smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3Cl)CC2)cc1	ZINC000020452287	524419737	/nfs/dbraw/zinc/41/97/37/524419737.db2.gz	CIFIOBJUQQXSQL-UHFFFAOYSA-N	-1	1	485.993	4.112	40	10		JICBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(N4CCCC4)cc3)C(=O)[O-])n2)c1	ZINC000408635272	569985639	/nfs/dbraw/zinc/98/56/39/569985639.db2.gz	ZSMHOIPBYDMCQW-RGVLZGJSSA-N	-1	1	452.536	4.307	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)cc1C	ZINC000408960422	570085658	/nfs/dbraw/zinc/08/56/58/570085658.db2.gz	FRFLKMXNDITRPT-UDWIEESQSA-N	-1	1	460.511	4.401	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1	ZINC000409077970	570120743	/nfs/dbraw/zinc/12/07/43/570120743.db2.gz	GWLKDRJQVHFLIF-UHFFFAOYSA-N	-1	1	490.177	4.462	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1	ZINC000409077970	570120744	/nfs/dbraw/zinc/12/07/44/570120744.db2.gz	GWLKDRJQVHFLIF-UHFFFAOYSA-N	-1	1	490.177	4.462	40	10		JICBMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000409188505	570161061	/nfs/dbraw/zinc/16/10/61/570161061.db2.gz	CKBHOOFZRXTMGI-NDENLUEZSA-N	-1	1	479.945	4.277	40	10		JICBMM
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409188970	570161249	/nfs/dbraw/zinc/16/12/49/570161249.db2.gz	LSNUWNJVCIUCKS-HYARGMPZSA-N	-1	1	487.581	4.494	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)cc1	ZINC000408545364	570192821	/nfs/dbraw/zinc/19/28/21/570192821.db2.gz	YGGYVFLNQGZHKH-UDWIEESQSA-N	-1	1	485.521	4.121	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)CC2)cc1	ZINC000014154979	555712794	/nfs/dbraw/zinc/71/27/94/555712794.db2.gz	DZHJNMWOELYPHS-UHFFFAOYSA-N	-1	1	479.602	4.075	40	10		JICBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1	ZINC000033721351	569632005	/nfs/dbraw/zinc/63/20/05/569632005.db2.gz	RGZIKQVCVGFELC-MOSHPQCFSA-N	-1	1	497.336	4.469	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)c1	ZINC000408755549	570035464	/nfs/dbraw/zinc/03/54/64/570035464.db2.gz	QRCYHWAXXFKKQY-GZTJUZNOSA-N	-1	1	466.902	4.438	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1	ZINC000408896829	570067360	/nfs/dbraw/zinc/06/73/60/570067360.db2.gz	TZNNXCLJTZKSIH-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1	ZINC000408896829	570067362	/nfs/dbraw/zinc/06/73/62/570067362.db2.gz	TZNNXCLJTZKSIH-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1Cl	ZINC000408919655	570076679	/nfs/dbraw/zinc/07/66/79/570076679.db2.gz	ZTBNWGACCDHXCH-YBEGLDIGSA-N	-1	1	470.865	4.269	40	10		JICBMM
Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c3cc(Br)ccc32)cc1	ZINC000409145805	570146901	/nfs/dbraw/zinc/14/69/01/570146901.db2.gz	QBQOSOBVLJPKAN-ODLFYWEKSA-N	-1	1	498.402	4.048	40	10		JICBMM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	ZINC000409250052	570185573	/nfs/dbraw/zinc/18/55/73/570185573.db2.gz	MEIFVYZQSIRMAF-GZTJUZNOSA-N	-1	1	486.427	4.495	40	10		JICBMM
Cc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409327394	570202474	/nfs/dbraw/zinc/20/24/74/570202474.db2.gz	JKCFDCNFEFSNAP-WOJGMQOQSA-N	-1	1	483.596	4.400	40	10		JICBMM
CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000104124181	569841601	/nfs/dbraw/zinc/84/16/01/569841601.db2.gz	OTMZOLCCZBOOSN-QTJUSOIVSA-N	-1	1	471.926	4.216	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000108982778	569860133	/nfs/dbraw/zinc/86/01/33/569860133.db2.gz	JSASRBFIRSDLHI-HAHDFKILSA-N	-1	1	452.470	4.368	40	10		JICBMM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Cl)c1	ZINC000408693879	570016557	/nfs/dbraw/zinc/01/65/57/570016557.db2.gz	AIUPPMQAVMXRDB-WOJGMQOQSA-N	-1	1	468.893	4.022	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000408734761	570030021	/nfs/dbraw/zinc/03/00/21/570030021.db2.gz	DERRHWBSRMECKN-UHFFFAOYSA-N	-1	1	495.329	4.329	40	10		JICBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000408734761	570030022	/nfs/dbraw/zinc/03/00/22/570030022.db2.gz	DERRHWBSRMECKN-UHFFFAOYSA-N	-1	1	495.329	4.329	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)C(=O)NC2=S)cc1	ZINC000408740756	570032080	/nfs/dbraw/zinc/03/20/80/570032080.db2.gz	HXBIRXQCFUCAPS-WUXMJOGZSA-N	-1	1	496.180	4.057	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)c(C)c1	ZINC000408961979	570086312	/nfs/dbraw/zinc/08/63/12/570086312.db2.gz	WKIAFAIGBZTSRM-KGENOOAVSA-N	-1	1	486.549	4.412	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409144983	570146359	/nfs/dbraw/zinc/14/63/59/570146359.db2.gz	QSTSYKQKIPWNON-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])n1	ZINC000409194578	570163156	/nfs/dbraw/zinc/16/31/56/570163156.db2.gz	PGJMEOIHHAJSTO-SXGWCWSVSA-N	-1	1	480.331	4.343	40	10		JICBMM
Cc1nc(SC(=Cc2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)[O-])n[nH]1	ZINC000409194578	570163158	/nfs/dbraw/zinc/16/31/58/570163158.db2.gz	PGJMEOIHHAJSTO-SXGWCWSVSA-N	-1	1	480.331	4.343	40	10		JICBMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	ZINC000409231050	570177801	/nfs/dbraw/zinc/17/78/01/570177801.db2.gz	AZRXLTCHQVCNQO-GZTJUZNOSA-N	-1	1	486.427	4.495	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000409239226	570181164	/nfs/dbraw/zinc/18/11/64/570181164.db2.gz	CNRVFFIVPABIGC-UDWIEESQSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccccc1	ZINC000035080187	569674489	/nfs/dbraw/zinc/67/44/89/569674489.db2.gz	RRSWMBNQVIAINO-KQWNVCNZSA-N	-1	1	450.498	4.050	40	10		JICBMM
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3[O-])[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102724726	569817542	/nfs/dbraw/zinc/81/75/42/569817542.db2.gz	HXJXFNLBXYUKAK-ACRUOGEOSA-N	-1	1	465.849	4.005	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408966643	570087620	/nfs/dbraw/zinc/08/76/20/570087620.db2.gz	NGPSVGWYBWHAPZ-VCHYOVAHSA-N	-1	1	497.935	4.416	40	10		JICBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408999648	570096027	/nfs/dbraw/zinc/09/60/27/570096027.db2.gz	XCPFLHMCJUNUSK-UHFFFAOYSA-N	-1	1	478.555	4.068	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000409189497	570161502	/nfs/dbraw/zinc/16/15/02/570161502.db2.gz	PTEMCNWSVPVNBJ-RGVLZGJSSA-N	-1	1	479.945	4.277	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1	ZINC000409193753	570162827	/nfs/dbraw/zinc/16/28/27/570162827.db2.gz	MBTZHQFSISXMBY-HYARGMPZSA-N	-1	1	481.533	4.219	40	10		JICBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)c1	ZINC000013675934	555566900	/nfs/dbraw/zinc/56/69/00/555566900.db2.gz	IFQITNHRIFSBLV-UHFFFAOYSA-N	-1	1	493.629	4.179	40	10		JICBMM
Cc1cccc(COc2c(Cl)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)cc2Br)c1	ZINC000408911988	570073259	/nfs/dbraw/zinc/07/32/59/570073259.db2.gz	PGLLAZVPMSUCGZ-VGOFMYFVSA-N	-1	1	479.783	4.246	40	10		JICBMM
CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)C(=O)N(c2ccc(Cl)cc2)C1=S	ZINC000409009997	570099177	/nfs/dbraw/zinc/09/91/77/570099177.db2.gz	AXFCPENCWFAYAH-NTEUORMPSA-N	-1	1	465.756	4.372	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409134159	570141491	/nfs/dbraw/zinc/14/14/91/570141491.db2.gz	NWGODARRJCFBJC-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)C(=O)[N-]C1=S	ZINC000409149954	570148791	/nfs/dbraw/zinc/14/87/91/570148791.db2.gz	WMIPKWCDBXNMOW-XDHOZWIPSA-N	-1	1	498.402	4.129	40	10		JICBMM
