813	/nfs/dbraw/zinc/08/58/13/570085813.db2.gz	IQXAOKKXYJCQGK-XNTDXEJSSA-N	-2	0	485.279	4.926	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4C)o3)C2=O)cc1Cl	ZINC000408985703	570092181	/nfs/dbraw/zinc/09/21/81/570092181.db2.gz	XUWXHBAQUMBNNL-WQRHYEAKSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccccc3)c(C(=O)[O-])c2)C1=O	ZINC000409045749	570108699	/nfs/dbraw/zinc/10/86/99/570108699.db2.gz	HKYLLPOUETZRBZ-UYRXBGFRSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409104827	570129778	/nfs/dbraw/zinc/12/97/78/570129778.db2.gz	IPWLGFCDBMEYNP-XDHOZWIPSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Cl)c1C	ZINC000409189088	570161313	/nfs/dbraw/zinc/16/13/13/570161313.db2.gz	IFVAEEOHEDELJI-XDHOZWIPSA-N	-2	0	493.972	4.585	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000409192364	570162386	/nfs/dbraw/zinc/16/23/86/570162386.db2.gz	BGUVKNOEAPOPRJ-GZTJUZNOSA-N	-2	0	484.942	4.614	40	10		JJCBRL
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409193321	570162612	/nfs/dbraw/zinc/16/26/12/570162612.db2.gz	IVVBNSXWUHMCCT-HFITWMCCSA-N	-2	0	474.538	4.547	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409216954	570172992	/nfs/dbraw/zinc/17/29/92/570172992.db2.gz	QAONXLRNWWTOBW-LFIBNONCSA-N	-2	0	498.322	4.766	40	10		JJCBRL
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)cc1	ZINC000409230533	570177609	/nfs/dbraw/zinc/17/76/09/570177609.db2.gz	FEWXULZVYCGDND-DEDYPNTBSA-N	-2	0	460.511	4.600	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3cccs3)C2=O)o1	ZINC000409328782	570203135	/nfs/dbraw/zinc/20/31/35/570203135.db2.gz	AZHRSTXNQWIFOB-YVLHZVERSA-N	-2	0	470.553	4.561	40	10		JJCBRL
O=C([O-])c1cc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)ccc1Cl	ZINC000059106190	195389026	/nfs/dbraw/zinc/38/90/26/195389026.db2.gz	VACLHMXAEFWXEP-YBEGLDIGSA-N	-2	0	454.797	4.944	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1	ZINC000059136254	195391542	/nfs/dbraw/zinc/39/15/42/195391542.db2.gz	WUJBNPHXBYFGRL-LFIBNONCSA-N	-2	0	450.447	4.764	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248965	195396195	/nfs/dbraw/zinc/39/61/95/195396195.db2.gz	IUWMCBRVQCQGOT-VXLYETTFSA-N	-2	0	498.322	4.766	40	10		JJCBRL
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)[O-])c(Cl)c3)c2C)C1=O	ZINC000059249622	195396202	/nfs/dbraw/zinc/39/62/02/195396202.db2.gz	GPPQAUPELCVIMW-UDWIEESQSA-N	-2	0	491.931	4.675	40	10		JJCBRL
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1	ZINC000008895085	554784703	/nfs/dbraw/zinc/78/47/03/554784703.db2.gz	TVJGMGZEJYTOMC-LDADJPATSA-N	-2	0	496.928	4.528	40	10		JJCBRL
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C	ZINC000104090788	569840777	/nfs/dbraw/zinc/84/07/77/569840777.db2.gz	VTBIFCVXKRUQCC-BBJJLJPOSA-N	-2	0	451.508	4.572	40	10		JJCBRL
O=S(=O)([O-])c1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1cccc3ccccc31)c2O	ZINC000104366381	569845371	/nfs/dbraw/zinc/84/53/71/569845371.db2.gz	NJWLGVOMWIUJAR-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10		JJCBRL
Cc1ccc(COc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)cc1	ZINC000408943313	570083091	/nfs/dbraw/zinc/08/30/91/570083091.db2.gz	RPPLQHVJISJDLW-UDWIEESQSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408963809	570086935	/nfs/dbraw/zinc/08/69/35/570086935.db2.gz	AFBJRUDVCNDVIA-MHWRWJLKSA-N	-2	0	484.892	4.577	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C1=O	ZINC000409069115	570117616	/nfs/dbraw/zinc/11/76/16/570117616.db2.gz	CBRFXXHSJTZRNY-MOSHPQCFSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000409132710	570140931	/nfs/dbraw/zinc/14/09/31/570140931.db2.gz	KNZJKJWQQYTZHD-BOPFTXTBSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409147292	570147638	/nfs/dbraw/zinc/14/76/38/570147638.db2.gz	VPESIGYTBHQMNU-FYJGNVAPSA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000409192031	570162225	/nfs/dbraw/zinc/16/22/25/570162225.db2.gz	STZMQVKQFNOMTF-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1ccc(Cn2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c3ccccc32)cc1	ZINC000409191799	570162233	/nfs/dbraw/zinc/16/22/33/570162233.db2.gz	NOLAZJXEZCZUCS-OEAKJJBVSA-N	-2	0	495.560	4.528	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409237901	570180657	/nfs/dbraw/zinc/18/06/57/570180657.db2.gz	XVFIDWWPPRFYJF-WOJGMQOQSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)c1	ZINC000409239479	570181278	/nfs/dbraw/zinc/18/12/78/570181278.db2.gz	NQDPQJGDKVJYSY-BOPFTXTBSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)[N-]C2=S)cc1Cl	ZINC000409241144	570182025	/nfs/dbraw/zinc/18/20/25/570182025.db2.gz	JABYGJGWKGJBSD-WOJGMQOQSA-N	-2	0	480.929	4.746	40	10		JJCBRL
O=C([O-])c1cccc(COc2ccccc2C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1	ZINC000016448933	526389424	/nfs/dbraw/zinc/38/94/24/526389424.db2.gz	PPAGKPLUEOBSAB-QGOAFFKASA-N	-2	0	476.485	4.775	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000020030456	555605545	/nfs/dbraw/zinc/60/55/45/555605545.db2.gz	CMBQMAIAEQZARQ-GIJQJNRQSA-N	-2	0	467.865	4.541	40	10		JJCBRL
Cc1cc([N-]S(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)nc(C)n1	ZINC000104123533	569841127	/nfs/dbraw/zinc/84/11/27/569841127.db2.gz	NKTXOTGVPZWTEQ-RQZHXJHFSA-N	-2	0	477.502	4.867	40	10		JJCBRL
C=CCc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(C(=O)[O-])c1	ZINC000108912719	569859790	/nfs/dbraw/zinc/85/97/90/569859790.db2.gz	VWDYCYXABRXJGU-JLPGSUDCSA-N	-2	0	498.535	4.552	40	10		JJCBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl	ZINC000207084799	569874743	/nfs/dbraw/zinc/87/47/43/569874743.db2.gz	UUJIHSLMJUTLMM-OQLLNIDSSA-N	-2	0	480.816	4.534	40	10		JJCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000408759036	570036349	/nfs/dbraw/zinc/03/63/49/570036349.db2.gz	WVDJUHDKJUESPO-LDADJPATSA-N	-2	0	480.929	4.692	40	10		JJCBRL