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409192394	570162394	/nfs/dbraw/zinc/16/23/94/570162394.db2.gz	CEUPVXWQPARFKG-HYARGMPZSA-N	-1	1	473.554	4.186	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1	ZINC000409192323	570162407	/nfs/dbraw/zinc/16/24/07/570162407.db2.gz	WJWYCUSKTOCWNN-MHWRWJLKSA-N	-1	1	497.872	4.038	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1	ZINC000409195867	570163457	/nfs/dbraw/zinc/16/34/57/570163457.db2.gz	WQDIDZKPVRXMKV-LPYMAVHISA-N	-1	1	499.523	4.358	40	10		JICBMM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1	ZINC000409220811	570174302	/nfs/dbraw/zinc/17/43/02/570174302.db2.gz	GDRGCAUMFGZWAO-BOPFTXTBSA-N	-1	1	486.427	4.495	40	10		JICBMM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)c1	ZINC000409237773	570180670	/nfs/dbraw/zinc/18/06/70/570180670.db2.gz	LRBVWNSLYFVCEP-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)c1ccc([O-])c(O)c1	ZINC000059417642	195399974	/nfs/dbraw/zinc/39/99/74/195399974.db2.gz	ZBBDFXKWTSJKON-UHFFFAOYSA-N	-1	1	462.508	4.483	40	10		JICBMM
O=C([O-])c1cccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000009262823	526387569	/nfs/dbraw/zinc/38/75/69/526387569.db2.gz	KLAMRSKPYZXWSM-PTNGSMBKSA-N	-1	1	486.336	4.314	40	10		JICBMM
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000033536760	569627557	/nfs/dbraw/zinc/62/75/57/569627557.db2.gz	QLGRSEKJPCIYAB-ODLFYWEKSA-N	-1	1	478.888	4.087	40	10		JICBMM
Cc1ccccc1NC(=O)Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000033782534	569634790	/nfs/dbraw/zinc/63/47/90/569634790.db2.gz	QBYRJMSQPDTENU-JCMHNJIXSA-N	-1	1	450.498	4.050	40	10		JICBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(I)c(C)c1	ZINC000113831185	569862070	/nfs/dbraw/zinc/86/20/70/569862070.db2.gz	XXCWLAXCPKHUHL-OVCLIPMQSA-N	-1	1	454.358	4.496	40	10		JICBMM
O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	ZINC000108988653	569860206	/nfs/dbraw/zinc/86/02/06/569860206.db2.gz	COFGHZFYNVTFEX-MOSHPQCFSA-N	-1	1	493.313	4.188	40	10		JICBMM
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109042009	569860444	/nfs/dbraw/zinc/86/04/44/569860444.db2.gz	DYULJNXSMQUIQA-UDWIEESQSA-N	-1	1	478.888	4.087	40	10		JICBMM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3O)C2=O)ccc1Br	ZINC000408753046	570034761	/nfs/dbraw/zinc/03/47/61/570034761.db2.gz	HHLXZUHRFSBYRZ-WUXMJOGZSA-N	-1	1	470.106	4.436	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)NC2=S)c1C	ZINC000408790936	570043936	/nfs/dbraw/zinc/04/39/36/570043936.db2.gz	UMJRSTBVUCIXPA-HYARGMPZSA-N	-1	1	486.549	4.412	40	10		JICBMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408931307	570080047	/nfs/dbraw/zinc/08/00/47/570080047.db2.gz	JUKMQIOLSLCWND-MHWRWJLKSA-N	-1	1	486.336	4.314	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1	ZINC000409077509	570120437	/nfs/dbraw/zinc/12/04/37/570120437.db2.gz	FCGWMBVWZHNMQY-UHFFFAOYSA-N	-1	1	490.177	4.462	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1	ZINC000409077509	570120438	/nfs/dbraw/zinc/12/04/38/570120438.db2.gz	FCGWMBVWZHNMQY-UHFFFAOYSA-N	-1	1	490.177	4.462	40	10		JICBMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C(=O)NC1=S	ZINC000409172262	570155265	/nfs/dbraw/zinc/15/52/65/570155265.db2.gz	FMOBEOPZGUFPEX-RVDMUPIBSA-N	-1	1	482.901	4.138	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1	ZINC000409190160	570161585	/nfs/dbraw/zinc/16/15/85/570161585.db2.gz	LRGPBWWRDNLJTH-GZTJUZNOSA-N	-1	1	497.326	4.239	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000409242959	570182739	/nfs/dbraw/zinc/18/27/39/570182739.db2.gz	PYIVFVXHYPIFPU-DEDYPNTBSA-N	-1	1	473.554	4.240	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000408529510	570187270	/nfs/dbraw/zinc/18/72/70/570187270.db2.gz	IIEAFVXEZNFNHY-ZSOIEALJSA-N	-1	1	476.384	4.259	40	10		JICBMM
CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)c(OC)c3)c2=O)cc1	ZINC000408533389	570189070	/nfs/dbraw/zinc/18/90/70/570189070.db2.gz	RZSNIKKIVPSMOW-RGEXLXHISA-N	-1	1	476.986	4.098	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)c(C)c1	ZINC000408541380	570191641	/nfs/dbraw/zinc/19/16/41/570191641.db2.gz	CMHAFVZQXXQNQW-UDWIEESQSA-N	-1	1	499.548	4.429	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)cc1	ZINC000020457526	526373861	/nfs/dbraw/zinc/37/38/61/526373861.db2.gz	YSAGLANGOJTLML-VIZOYTHASA-N	-1	1	470.304	4.300	40	10		JICBMM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1	ZINC000020287744	555756358	/nfs/dbraw/zinc/75/63/58/555756358.db2.gz	BXYVZJZLFVCYLJ-UNOMPAQXSA-N	-1	1	478.383	4.145	40	10		JICBMM
COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1	ZINC000020287741	555756396	/nfs/dbraw/zinc/75/63/96/555756396.db2.gz	VEVOWUDWBCXQHL-UNOMPAQXSA-N	-1	1	451.376	4.376	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccccc1F	ZINC000035080199	569674465	/nfs/dbraw/zinc/67/44/65/569674465.db2.gz	MWAQIZXCUGASOW-QNGOZBTKSA-N	-1	1	468.488	4.189	40	10		JICBMM
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000035214288	569678312	/nfs/dbraw/zinc/67/83/12/569678312.db2.gz	CNILHLYVQXAVRZ-NDENLUEZSA-N	-1	1	478.888	4.087	40	10		JICBMM
O=C(COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccccc1	ZINC000107929446	569858011	/nfs/dbraw/zinc/85/80/11/569858011.db2.gz	IPBHBFPLQKEJQO-ULJHMMPZSA-N	-1	1	463.493	4.319	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	ZINC000408887055	570064731	/nfs/dbraw/zinc/06/47/31/570064731.db2.gz	NOSGOHUCYBMRKL-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
CN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C(=O)[N-]C1=S	ZINC000408917280	570075746	/nfs/dbraw/zinc/07/57/46/570075746.db2.gz	QHRPLNMATSFMCT-WOJGMQOQSA-N	-1	1	481.371	4.438	40	10		JICBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccc(I)cc2)cc1	ZINC000408999059	570095922	/nfs/dbraw/zinc/09/59/22/570095922.db2.gz	RGCCEUYRARSEIW-OQLLNIDSSA-N	-1	1	453.326	4.359	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409145679	570146716	/nfs/dbraw/zinc/14/67/16/570146716.db2.gz	QQARDIKFWJVYCS-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1	ZINC000409193676	570162840	/nfs/dbraw/zinc/16/28/40/570162840.db2.gz	KPDSOEIXDRKZJN-GDNBJRDFSA-N	-1	1	497.872	4.038	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409200253	570164978	/nfs/dbraw/zinc/16/49/78/570164978.db2.gz	HSFZNANIXBIHKS-DEDYPNTBSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409236792	570180128	/nfs/dbraw/zinc/18/01/28/570180128.db2.gz	HFLORPGJVNCSGF-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000409240358	570181634	/nfs/dbraw/zinc/18/16/34/570181634.db2.gz	GUJGKQNZJIVEPQ-LDADJPATSA-N	-1	1	485.443	4.026	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc2c(c1)OCO2	ZINC000108982792	569860120	/nfs/dbraw/zinc/86/01/20/569860120.db2.gz	DUOCDEQYFIISJL-HMAPJEAMSA-N	-1	1	451.482	4.188	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)NC1=S	ZINC000408780943	570041557	/nfs/dbraw/zinc/04/15/57/570041557.db2.gz	NZCMCCRRZUMSJU-PXLXIMEGSA-N	-1	1	486.549	4.358	40	10		JICBMM
CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)[N-]C1=S	ZINC000408911659	570073177	/nfs/dbraw/zinc/07/31/77/570073177.db2.gz	BHIHTVAYTRGIGX-AWNIVKPZSA-N	-1	1	483.746	4.077	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1C	ZINC000408960333	570085662	/nfs/dbraw/zinc/08/56/62/570085662.db2.gz	KYIGAALBVNWKGC-HYARGMPZSA-N	-1	1	486.549	4.412	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409019290	570102435	/nfs/dbraw/zinc/10/24/35/570102435.db2.gz	IOFYWOJEIWNDDK-LPYMAVHISA-N	-1	1	473.554	4.240	40	10		JICBMM
CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000409141982	570145095	/nfs/dbraw/zinc/14/50/95/570145095.db2.gz	KPFZVTDVDYFFEN-LGMDPLHJSA-N	-1	1	453.951	4.020	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000409192803	570162503	/nfs/dbraw/zinc/16/25/03/570162503.db2.gz	BLJKXISSRCSQPK-VCHYOVAHSA-N	-1	1	497.935	4.416	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409208147	570168071	/nfs/dbraw/zinc/16/80/71/570168071.db2.gz	BIIJRGHCZQTILW-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccc(Br)c1	ZINC000020287542	555756244	/nfs/dbraw/zinc/75/62/44/555756244.db2.gz	AEAYCAJDVNLMMG-MOSHPQCFSA-N	-1	1	458.312	4.110	40	10		JICBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000035332298	569681077	/nfs/dbraw/zinc/68/10/77/569681077.db2.gz	XMDUBIXWUQFFQJ-HAHDFKILSA-N	-1	1	484.508	4.162	40	10		JICBMM
COc1ccc(C(=O)Oc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1	ZINC000408882418	570063272	/nfs/dbraw/zinc/06/32/72/570063272.db2.gz	OZYADZZIEOJWCK-DHDCSXOGSA-N	-1	1	480.361	4.174	40	10		JICBMM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409189183	570161405	/nfs/dbraw/zinc/16/14/05/570161405.db2.gz	DZWCDOAMEGUXTP-SEJMYLSOSA-N	-1	1	458.923	4.047	40	10		JICBMM
O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1	ZINC000033709631	526389601	/nfs/dbraw/zinc/38/96/01/526389601.db2.gz	DQROPKHFVBLPSS-UNOMPAQXSA-N	-1	1	493.313	4.188	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(C)cc4)c(C)c3)CC2)cc1	ZINC000013679967	555571955	/nfs/dbraw/zinc/57/19/55/555571955.db2.gz	VMKNFKUHORANKJ-UHFFFAOYSA-N	-1	1	479.602	4.075	40	10		JICBMM
CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1	ZINC000104124422	569841612	/nfs/dbraw/zinc/84/16/12/569841612.db2.gz	TUWINWJMQMSFBQ-PLFNIDSXSA-N	-1	1	465.535	4.179	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1c(Cc2ccccc2Br)ccc2ccccc21	ZINC000408870378	570059327	/nfs/dbraw/zinc/05/93/27/570059327.db2.gz	UXMPLKHEGPASPL-UHFFFAOYSA-N	-1	1	451.345	4.107	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408908068	570071418	/nfs/dbraw/zinc/07/14/18/570071418.db2.gz	AQNIPPAEHBTANO-RIYZIHGNSA-N	-1	1	465.358	4.228	40	10		JICBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1OC	ZINC000409132976	570140980	/nfs/dbraw/zinc/14/09/80/570140980.db2.gz	YVTTZUARETXJRR-OQLLNIDSSA-N	-1	1	479.316	4.158	40	10		JICBMM
COC(=O)Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(Br)c1	ZINC000020287547	555756251	/nfs/dbraw/zinc/75/62/51/555756251.db2.gz	HOEDIYSSGSEBSP-UNOMPAQXSA-N	-1	1	473.283	4.009	40	10		JICBMM
O=C([O-])c1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1	ZINC000033524332	569627251	/nfs/dbraw/zinc/62/72/51/569627251.db2.gz	KNPPUPNRWQGLBX-UNOMPAQXSA-N	-1	1	493.313	4.188	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000408960022	570085472	/nfs/dbraw/zinc/08/54/72/570085472.db2.gz	IBSFFLLEAIMQLG-RCCKNPSSSA-N	-1	1	486.549	4.358	40	10		JICBMM
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)o1	ZINC000409195733	570163496	/nfs/dbraw/zinc/16/34/96/570163496.db2.gz	VQWJBLCZRGISSB-WOJGMQOQSA-N	-1	1	466.902	4.438	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409217175	570173110	/nfs/dbraw/zinc/17/31/10/570173110.db2.gz	SWXAMGXWLDUGQV-XDHOZWIPSA-N	-1	1	479.945	4.277	40	10		JICBMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000408530570	570187646	/nfs/dbraw/zinc/18/76/46/570187646.db2.gz	MMLYAESALIHZQK-ZSOIEALJSA-N	-1	1	490.809	4.359	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)c1C	ZINC000408543695	570192282	/nfs/dbraw/zinc/19/22/82/570192282.db2.gz	SDTWMVBVZWUQGK-UDWIEESQSA-N	-1	1	499.548	4.429	40	10		JICBMM
O=C([O-])COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl	ZINC000059136056	195391181	/nfs/dbraw/zinc/39/11/81/195391181.db2.gz	YZDVCTJFIDNXFJ-BJMVGYQFSA-N	-1	1	469.277	4.268	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000033838061	569636183	/nfs/dbraw/zinc/63/61/83/569636183.db2.gz	XHVZITTZIUSXCF-ONNFQVAWSA-N	-1	1	485.758	4.488	40	10		JICBMM
CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1	ZINC000104124416	569841619	/nfs/dbraw/zinc/84/16/19/569841619.db2.gz	TUWINWJMQMSFBQ-BDCRVHBXSA-N	-1	1	465.535	4.179	40	10		JICBMM
Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)cc1	ZINC000107658487	569856914	/nfs/dbraw/zinc/85/69/14/569856914.db2.gz	UHHASRRPEDFIER-HAHDFKILSA-N	-1	1	450.498	4.050	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)NC2=S)cc1C	ZINC000408775430	570040093	/nfs/dbraw/zinc/04/00/93/570040093.db2.gz	PYLDEHCNSCDQTD-OEAKJJBVSA-N	-1	1	486.549	4.412	40	10		JICBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21	ZINC000408801841	570045992	/nfs/dbraw/zinc/04/59/92/570045992.db2.gz	CFVBAASPDIYEHM-UHFFFAOYSA-N	-1	1	450.878	4.139	40	10		JICBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21	ZINC000408801841	570045993	/nfs/dbraw/zinc/04/59/93/570045993.db2.gz	CFVBAASPDIYEHM-UHFFFAOYSA-N	-1	1	450.878	4.139	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1	ZINC000408809317	570048638	/nfs/dbraw/zinc/04/86/38/570048638.db2.gz	NUUOHMWGSUOGCS-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1	ZINC000408809317	570048640	/nfs/dbraw/zinc/04/86/40/570048640.db2.gz	NUUOHMWGSUOGCS-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(=O)[N-]C1=S	ZINC000408913727	570074175	/nfs/dbraw/zinc/07/41/75/570074175.db2.gz	NITHGZPMJUTXQO-WOJGMQOQSA-N	-1	1	481.371	4.438	40	10		JICBMM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)o1	ZINC000408959690	570085345	/nfs/dbraw/zinc/08/53/45/570085345.db2.gz	DHGSQKDZLMQZTP-WOJGMQOQSA-N	-1	1	466.902	4.438	40	10		JICBMM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408961961	570086304	/nfs/dbraw/zinc/08/63/04/570086304.db2.gz	WBUWHBQYZITGDD-DEDYPNTBSA-N	-1	1	492.940	4.449	40	10		JICBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	ZINC000408987468	570092845	/nfs/dbraw/zinc/09/28/45/570092845.db2.gz	BDXWYPSLEZIQJB-UHFFFAOYSA-N	-1	1	465.962	4.241	40	10		JICBMM
Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408993436	570094821	/nfs/dbraw/zinc/09/48/21/570094821.db2.gz	CVJLYALRILXTRH-UHFFFAOYSA-N	-1	1	465.962	4.241	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	ZINC000409054988	570111392	/nfs/dbraw/zinc/11/13/92/570111392.db2.gz	HNKBWOXPICNCMJ-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1C	ZINC000409191540	570162097	/nfs/dbraw/zinc/16/20/97/570162097.db2.gz	YQCCJEBPWFQFHI-KGENOOAVSA-N	-1	1	473.554	4.186	40	10		JICBMM