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000408771821	570039006	/nfs/dbraw/zinc/03/90/06/570039006.db2.gz	JHSNVRMKHPQNJQ-LDADJPATSA-N	-2	0	480.929	4.692	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408848737	570055098	/nfs/dbraw/zinc/05/50/98/570055098.db2.gz	SXGAGBMARRDUOM-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)o1	ZINC000408961262	570086021	/nfs/dbraw/zinc/08/60/21/570086021.db2.gz	LXGBQTVLOUHLJM-MHWRWJLKSA-N	-2	0	485.279	4.926	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000408961843	570086326	/nfs/dbraw/zinc/08/63/26/570086326.db2.gz	OLYYTUKDQGYJDQ-MHWRWJLKSA-N	-2	0	485.279	4.926	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409126588	570138177	/nfs/dbraw/zinc/13/81/77/570138177.db2.gz	LLQYSWVOMHFOJC-FYJGNVAPSA-N	-2	0	487.581	4.549	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409188660	570161199	/nfs/dbraw/zinc/16/11/99/570161199.db2.gz	JIJSQDZBBJZSRI-YBEGLDIGSA-N	-2	0	487.320	4.783	40	10		JJCBRL
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000409189990	570161660	/nfs/dbraw/zinc/16/16/60/570161660.db2.gz	PGWCTROIKQUHJA-MHWRWJLKSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409241843	570182212	/nfs/dbraw/zinc/18/22/12/570182212.db2.gz	OYQAXPUHHUOERO-OEAKJJBVSA-N	-2	0	487.581	4.747	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409245316	570183803	/nfs/dbraw/zinc/18/38/03/570183803.db2.gz	QSYWNANHKSEWRQ-YBFXNURJSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C2=O)cc1Cl	ZINC000409331321	570204326	/nfs/dbraw/zinc/20/43/26/570204326.db2.gz	AQHBAKYLUDDBQS-WQRHYEAKSA-N	-2	0	464.861	4.581	40	10		JJCBRL
O=C([O-])c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc1Cl	ZINC000059135406	195389910	/nfs/dbraw/zinc/38/99/10/195389910.db2.gz	FYUIZXHIXQDNPL-MHWRWJLKSA-N	-2	0	454.797	4.944	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000059135948	195391202	/nfs/dbraw/zinc/39/12/02/195391202.db2.gz	VNJMRDKKPWMJNM-LDADJPATSA-N	-2	0	463.490	4.603	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000059136203	195391466	/nfs/dbraw/zinc/39/14/66/195391466.db2.gz	KNKFKKFVIXTHDC-WOJGMQOQSA-N	-2	0	477.517	4.911	40	10		JJCBRL
O=C([O-])c1ccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000016429973	526359383	/nfs/dbraw/zinc/35/93/83/526359383.db2.gz	HVVDQNJZTJRSIP-LDADJPATSA-N	-2	0	451.891	4.501	40	10		JJCBRL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c([O-])c(Cl)c1	ZINC000038173184	569800017	/nfs/dbraw/zinc/80/00/17/569800017.db2.gz	OFMIVWNZGWAYEX-VZUCSPMQSA-N	-2	0	456.079	4.968	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1	ZINC000104366868	569845395	/nfs/dbraw/zinc/84/53/95/569845395.db2.gz	ODOJGWXYQYRBNB-DQRAZIAOSA-N	-2	0	458.473	4.607	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000408789324	570043658	/nfs/dbraw/zinc/04/36/58/570043658.db2.gz	JBAIYDFRYZCIFM-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408813763	570049797	/nfs/dbraw/zinc/04/97/97/570049797.db2.gz	DPJPRBYUFIPADK-RGVLZGJSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)c1	ZINC000408851187	570055488	/nfs/dbraw/zinc/05/54/88/570055488.db2.gz	JJHODXDNFNMUBP-UVTDQMKNSA-N	-2	0	487.320	4.783	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408952652	570084314	/nfs/dbraw/zinc/08/43/14/570084314.db2.gz	VMHYSMDGQCDJAX-DJKKODMXSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2)C1=O	ZINC000409067624	570117039	/nfs/dbraw/zinc/11/70/39/570117039.db2.gz	GNAHMFIUIMMYDL-MTJSOVHGSA-N	-2	0	490.899	4.592	40	10		JJCBRL
O=C1c2cccc(S(=O)(=O)[O-])c2C=CC1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000003954029	194367234	/nfs/dbraw/zinc/36/72/34/194367234.db2.gz	MKQVCJWNUFUUQK-QURGRASLSA-N	-2	0	458.473	4.607	40	10	in-vitro	JJCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)s1	ZINC000004972331	554484102	/nfs/dbraw/zinc/48/41/02/554484102.db2.gz	UMOBZXXKVLTDIS-GHVJWSGMSA-N	-2	0	469.504	4.620	40	10		JJCBRL
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Br)c1[O-]	ZINC000038174487	569799967	/nfs/dbraw/zinc/79/99/67/569799967.db2.gz	JOCMOGYUUXLFTN-WUXMJOGZSA-N	-2	0	456.079	4.968	40	10		JJCBRL
O=C([O-])C1=Cc2ccccc2C(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000104123500	569841158	/nfs/dbraw/zinc/84/11/58/569841158.db2.gz	SVWTXANWDCROMS-FCQUAONHSA-N	-2	0	454.489	4.916	40	10		JJCBRL
Cc1nnc([N-]S(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)s1	ZINC000104123465	569841164	/nfs/dbraw/zinc/84/11/64/569841164.db2.gz	UMOBZXXKVLTDIS-FCQUAONHSA-N	-2	0	469.504	4.620	40	10		JJCBRL
Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1C(=O)[O-]	ZINC000408843570	570054107	/nfs/dbraw/zinc/05/41/07/570054107.db2.gz	GBWJPDULVFTDFG-MHWRWJLKSA-N	-2	0	485.279	4.926	40	10		JJCBRL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4cccc(C(=O)[O-])c4)c4ccccc34)C2=O)c1	ZINC000408899603	570068024	/nfs/dbraw/zinc/06/80/24/570068024.db2.gz	PKZLBOMTMZHHJV-ZVHZXABRSA-N	-2	0	493.519	4.671	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409013415	570100262	/nfs/dbraw/zinc/10/02/62/570100262.db2.gz	NGWIOYQZWVRIIB-WSDLNYQXSA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccccc4)c(C(=O)[O-])c3)C2=O)cc1Cl	ZINC000409042707	570107927	/nfs/dbraw/zinc/10/79/27/570107927.db2.gz	OIAVIXFSBZGWSX-NDENLUEZSA-N	-2	0	490.899	4.592	40	10		JJCBRL
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000409045071	570108432	/nfs/dbraw/zinc/10/84/32/570108432.db2.gz	YBRNAWYCBZYDFR-VCHYOVAHSA-N	-2	0	483.307	4.944	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000409069276	570117753	/nfs/dbraw/zinc/11/77/53/570117753.db2.gz	IHDNTXUGCUXJLO-DEDYPNTBSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)o1	ZINC000409104799	570129762	/nfs/dbraw/zinc/12/97/62/570129762.db2.gz	IGYZHNDOWGEOOG-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409234953	570179297	/nfs/dbraw/zinc/17/92/97/570179297.db2.gz	BIPNRRWSCWKMNX-CIAFOILYSA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000001410522	194116591	/nfs/dbraw/zinc/11/65/91/194116591.db2.gz	WYHACCMWXUJXHT-PDGQHHTCSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000059135363	195389887	/nfs/dbraw/zinc/38/98/87/195389887.db2.gz	UVAWYXMFTZPOPY-UDWIEESQSA-N	-2	0	461.449	4.747	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21	ZINC000004887216	554482890	/nfs/dbraw/zinc/48/28/90/554482890.db2.gz	FGGCKWDBLWGZNA-QURGRASLSA-N	-2	0	458.473	4.607	40	10		JJCBRL