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000409229818	570177239	/nfs/dbraw/zinc/17/72/39/570177239.db2.gz	VKGXSWJINOSRGY-WJDWOHSUSA-N	-1	1	466.902	4.438	40	10		JICBMM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000409233288	570178666	/nfs/dbraw/zinc/17/86/66/570178666.db2.gz	FGUBRZGBBQUPSQ-LDADJPATSA-N	-1	1	485.443	4.026	40	10		JICBMM
COc1cc(COc2ccc(Cl)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1	ZINC000408537814	570190924	/nfs/dbraw/zinc/19/09/24/570190924.db2.gz	HJGYCMHMYQYSJP-UHFFFAOYSA-N	-1	1	492.915	4.256	40	10		JICBMM
COc1cc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1	ZINC000408537814	570190926	/nfs/dbraw/zinc/19/09/26/570190926.db2.gz	HJGYCMHMYQYSJP-UHFFFAOYSA-N	-1	1	492.915	4.256	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c([N-]S(=O)(=O)c4ccc(C)cc4)c3)CC2)cc1	ZINC000013678971	555570478	/nfs/dbraw/zinc/57/04/78/555570478.db2.gz	WQRWVOFRFBPNHC-UHFFFAOYSA-N	-1	1	479.602	4.075	40	10		JICBMM
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)cc1	ZINC000095925753	569730363	/nfs/dbraw/zinc/73/03/63/569730363.db2.gz	KPERDOZNBICUAQ-DEDYPNTBSA-N	-1	1	460.511	4.347	40	10		JICBMM
O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1	ZINC000102724733	569817823	/nfs/dbraw/zinc/81/78/23/569817823.db2.gz	HXJXFNLBXYUKAK-HKBOAZHASA-N	-1	1	465.849	4.005	40	10		JICBMM
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408692120	570015287	/nfs/dbraw/zinc/01/52/87/570015287.db2.gz	DVGQNTZDUVOJDL-VCHYOVAHSA-N	-1	1	498.919	4.030	40	10		JICBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)c1	ZINC000408962792	570086514	/nfs/dbraw/zinc/08/65/14/570086514.db2.gz	VCBCEALKGXFGHU-UDWIEESQSA-N	-1	1	460.511	4.401	40	10		JICBMM
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409190668	570161862	/nfs/dbraw/zinc/16/18/62/570161862.db2.gz	UYPOSTMJGAIXPE-DEDYPNTBSA-N	-1	1	460.511	4.157	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000409191174	570162024	/nfs/dbraw/zinc/16/20/24/570162024.db2.gz	UFWAKZPJEAGWDV-LPYMAVHISA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409201498	570165500	/nfs/dbraw/zinc/16/55/00/570165500.db2.gz	NURBVGOUZXJZMT-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C(=O)[N-]C1=S	ZINC000059182306	195393691	/nfs/dbraw/zinc/39/36/91/195393691.db2.gz	VHHBFIQCKXHHMG-LFIBNONCSA-N	-1	1	471.604	4.308	40	10		JICBMM
Cc1cc(C=C2NC(=S)[N-]C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033248378	526088595	/nfs/dbraw/zinc/08/85/95/526088595.db2.gz	HVYYHJMRLJPJBG-VCHYOVAHSA-N	-1	1	479.474	4.459	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000059536473	569606667	/nfs/dbraw/zinc/60/66/67/569606667.db2.gz	LSSTXCXOQQSOTO-UHFFFAOYSA-N	-1	1	469.708	4.374	40	10		JICBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000059536473	569606668	/nfs/dbraw/zinc/60/66/68/569606668.db2.gz	LSSTXCXOQQSOTO-UHFFFAOYSA-N	-1	1	469.708	4.374	40	10		JICBMM
O=C([O-])c1cccc(COc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	ZINC000033766392	569634092	/nfs/dbraw/zinc/63/40/92/569634092.db2.gz	RJAAIYCCAUOWIC-MOSHPQCFSA-N	-1	1	493.313	4.188	40	10		JICBMM
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000035214290	569678377	/nfs/dbraw/zinc/67/83/77/569678377.db2.gz	CNILHLYVQXAVRZ-UDWIEESQSA-N	-1	1	478.888	4.087	40	10		JICBMM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100535708	569764046	/nfs/dbraw/zinc/76/40/46/569764046.db2.gz	GAINBVXCMRKCDX-BKUYFWCQSA-N	-1	1	496.980	4.266	40	10		JICBMM
O=C([O-])CN1C(=O)C(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21	ZINC000101008358	569779031	/nfs/dbraw/zinc/77/90/31/569779031.db2.gz	JGPVZFLDSQQBBG-MEFZMRIGSA-N	-1	1	462.314	4.134	40	10		JICBMM
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000408693919	570016562	/nfs/dbraw/zinc/01/65/62/570016562.db2.gz	BRLLSJPUARFKQU-VCHYOVAHSA-N	-1	1	498.919	4.030	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)NC2=S)c(C)c1	ZINC000408786849	570043314	/nfs/dbraw/zinc/04/33/14/570043314.db2.gz	WPDYFXYGJQKXKY-HYARGMPZSA-N	-1	1	486.549	4.412	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000408910226	570072356	/nfs/dbraw/zinc/07/23/56/570072356.db2.gz	JSPZSOBSUXGQKP-OVCLIPMQSA-N	-1	1	465.358	4.228	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408963879	570086931	/nfs/dbraw/zinc/08/69/31/570086931.db2.gz	ANTUFKBSBHXONG-LICLKQGHSA-N	-1	1	497.935	4.416	40	10		JICBMM
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1OC	ZINC000409128631	570139181	/nfs/dbraw/zinc/13/91/81/570139181.db2.gz	FXOHKTAUMCBONY-VGOFMYFVSA-N	-1	1	479.316	4.158	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)c(C)c1	ZINC000409131394	570140263	/nfs/dbraw/zinc/14/02/63/570140263.db2.gz	XUTDUTNARGOIQR-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)[N-]C1=S	ZINC000409139368	570143855	/nfs/dbraw/zinc/14/38/55/570143855.db2.gz	DAKDJCWIDNXGNK-PXNMLYILSA-N	-1	1	488.794	4.362	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccccc1Cl	ZINC000409191220	570161942	/nfs/dbraw/zinc/16/19/42/570161942.db2.gz	DPWROUWNLBCPHI-LDADJPATSA-N	-1	1	479.945	4.277	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1	ZINC000409191529	570162081	/nfs/dbraw/zinc/16/20/81/570162081.db2.gz	YJLJQCANZPVFJM-GZTJUZNOSA-N	-1	1	452.875	4.130	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1	ZINC000409194518	570163131	/nfs/dbraw/zinc/16/31/31/570163131.db2.gz	OMWOMNUGKKTVSL-BOPFTXTBSA-N	-1	1	497.326	4.239	40	10		JICBMM
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)c2C)cc1	ZINC000409196492	570163731	/nfs/dbraw/zinc/16/37/31/570163731.db2.gz	ZOESWVCRYZYZSM-HYARGMPZSA-N	-1	1	489.553	4.022	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409214891	570171835	/nfs/dbraw/zinc/17/18/35/570171835.db2.gz	YKRJLUAIADLHCC-YBFXNURJSA-N	-1	1	479.945	4.277	40	10		JICBMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1	ZINC000409243292	570182993	/nfs/dbraw/zinc/18/29/93/570182993.db2.gz	ZXLMLADYOIXRQC-RVDMUPIBSA-N	-1	1	452.875	4.130	40	10		JICBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)NC2=S)c1	ZINC000408777034	570040405	/nfs/dbraw/zinc/04/04/05/570040405.db2.gz	UCRPHQUMKGMHAZ-OEAKJJBVSA-N	-1	1	486.549	4.412	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1	ZINC000408806111	570047559	/nfs/dbraw/zinc/04/75/59/570047559.db2.gz	AHPKTUOJZSHQEZ-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1	ZINC000408806111	570047560	/nfs/dbraw/zinc/04/75/60/570047560.db2.gz	AHPKTUOJZSHQEZ-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C([O-])c1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408961359	570085954	/nfs/dbraw/zinc/08/59/54/570085954.db2.gz	RZUAPHQMHOJNSK-UDWIEESQSA-N	-1	1	492.940	4.449	40	10		JICBMM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408964039	570086847	/nfs/dbraw/zinc/08/68/47/570086847.db2.gz	BHDCSOKLIBDGIB-XNTDXEJSSA-N	-1	1	470.865	4.269	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)cc1	ZINC000409188696	570161188	/nfs/dbraw/zinc/16/11/88/570161188.db2.gz	KARNFQXBNXZWEF-XSFVSMFZSA-N	-1	1	460.536	4.367	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)cc1Cl	ZINC000409231357	570177976	/nfs/dbraw/zinc/17/79/76/570177976.db2.gz	CIEQICIIRAMUKO-GZTJUZNOSA-N	-1	1	466.902	4.438	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000408533172	570188917	/nfs/dbraw/zinc/18/89/17/570188917.db2.gz	XKRFQOGSMPHKSB-SXGWCWSVSA-N	-1	1	493.404	4.272	40	10		JICBMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009265227	555041090	/nfs/dbraw/zinc/04/10/90/555041090.db2.gz	NLLSTAVCSLOOPA-ZDLGFXPLSA-N	-1	1	497.935	4.416	40	10		JICBMM