Cc1cc([N-]S(=O)(=O)c2ccc(NN=C3c4ccccc4C=C(C(=O)[O-])C3=O)cc2)nc(C)n1	ZINC000004972342	554484156	/nfs/dbraw/zinc/48/41/56/554484156.db2.gz	NKTXOTGVPZWTEQ-CYYJNZCTSA-N	-2	0	477.502	4.867	40	10		JJCBRL
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000013629672	555541222	/nfs/dbraw/zinc/54/12/22/555541222.db2.gz	XRQUUUVEHWJXSU-PTGBLXJZSA-N	-2	0	493.589	4.981	40	10		JJCBRL
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)[N-]C(=O)N(C3CCCC3)C2=O)cc1	ZINC000408694733	570017176	/nfs/dbraw/zinc/01/71/76/570017176.db2.gz	MACPYHKZJXCXMG-HZHRSRAPSA-N	-2	0	484.508	4.521	40	10		JJCBRL
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1C	ZINC000408757284	570035792	/nfs/dbraw/zinc/03/57/92/570035792.db2.gz	XXFVXTIXDGMWSB-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)cc1C	ZINC000408786528	570043297	/nfs/dbraw/zinc/04/32/97/570043297.db2.gz	SAWCZBYTOTYZFQ-WOJGMQOQSA-N	-2	0	464.861	4.581	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000408982648	570091211	/nfs/dbraw/zinc/09/12/11/570091211.db2.gz	DQFZPZRLTACQKQ-LDADJPATSA-N	-2	0	464.861	4.527	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1c(C)cc(C)cc1C	ZINC000409192536	570162396	/nfs/dbraw/zinc/16/23/96/570162396.db2.gz	YNGNEQYGLHAWOJ-LPYMAVHISA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409231214	570177755	/nfs/dbraw/zinc/17/77/55/570177755.db2.gz	IUNBFLFSSKSZKT-XDHOZWIPSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409239583	570181307	/nfs/dbraw/zinc/18/13/07/570181307.db2.gz	HLLSIKQNPZJMOY-FYJGNVAPSA-N	-2	0	487.581	4.549	40	10		JJCBRL
O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N([N-]C(=O)c4cccs4)C3=O)o2)ccc1Cl	ZINC000409330734	570204072	/nfs/dbraw/zinc/20/40/72/570204072.db2.gz	LSFYCEOWCCNQDO-CXUHLZMHSA-N	-2	0	490.971	4.906	40	10		JJCBRL
O=C([O-])C1=c2ccccc2=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000004972351	194402222	/nfs/dbraw/zinc/40/22/22/194402222.db2.gz	SOENMTNLSXPXBX-GHVJWSGMSA-N	-2	0	454.489	4.916	40	10		JJCBRL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)[O-])cc2)N3)cc1	ZINC000058849914	195384760	/nfs/dbraw/zinc/38/47/60/195384760.db2.gz	BXTFZWMSXRQQKP-YZUZCNPQSA-N	-2	0	490.537	4.710	40	10		JJCBRL
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033321649	521960094	/nfs/dbraw/zinc/96/00/94/521960094.db2.gz	BAEWVRCZPNAXDJ-MOSHPQCFSA-N	-2	0	488.521	4.644	40	10		JJCBRL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1	ZINC000002727127	554313031	/nfs/dbraw/zinc/31/30/31/554313031.db2.gz	CEHUTNOJSOMDAS-JAIQZWGSSA-N	-2	0	493.903	4.961	40	10		JJCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1	ZINC000019418844	556347814	/nfs/dbraw/zinc/34/78/14/556347814.db2.gz	SONSHLWWRZZSCP-YBEGLDIGSA-N	-2	0	476.794	4.778	40	10		JJCBRL
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C	ZINC000104090792	569840811	/nfs/dbraw/zinc/84/08/11/569840811.db2.gz	VTBIFCVXKRUQCC-NVWMPKGRSA-N	-2	0	451.508	4.572	40	10		JJCBRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3C=c4ccccc4=C(C(=O)[O-])C3=O)cc2)n1	ZINC000104123573	569841222	/nfs/dbraw/zinc/84/12/22/569841222.db2.gz	JZLPUVLJTQAKEQ-QPLCGJKRSA-N	-2	0	463.475	4.558	40	10		JJCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000408752111	570034490	/nfs/dbraw/zinc/03/44/90/570034490.db2.gz	FWXKGRLYFPTHCI-MHWRWJLKSA-N	-2	0	471.252	4.618	40	10		JJCBRL