O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1	ZINC000016740493	556156427	/nfs/dbraw/zinc/15/64/27/556156427.db2.gz	ZABBIURYGXJELZ-UHFFFAOYSA-N	-1	1	470.620	4.425	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc([N+](=O)[O-])c1	ZINC000033492486	569626990	/nfs/dbraw/zinc/62/69/90/569626990.db2.gz	HAFIGTJGAXOFKA-HAHDFKILSA-N	-1	1	452.470	4.368	40	10		JICBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408634693	569985298	/nfs/dbraw/zinc/98/52/98/569985298.db2.gz	WNXLNOJBXQPCNK-KEBDBYFISA-N	-1	1	497.533	4.215	40	10		JICBMM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000408775893	570040254	/nfs/dbraw/zinc/04/02/54/570040254.db2.gz	SQIBYWNTHPDEIK-CIAFOILYSA-N	-1	1	492.940	4.449	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000408868995	570058855	/nfs/dbraw/zinc/05/88/55/570058855.db2.gz	QEOFXJURVUPKAL-UHFFFAOYSA-N	-1	1	481.371	4.404	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Cc1ccccc1Br	ZINC000408884799	570064196	/nfs/dbraw/zinc/06/41/96/570064196.db2.gz	ZSTBCTFXYSOIIY-UHFFFAOYSA-N	-1	1	479.783	4.006	40	10		JICBMM
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C(=O)NC2=S)cc1	ZINC000408908174	570071424	/nfs/dbraw/zinc/07/14/24/570071424.db2.gz	BKFYBGIWUULMTA-HYARGMPZSA-N	-1	1	487.581	4.494	40	10		JICBMM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000409103452	570129215	/nfs/dbraw/zinc/12/92/15/570129215.db2.gz	HAVIRWQIFZJCKX-MHWRWJLKSA-N	-1	1	486.336	4.314	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000409123692	570136882	/nfs/dbraw/zinc/13/68/82/570136882.db2.gz	ICZVAKPJNVFJKF-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000409188092	570161086	/nfs/dbraw/zinc/16/10/86/570161086.db2.gz	AEDZYBGOYCXJOL-LPYMAVHISA-N	-1	1	473.554	4.240	40	10		JICBMM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)c1	ZINC000409232233	570178304	/nfs/dbraw/zinc/17/83/04/570178304.db2.gz	PGBLVIKZGKOJKD-PTNGSMBKSA-N	-1	1	452.875	4.130	40	10		JICBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)c1	ZINC000408543715	570192266	/nfs/dbraw/zinc/19/22/66/570192266.db2.gz	QKRDBKBNSAFGSC-CIAFOILYSA-N	-1	1	499.548	4.429	40	10		JICBMM
O=C([O-])CN1C(=O)C(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)c2ccccc21	ZINC000008820694	554707679	/nfs/dbraw/zinc/70/76/79/554707679.db2.gz	JGPVZFLDSQQBBG-XTIFCCNPSA-N	-1	1	462.314	4.134	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4)c3)CC2)cc1	ZINC000014153330	555709106	/nfs/dbraw/zinc/70/91/06/555709106.db2.gz	KDSGKDVVUFZDNT-UHFFFAOYSA-N	-1	1	479.602	4.075	40	10		JICBMM
O=C(COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1ccc(F)cc1	ZINC000033406952	569626005	/nfs/dbraw/zinc/62/60/05/569626005.db2.gz	OCECOHSNJNVEKN-JLPGSUDCSA-N	-1	1	481.483	4.458	40	10		JICBMM
COc1ccc(C(=O)Oc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000408890674	570065611	/nfs/dbraw/zinc/06/56/11/570065611.db2.gz	XLRYFWPBYFIDQY-DHDCSXOGSA-N	-1	1	450.335	4.166	40	10		JICBMM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)cc(Cl)c3O)C2=O)cc1Cl	ZINC000408988903	570093389	/nfs/dbraw/zinc/09/33/89/570093389.db2.gz	SBQJZZPVWUFTMP-LFYBBSHMSA-N	-1	1	470.106	4.436	40	10		JICBMM
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)NC2=S)c1	ZINC000409199843	570164803	/nfs/dbraw/zinc/16/48/03/570164803.db2.gz	FDSRVFDOWKJPBV-FYJGNVAPSA-N	-1	1	489.553	4.022	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C(=O)NC1=S	ZINC000409201699	570165552	/nfs/dbraw/zinc/16/55/52/570165552.db2.gz	NLNLGCUNANLUKM-XSFVSMFZSA-N	-1	1	473.554	4.186	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)NC2=S)cc1Cl	ZINC000409241519	570182128	/nfs/dbraw/zinc/18/21/28/570182128.db2.gz	YBFGDSDHZPLADB-GZTJUZNOSA-N	-1	1	466.902	4.438	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)ccc4C)c3)CC2)cc1	ZINC000408547651	570193833	/nfs/dbraw/zinc/19/38/33/570193833.db2.gz	KRBQMUQITNYEQK-UHFFFAOYSA-N	-1	1	493.629	4.384	40	10		JICBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)c1C	ZINC000013673769	524689125	/nfs/dbraw/zinc/68/91/25/524689125.db2.gz	UIDWGXPODPFDKW-UHFFFAOYSA-N	-1	1	493.629	4.179	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000095925750	569730380	/nfs/dbraw/zinc/73/03/80/569730380.db2.gz	BFKGTVZVIGKVDR-YBFXNURJSA-N	-1	1	479.945	4.277	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000107589372	569856630	/nfs/dbraw/zinc/85/66/30/569856630.db2.gz	XIVKMWVUHOMANO-NDENLUEZSA-N	-1	1	492.915	4.477	40	10		JICBMM
O=C(Oc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)NC1=O)c1cccc2ccccc21	ZINC000408753899	570035046	/nfs/dbraw/zinc/03/50/46/570035046.db2.gz	KXXOSXMPSLYACA-UHFFFAOYSA-N	-1	1	452.491	4.127	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000408805450	570047236	/nfs/dbraw/zinc/04/72/36/570047236.db2.gz	KBWDGTCMLNZDKD-UHFFFAOYSA-N	-1	1	465.303	4.239	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000408805450	570047237	/nfs/dbraw/zinc/04/72/37/570047237.db2.gz	KBWDGTCMLNZDKD-UHFFFAOYSA-N	-1	1	465.303	4.239	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1	ZINC000408911812	570073108	/nfs/dbraw/zinc/07/31/08/570073108.db2.gz	DMQWLXLXKQIODB-VCHYOVAHSA-N	-1	1	466.946	4.337	40	10		JICBMM
CN1C(=O)/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[N-]C1=S	ZINC000408913127	570073824	/nfs/dbraw/zinc/07/38/24/570073824.db2.gz	KWQVZRYLHVWZCV-XDHOZWIPSA-N	-1	1	481.371	4.438	40	10		JICBMM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000408967007	570087739	/nfs/dbraw/zinc/08/77/39/570087739.db2.gz	PEDZVTYTTWAOHW-GDNBJRDFSA-N	-1	1	470.865	4.269	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C(=O)N1	ZINC000409040571	570107489	/nfs/dbraw/zinc/10/74/89/570107489.db2.gz	GSSBSOPLVHTPJX-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C(=O)N1	ZINC000409040571	570107490	/nfs/dbraw/zinc/10/74/90/570107490.db2.gz	GSSBSOPLVHTPJX-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1	ZINC000409190406	570161690	/nfs/dbraw/zinc/16/16/90/570161690.db2.gz	YNPUSOMYQSROSX-MHWRWJLKSA-N	-1	1	497.872	4.038	40	10		JICBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)c(C)c1	ZINC000013670429	555561179	/nfs/dbraw/zinc/56/11/79/555561179.db2.gz	AAXBNXOMORKKFD-UHFFFAOYSA-N	-1	1	493.629	4.179	40	10		JICBMM
CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000104124176	569841486	/nfs/dbraw/zinc/84/14/86/569841486.db2.gz	OTMZOLCCZBOOSN-DDJBQFQUSA-N	-1	1	471.926	4.216	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1	ZINC000408814755	570050159	/nfs/dbraw/zinc/05/01/59/570050159.db2.gz	ZQDCBCFJVNRADY-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1	ZINC000408814755	570050160	/nfs/dbraw/zinc/05/01/60/570050160.db2.gz	ZQDCBCFJVNRADY-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S	ZINC000409173663	570155798	/nfs/dbraw/zinc/15/57/98/570155798.db2.gz	NYCRZEUQRYEMSE-RVDMUPIBSA-N	-1	1	482.901	4.138	40	10		JICBMM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000409189182	570161398	/nfs/dbraw/zinc/16/13/98/570161398.db2.gz	DZWCDOAMEGUXTP-HMHNVIDESA-N	-1	1	458.923	4.047	40	10		JICBMM
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)NC2=S)cc1	ZINC000409207951	570167974	/nfs/dbraw/zinc/16/79/74/570167974.db2.gz	DGLOOISUESYCSE-KGENOOAVSA-N	-1	1	489.553	4.022	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)CC2)cc1	ZINC000408545509	570192924	/nfs/dbraw/zinc/19/29/24/570192924.db2.gz	TUGIFHDKWAMIFL-UHFFFAOYSA-N	-1	1	493.629	4.384	40	10		JICBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000059182324	195393793	/nfs/dbraw/zinc/39/37/93/195393793.db2.gz	QGKDAANMHOYTJE-CPNJWEJPSA-N	-1	1	481.578	4.480	40	10		JICBMM
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)c1	ZINC000015056228	555866801	/nfs/dbraw/zinc/86/68/01/555866801.db2.gz	FHXAVFUXYAOKOP-SXGWCWSVSA-N	-1	1	463.378	4.264	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000408917613	570075899	/nfs/dbraw/zinc/07/58/99/570075899.db2.gz	YJBNHYVLVXYGJL-OVCLIPMQSA-N	-1	1	465.358	4.228	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)c1C	ZINC000408959969	570085400	/nfs/dbraw/zinc/08/54/00/570085400.db2.gz	BEPGBHVCFBFJHR-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)c1	ZINC000408961051	570085908	/nfs/dbraw/zinc/08/59/08/570085908.db2.gz	QKWTUJJOLGGXTL-HYARGMPZSA-N	-1	1	486.549	4.412	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000409042584	570107921	/nfs/dbraw/zinc/10/79/21/570107921.db2.gz	NOLYYUOUWOGUMV-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000409086202	570123277	/nfs/dbraw/zinc/12/32/77/570123277.db2.gz	GKGGRDQBPVOPDJ-WJDWOHSUSA-N	-1	1	466.902	4.438	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1	ZINC000409190938	570161875	/nfs/dbraw/zinc/16/18/75/570161875.db2.gz	BUTYDVDFXGZRQH-GZTJUZNOSA-N	-1	1	486.427	4.495	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1	ZINC000409194441	570163067	/nfs/dbraw/zinc/16/30/67/570163067.db2.gz	LKCXKFSSRVOVTG-LDADJPATSA-N	-1	1	485.443	4.026	40	10		JICBMM
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OC(C)C	ZINC000409194566	570163104	/nfs/dbraw/zinc/16/31/04/570163104.db2.gz	PRSNCLPHSMHXFM-CXUHLZMHSA-N	-1	1	488.949	4.055	40	10		JICBMM
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c1	ZINC000409213491	570171146	/nfs/dbraw/zinc/17/11/46/570171146.db2.gz	PETKZQGHDZVNBO-MHWRWJLKSA-N	-1	1	456.526	4.253	40	10		JICBMM
Cc1cccc(NC(=O)COc2ccc(C=C3SC(=S)[N-]C3=O)cc2Br)c1	ZINC000408531207	570187964	/nfs/dbraw/zinc/18/79/64/570187964.db2.gz	OTHPOBVWPLTRFF-SXGWCWSVSA-N	-1	1	463.378	4.264	40	10		JICBMM
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)cc1	ZINC000408545196	570192693	/nfs/dbraw/zinc/19/26/93/570192693.db2.gz	ZUFMJYPZFANETI-FYJGNVAPSA-N	-1	1	499.548	4.375	40	10		JICBMM
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000000951779	553881504	/nfs/dbraw/zinc/88/15/04/553881504.db2.gz	TYDUPYDEJLIJOE-FBLLAGFSSA-N	-1	1	498.505	4.212	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC(=O)c1cccs1	ZINC000015944983	556081342	/nfs/dbraw/zinc/08/13/42/556081342.db2.gz	ZFYSGVAYMKFLDA-GHXNOFRVSA-N	-1	1	456.364	4.227	40	10		JICBMM
Cc1cc([O-])c(S(=O)(=O)c2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000026786904	556263312	/nfs/dbraw/zinc/26/33/12/556263312.db2.gz	IDDQECJUNGCEEC-UHFFFAOYSA-N	-1	1	496.950	4.204	40	10		JICBMM
COc1cccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O	ZINC000101114832	569783437	/nfs/dbraw/zinc/78/34/37/569783437.db2.gz	JAIXRIXGWKMHOY-URVUXULASA-N	-1	1	495.329	4.214	40	10		JICBMM
CCCCCCOc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)cc1	ZINC000041077948	569835928	/nfs/dbraw/zinc/83/59/28/569835928.db2.gz	YDSOHUYCBFSOTH-UHFFFAOYSA-N	-1	1	468.575	4.018	40	10		JICBMM
Cc1c(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2ccccc2n1Cc1ccc(Br)cc1	ZINC000408912442	570073488	/nfs/dbraw/zinc/07/34/88/570073488.db2.gz	GHLPZUPXNSCTBV-WOJGMQOQSA-N	-1	1	468.376	4.017	40	10		JICBMM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)c1	ZINC000409221851	570174784	/nfs/dbraw/zinc/17/47/84/570174784.db2.gz	VKCFQHSRUJCERU-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1O	ZINC000016427981	527048147	/nfs/dbraw/zinc/04/81/47/527048147.db2.gz	JOCMOGYUUXLFTN-SDQBBNPISA-N	-1	1	456.079	4.128	40	10		JICBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Sc2nc3ccccc3[nH]2)c1	ZINC000008870891	554765634	/nfs/dbraw/zinc/76/56/34/554765634.db2.gz	ZAZZUVRHFUOULA-UHFFFAOYSA-N	-1	1	456.505	4.437	40	10		JICBMM
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1	ZINC000038188485	569800492	/nfs/dbraw/zinc/80/04/92/569800492.db2.gz	ZBSCHXMOBIUDEP-ONNFQVAWSA-N	-1	1	470.073	4.013	40	10		JICBMM
C[C@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409188964	570161239	/nfs/dbraw/zinc/16/12/39/570161239.db2.gz	LPMRGLYJCYSBHJ-BTAWCLGRSA-N	-1	1	488.352	4.425	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)cc1C	ZINC000408541747	570191771	/nfs/dbraw/zinc/19/17/71/570191771.db2.gz	HLVILSQSZVWTLQ-CIAFOILYSA-N	-1	1	499.548	4.429	40	10		JICBMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1NC(=O)c1ccccc1F	ZINC000408556487	570197445	/nfs/dbraw/zinc/19/74/45/570197445.db2.gz	DCGDRKXQAGRFIX-UHFFFAOYSA-N	-1	1	458.467	4.006	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3cc([N-]S(=O)(=O)c4ccccc4)ccc3Cl)CC2)cc1	ZINC000044850522	524418857	/nfs/dbraw/zinc/41/88/57/524418857.db2.gz	QTFGNUDCNFMMHM-UHFFFAOYSA-N	-1	1	485.993	4.112	40	10		JICBMM
CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000104124184	569841580	/nfs/dbraw/zinc/84/15/80/569841580.db2.gz	OTMZOLCCZBOOSN-ZELGORGJSA-N	-1	1	471.926	4.216	40	10		JICBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])n1	ZINC000408633175	569984302	/nfs/dbraw/zinc/98/43/02/569984302.db2.gz	WUJPMHWWRDEEGT-XDHOZWIPSA-N	-1	1	472.954	4.188	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccccc1I	ZINC000408724709	570027878	/nfs/dbraw/zinc/02/78/78/570027878.db2.gz	GWUBNWHUZKWQFQ-DHDCSXOGSA-N	-1	1	497.335	4.008	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000408809393	570048646	/nfs/dbraw/zinc/04/86/46/570048646.db2.gz	NYZNBXXFTGTXGT-UHFFFAOYSA-N	-1	1	465.303	4.239	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000408809393	570048645	/nfs/dbraw/zinc/04/86/45/570048645.db2.gz	NYZNBXXFTGTXGT-UHFFFAOYSA-N	-1	1	465.303	4.239	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	ZINC000408882281	570063294	/nfs/dbraw/zinc/06/32/94/570063294.db2.gz	MFURFUCKQMRADR-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1Cc1ccccc1Cl	ZINC000408885278	570064344	/nfs/dbraw/zinc/06/43/44/570064344.db2.gz	YWWLSPOBJSIBPV-UHFFFAOYSA-N	-1	1	479.783	4.006	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1Cl	ZINC000409222049	570174883	/nfs/dbraw/zinc/17/48/83/570174883.db2.gz	BPEHSAGPNYRSDT-BOPFTXTBSA-N	-1	1	466.902	4.438	40	10		JICBMM