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)[N-]C2=S)c1	ZINC000408779982	570041202	/nfs/dbraw/zinc/04/12/02/570041202.db2.gz	PEOWJSHWGJLDMS-WOJGMQOQSA-N	-2	0	480.929	4.746	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)[O-])c(Cl)c4)c3C)C2=O)cc1	ZINC000408845030	570054332	/nfs/dbraw/zinc/05/43/32/570054332.db2.gz	JRAHJMLWTGZUHM-CIAFOILYSA-N	-2	0	491.931	4.675	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408856202	570056508	/nfs/dbraw/zinc/05/65/08/570056508.db2.gz	JICULYPSYDKNNL-YBFXNURJSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1Cl	ZINC000408982665	570091192	/nfs/dbraw/zinc/09/11/92/570091192.db2.gz	DUBCYAVUSOAJPK-MHWRWJLKSA-N	-2	0	485.279	4.926	40	10		JJCBRL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCc4ccc(C(=O)[O-])cc4)c3)C2=O)cc1Cl	ZINC000409064643	570115924	/nfs/dbraw/zinc/11/59/24/570115924.db2.gz	DCEDYFUZHAOIDV-MTJSOVHGSA-N	-2	0	490.899	4.592	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409137027	570142761	/nfs/dbraw/zinc/14/27/61/570142761.db2.gz	WCHGTKFPFKZKAQ-FYJGNVAPSA-N	-2	0	487.581	4.549	40	10		JJCBRL
CC(C)(C)c1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(C(C)(C)C)c1O	ZINC000409190520	570161752	/nfs/dbraw/zinc/16/17/52/570161752.db2.gz	YTIFEKASOOIUNQ-GZTJUZNOSA-N	-2	0	480.586	4.517	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc2ccccc21	ZINC000409190790	570161886	/nfs/dbraw/zinc/16/18/86/570161886.db2.gz	WFRUUOKHNAWPKU-HZHRSRAPSA-N	-2	0	495.560	4.777	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248444	195395769	/nfs/dbraw/zinc/39/57/69/195395769.db2.gz	XFVWJHMTPQFTTC-DJKKODMXSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059248177	195395954	/nfs/dbraw/zinc/39/59/54/195395954.db2.gz	YCIVZMNGGSSAOS-SRZZPIQSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1	ZINC000033321619	523962976	/nfs/dbraw/zinc/96/29/76/523962976.db2.gz	KNWFHMPOBOUQKH-AUWJEWJLSA-N	-2	0	463.273	4.526	40	10		JJCBRL
O=C([O-])c1cc(NC(=O)c2cc(Sc3nccs3)c3ccccc3c2[O-])cc(C(=O)[O-])c1	ZINC000016525385	526350216	/nfs/dbraw/zinc/35/02/16/526350216.db2.gz	FFICCAFSVQVMRL-UHFFFAOYSA-N	-3	0	466.496	4.802	40	10		JJCBRL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)[O-])c4)N=C3C(F)(F)F)o2)c1	ZINC000016386318	526387530	/nfs/dbraw/zinc/38/75/30/526387530.db2.gz	PGAODKLFTVVBHZ-BOPFTXTBSA-N	-2	0	470.359	4.692	40	10		JJCBRL
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C	ZINC000104090794	569840750	/nfs/dbraw/zinc/84/07/50/569840750.db2.gz	VTBIFCVXKRUQCC-TWMRLEJJSA-N	-2	0	451.508	4.572	40	10		JJCBRL
Cc1coc([N-]S(=O)(=O)c2ccc(N=Nc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)c1C	ZINC000104090783	569840830	/nfs/dbraw/zinc/84/08/30/569840830.db2.gz	VTBIFCVXKRUQCC-LRVSTDGRSA-N	-2	0	451.508	4.572	40	10		JJCBRL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1C	ZINC000408759131	570036450	/nfs/dbraw/zinc/03/64/50/570036450.db2.gz	YFGQGFOQNGKHBB-WOJGMQOQSA-N	-2	0	480.929	4.746	40	10		JJCBRL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)[N-]C1=S	ZINC000408780339	570041394	/nfs/dbraw/zinc/04/13/94/570041394.db2.gz	XNQFSNBLSZPWQQ-SFQUDFHCSA-N	-2	0	480.929	4.692	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408786980	570043357	/nfs/dbraw/zinc/04/33/57/570043357.db2.gz	ZBORLFZSKJPJMG-SRZZPIQSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000408846948	570054751	/nfs/dbraw/zinc/05/47/51/570054751.db2.gz	KTBLTOMAROKMDT-SRZZPIQSSA-N	-2	0	491.931	4.729	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409208254	570168030	/nfs/dbraw/zinc/16/80/30/570168030.db2.gz	BKYBDGXXRIYGGD-LICLKQGHSA-N	-2	0	498.322	4.766	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409233706	570178795	/nfs/dbraw/zinc/17/87/95/570178795.db2.gz	WEOJWNLEEDISGQ-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)c1	ZINC000059135403	195390114	/nfs/dbraw/zinc/39/01/14/195390114.db2.gz	REMOSBJXMBYDSR-MHWRWJLKSA-N	-2	0	454.797	4.944	40	10		JJCBRL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000016427975	527614744	/nfs/dbraw/zinc/61/47/44/527614744.db2.gz	YSKACHFVVUBOHW-XGICHPGQSA-N	-2	0	485.732	4.782	40	10		JJCBRL
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000002685401	554282650	/nfs/dbraw/zinc/28/26/50/554282650.db2.gz	UDDXPAKOXVJYIR-UHFFFAOYSA-N	-2	0	454.577	4.913	40	10		JJCBRL
O=C1C=Cc2ccccc2C1=NNc1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2c1	ZINC000004804158	554482212	/nfs/dbraw/zinc/48/22/12/554482212.db2.gz	ODOJGWXYQYRBNB-QURGRASLSA-N	-2	0	458.473	4.607	40	10		JJCBRL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c1	ZINC000214378272	569876586	/nfs/dbraw/zinc/87/65/86/569876586.db2.gz	PZAUVGGWWACUJG-VXLYETTFSA-N	-2	0	467.430	4.719	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408912688	570073643	/nfs/dbraw/zinc/07/36/43/570073643.db2.gz	ROSOWFINBYKYLJ-LPYMAVHISA-N	-2	0	487.581	4.549	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408945877	570083490	/nfs/dbraw/zinc/08/34/90/570083490.db2.gz	OFHHTNNTFFMCOD-RGVLZGJSSA-N	-2	0	493.972	4.585	40	10		JJCBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409139862	570144101	/nfs/dbraw/zinc/14/41/01/570144101.db2.gz	BUDMSVUYCSXGSK-CIAFOILYSA-N	-2	0	487.581	4.549	40	10		JJCBRL
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409193320	570162639	/nfs/dbraw/zinc/16/26/39/570162639.db2.gz	IVVBNSXWUHMCCT-HBBMIWKISA-N	-2	0	474.538	4.547	40	10		JJCBRL
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)o1	ZINC000409221367	570174583	/nfs/dbraw/zinc/17/45/83/570174583.db2.gz	PIYAWXYUGUQFPX-GZTJUZNOSA-N	-2	0	464.861	4.581	40	10		JJCBRL
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)c1	ZINC000409221522	570174624	/nfs/dbraw/zinc/17/46/24/570174624.db2.gz	RMEMZIZAIASGAX-GZTJUZNOSA-N	-2	0	480.929	4.746	40	10		JJCBRL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000409231398	570177951	/nfs/dbraw/zinc/17/79/51/570177951.db2.gz	CWTUROLBWXAXPO-XNTDXEJSSA-N	-2	0	485.279	4.926	40	10		JJCBRL