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(C(=O)[O-])cc1	ZINC000109042006	569860433	/nfs/dbraw/zinc/86/04/33/569860433.db2.gz	DYULJNXSMQUIQA-NDENLUEZSA-N	-1	1	478.888	4.087	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1	ZINC000409190614	570161738	/nfs/dbraw/zinc/16/17/38/570161738.db2.gz	SXRQGCBCOAQDPN-GZTJUZNOSA-N	-1	1	452.875	4.130	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000409192274	570162428	/nfs/dbraw/zinc/16/24/28/570162428.db2.gz	AKPROLIBZAPJLA-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409221088	570174432	/nfs/dbraw/zinc/17/44/32/570174432.db2.gz	KSMDQLXVDRONQX-RVDMUPIBSA-N	-1	1	452.875	4.130	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C(=O)NC2=S)c1	ZINC000408541487	570191596	/nfs/dbraw/zinc/19/15/96/570191596.db2.gz	GMBNWTFMDCMKIB-UDWIEESQSA-N	-1	1	485.521	4.121	40	10		JICBMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000059136294	195391526	/nfs/dbraw/zinc/39/15/26/195391526.db2.gz	ZPXLWRVMILMQHL-KPKJPENVSA-N	-1	1	478.885	4.013	40	10		JICBMM
Cc1c(Br)c([O-])c(Br)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000016779914	525523586	/nfs/dbraw/zinc/52/35/86/525523586.db2.gz	WRHHJXQPMIZAGA-UHFFFAOYSA-N	-1	1	480.134	4.243	40	10		JICBMM
Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000016268430	526087284	/nfs/dbraw/zinc/08/72/84/526087284.db2.gz	NCLYAYZHALLQSO-UDWIEESQSA-N	-1	1	461.499	4.170	40	10		JICBMM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000009323201	555096287	/nfs/dbraw/zinc/09/62/87/555096287.db2.gz	DWKZRTPCYIDRMM-WJDWOHSUSA-N	-1	1	466.902	4.438	40	10		JICBMM
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1	ZINC000020287738	555756451	/nfs/dbraw/zinc/75/64/51/555756451.db2.gz	WAKOEGOBTFSIDK-MOSHPQCFSA-N	-1	1	463.412	4.246	40	10		JICBMM
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc(C(=O)[O-])c1	ZINC000034761074	569657841	/nfs/dbraw/zinc/65/78/41/569657841.db2.gz	BJUSZFBLMXTCOX-HAHDFKILSA-N	-1	1	484.508	4.162	40	10		JICBMM
CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1	ZINC000104124429	569841572	/nfs/dbraw/zinc/84/15/72/569841572.db2.gz	TUWINWJMQMSFBQ-KQEYZTLISA-N	-1	1	465.535	4.179	40	10		JICBMM
CCN(CC)c1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c(O)c1	ZINC000408632476	569983699	/nfs/dbraw/zinc/98/36/99/569983699.db2.gz	JBZLZCMLVYWJEH-JAIQZWGSSA-N	-1	1	470.551	4.259	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000408844461	570054256	/nfs/dbraw/zinc/05/42/56/570054256.db2.gz	JEXYCUNLFDPLMD-CPNJWEJPSA-N	-1	1	460.511	4.347	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21	ZINC000408872059	570059963	/nfs/dbraw/zinc/05/99/63/570059963.db2.gz	JTJWIJOJXCECDG-UHFFFAOYSA-N	-1	1	466.946	4.304	40	10		JICBMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000408932162	570080426	/nfs/dbraw/zinc/08/04/26/570080426.db2.gz	BHGOHLWXVJUJNY-RVDMUPIBSA-N	-1	1	486.336	4.314	40	10		JICBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000408959860	570085386	/nfs/dbraw/zinc/08/53/86/570085386.db2.gz	HCXIXZSLMGNIAA-XSFVSMFZSA-N	-1	1	472.522	4.104	40	10		JICBMM
CCN1C(=O)/C(=C/c2cc(OC)c([O-])c(Br)c2Br)SC1=S	ZINC000409008263	570098618	/nfs/dbraw/zinc/09/86/18/570098618.db2.gz	XKUUVOGZQMFOEA-YVMONPNESA-N	-1	1	453.177	4.147	40	10		JICBMM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)c1C	ZINC000409145515	570146606	/nfs/dbraw/zinc/14/66/06/570146606.db2.gz	QBXYSHZODZHOBJ-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000409195176	570163325	/nfs/dbraw/zinc/16/33/25/570163325.db2.gz	RYAUZFNIPTXFCQ-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409215249	570172063	/nfs/dbraw/zinc/17/20/63/570172063.db2.gz	WBUYIPTVYFWSFV-DEDYPNTBSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009264439	555039385	/nfs/dbraw/zinc/03/93/85/555039385.db2.gz	NYHYHCXVJZBHHX-PDGQHHTCSA-N	-1	1	479.945	4.277	40	10		JICBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)c1	ZINC000010112150	555624629	/nfs/dbraw/zinc/62/46/29/555624629.db2.gz	GTWDCTYPBSANHI-UHFFFAOYSA-N	-1	1	493.629	4.179	40	10		JICBMM
CCCCCCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000108127683	569858807	/nfs/dbraw/zinc/85/88/07/569858807.db2.gz	MYADHOYDBYWWNK-UHFFFAOYSA-N	-1	1	490.217	4.085	40	10		JICBMM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000408783138	570042230	/nfs/dbraw/zinc/04/22/30/570042230.db2.gz	LIFJHFNBBWTKRY-FYJGNVAPSA-N	-1	1	492.940	4.449	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	ZINC000408866730	570058370	/nfs/dbraw/zinc/05/83/70/570058370.db2.gz	IEWPSKLFOPWXJH-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000408885806	570064361	/nfs/dbraw/zinc/06/43/61/570064361.db2.gz	BAUSXGKOSBYUNM-NVNXTCNLSA-N	-1	1	481.349	4.434	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000408915811	570075371	/nfs/dbraw/zinc/07/53/71/570075371.db2.gz	ZGUKOBXYTYQBQT-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)cc1	ZINC000408959977	570085334	/nfs/dbraw/zinc/08/53/34/570085334.db2.gz	BJOIGWQVAGWUFF-DEDYPNTBSA-N	-1	1	476.510	4.183	40	10		JICBMM
C[C@@H](C(=O)[O-])n1ccc2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)ccc21	ZINC000409188965	570161268	/nfs/dbraw/zinc/16/12/68/570161268.db2.gz	LPMRGLYJCYSBHJ-ZRRZQRFHSA-N	-1	1	488.352	4.425	40	10		JICBMM
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1	ZINC000409191833	570162252	/nfs/dbraw/zinc/16/22/52/570162252.db2.gz	OJQXEANHQIXVRL-LDADJPATSA-N	-1	1	464.524	4.269	40	10		JICBMM
CCOc1cc(COc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2)ccc1OCc1ccccc1	ZINC000408536688	570190642	/nfs/dbraw/zinc/19/06/42/570190642.db2.gz	AISFBICJFGIUQJ-UHFFFAOYSA-N	-1	1	488.565	4.158	40	10		JICBMM
O=C(Cn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1	ZINC000033735495	569632726	/nfs/dbraw/zinc/63/27/26/569632726.db2.gz	RVVTVHVOUYSJSU-HMAPJEAMSA-N	-1	1	470.916	4.395	40	10		JICBMM
CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1cc(C)cc(C)c1	ZINC000104124425	569841559	/nfs/dbraw/zinc/84/15/59/569841559.db2.gz	TUWINWJMQMSFBQ-RIACQAHJSA-N	-1	1	465.535	4.179	40	10		JICBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21	ZINC000408800196	570045172	/nfs/dbraw/zinc/04/51/72/570045172.db2.gz	NQLIDLVFKFTVPL-UHFFFAOYSA-N	-1	1	495.329	4.248	40	10		JICBMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21	ZINC000408800196	570045173	/nfs/dbraw/zinc/04/51/73/570045173.db2.gz	NQLIDLVFKFTVPL-UHFFFAOYSA-N	-1	1	495.329	4.248	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408868377	570058709	/nfs/dbraw/zinc/05/87/09/570058709.db2.gz	OFFFEPFOOQRFFB-UHFFFAOYSA-N	-1	1	471.749	4.149	40	10		JICBMM
Cc1ccc2ccccc2c1COc1ccc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000408878130	570061988	/nfs/dbraw/zinc/06/19/88/570061988.db2.gz	WSDZWPRIJADIPI-UHFFFAOYSA-N	-1	1	481.371	4.404	40	10		JICBMM
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)C(=O)[N-]C1=S	ZINC000408917672	570075912	/nfs/dbraw/zinc/07/59/12/570075912.db2.gz	ZQAYQGDYESJXIR-XDHOZWIPSA-N	-1	1	481.371	4.438	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1	ZINC000409188657	570161174	/nfs/dbraw/zinc/16/11/74/570161174.db2.gz	JHAXKXMCQCELLC-MHWRWJLKSA-N	-1	1	497.872	4.038	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cccc(C)c1C	ZINC000409191734	570162124	/nfs/dbraw/zinc/16/21/24/570162124.db2.gz	LXXXQUFQPJJYEU-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c3)CC2)cc1	ZINC000014155076	555712803	/nfs/dbraw/zinc/71/28/03/555712803.db2.gz	UUJMTJVOGCTPPD-UHFFFAOYSA-N	-1	1	493.629	4.384	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccccc1C	ZINC000035080191	569674485	/nfs/dbraw/zinc/67/44/85/569674485.db2.gz	BRCONGBDSQPFFR-KQWNVCNZSA-N	-1	1	464.525	4.358	40	10		JICBMM
O=C([O-])C(=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408635185	569985576	/nfs/dbraw/zinc/98/55/76/569985576.db2.gz	XTRNYLSCIGOMCL-LDADJPATSA-N	-1	1	487.925	4.088	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408808128	570048293	/nfs/dbraw/zinc/04/82/93/570048293.db2.gz	DJEJGOGAMWKCMM-UHFFFAOYSA-N	-1	1	471.749	4.149	40	10		JICBMM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000408960470	570085654	/nfs/dbraw/zinc/08/56/54/570085654.db2.gz	LYTIQGNDBQRDDP-WOJGMQOQSA-N	-1	1	466.902	4.438	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000408960455	570085666	/nfs/dbraw/zinc/08/56/66/570085666.db2.gz	LWTJFDXHLMVBSJ-KGENOOAVSA-N	-1	1	472.522	4.104	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)NC1=S	ZINC000408962798	570086468	/nfs/dbraw/zinc/08/64/68/570086468.db2.gz	VDHSGFNBZLGFTA-CPNJWEJPSA-N	-1	1	460.511	4.347	40	10		JICBMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1	ZINC000409038817	570107111	/nfs/dbraw/zinc/10/71/11/570107111.db2.gz	BGYADMHEJFIOKM-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1	ZINC000409038817	570107112	/nfs/dbraw/zinc/10/71/12/570107112.db2.gz	BGYADMHEJFIOKM-UHFFFAOYSA-N	-1	1	470.106	4.084	40	10		JICBMM
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)cc1	ZINC000409242306	570182448	/nfs/dbraw/zinc/18/24/48/570182448.db2.gz	WTDGQDSPDUFRKS-KGENOOAVSA-N	-1	1	459.527	4.130	40	10		JICBMM
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)NC1=S	ZINC000408543136	570191961	/nfs/dbraw/zinc/19/19/61/570191961.db2.gz	PJONZWLAOXUNFG-XDHOZWIPSA-N	-1	1	485.521	4.121	40	10		JICBMM
CCN(Cc1ccccc1)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000006144507	521377071	/nfs/dbraw/zinc/37/70/71/521377071.db2.gz	TYDUPYDEJLIJOE-RQTOMXEWSA-N	-1	1	498.505	4.212	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)CC2)cc1	ZINC000014155767	555714283	/nfs/dbraw/zinc/71/42/83/555714283.db2.gz	LVONMBZFPSRWTL-UHFFFAOYSA-N	-1	1	493.629	4.384	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1cccc(F)c1	ZINC000035080203	569674442	/nfs/dbraw/zinc/67/44/42/569674442.db2.gz	METVVZJHHYIAGI-HAHDFKILSA-N	-1	1	468.488	4.189	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc(C)cc1	ZINC000035080195	569674469	/nfs/dbraw/zinc/67/44/69/569674469.db2.gz	FQHGEXILTANOHD-JLPGSUDCSA-N	-1	1	464.525	4.358	40	10		JICBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1CC(=O)Nc1ccc(F)cc1	ZINC000035080206	569674480	/nfs/dbraw/zinc/67/44/80/569674480.db2.gz	KVKNRRUHNJXVGK-HAHDFKILSA-N	-1	1	468.488	4.189	40	10		JICBMM
O=C(NN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=S)c1ccc(Cl)cc1	ZINC000040940250	569834889	/nfs/dbraw/zinc/83/48/89/569834889.db2.gz	NCYRNRNQADNFJI-RIYZIHGNSA-N	-1	1	469.769	4.354	40	10		JICBMM
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)C(=O)NC2=S)cc1	ZINC000408772566	570039209	/nfs/dbraw/zinc/03/92/09/570039209.db2.gz	CVOCLDCTLHFBAJ-HZHRSRAPSA-N	-1	1	486.549	4.358	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408870221	570059378	/nfs/dbraw/zinc/05/93/78/570059378.db2.gz	VMPGLGFSNPLUPE-UHFFFAOYSA-N	-1	1	486.174	4.249	40	10		JICBMM
O=C1[N-]C(=S)NC(=O)C1=Cc1c(OCc2ccccc2Br)ccc2ccccc21	ZINC000408898795	570067856	/nfs/dbraw/zinc/06/78/56/570067856.db2.gz	NASGCLHQLLLYOT-UHFFFAOYSA-N	-1	1	467.344	4.096	40	10		JICBMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)c1	ZINC000408960921	570085864	/nfs/dbraw/zinc/08/58/64/570085864.db2.gz	JLGFVHXPSIPLSL-DEDYPNTBSA-N	-1	1	476.510	4.183	40	10		JICBMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	ZINC000408964704	570087125	/nfs/dbraw/zinc/08/71/25/570087125.db2.gz	FGTLCJXHRMLZTA-XNTDXEJSSA-N	-1	1	470.865	4.269	40	10		JICBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409080435	570121462	/nfs/dbraw/zinc/12/14/62/570121462.db2.gz	DHNVPTUTARWXQI-UHFFFAOYSA-N	-1	1	499.785	4.207	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409080435	570121463	/nfs/dbraw/zinc/12/14/63/570121463.db2.gz	DHNVPTUTARWXQI-UHFFFAOYSA-N	-1	1	499.785	4.207	40	10		JICBMM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1	ZINC000409188431	570161118	/nfs/dbraw/zinc/16/11/18/570161118.db2.gz	HMZQZLUZEAGNKU-RGEXLXHISA-N	-1	1	460.536	4.367	40	10		JICBMM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)o1	ZINC000409201475	570165492	/nfs/dbraw/zinc/16/54/92/570165492.db2.gz	NKPVSWQXYJIIMG-YBEGLDIGSA-N	-1	1	456.526	4.253	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000409251208	570185787	/nfs/dbraw/zinc/18/57/87/570185787.db2.gz	OWEFOZZWBZAXSZ-DEDYPNTBSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000059182326	195393862	/nfs/dbraw/zinc/39/38/62/195393862.db2.gz	JYWHFJUZEMCYEL-LDADJPATSA-N	-1	1	467.551	4.089	40	10		JICBMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009260368	555034631	/nfs/dbraw/zinc/03/46/31/555034631.db2.gz	WPMVJIXDIGBDCC-XKZIYDEJSA-N	-1	1	473.554	4.240	40	10		JICBMM
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009264443	555039320	/nfs/dbraw/zinc/03/93/20/555039320.db2.gz	TUUXRHRWFDRGOG-PDGQHHTCSA-N	-1	1	479.945	4.277	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)cc([N+](=O)[O-])c1O	ZINC000036034387	569752280	/nfs/dbraw/zinc/75/22/80/569752280.db2.gz	FLRGWAPKGAYXJQ-YBFXNURJSA-N	-1	1	473.441	4.232	40	10		JICBMM
CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(=O)Nc1ccc(Cl)cc1	ZINC000104124191	569841606	/nfs/dbraw/zinc/84/16/06/569841606.db2.gz	OTMZOLCCZBOOSN-RMBMZXQHSA-N	-1	1	471.926	4.216	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(Br)cc1OCc1cccc2ccccc21	ZINC000409086656	570123446	/nfs/dbraw/zinc/12/34/46/570123446.db2.gz	AGDSSIAQXUACFA-UHFFFAOYSA-N	-1	1	497.370	4.104	40	10		JICBMM
Cc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c2cc(Br)ccc21	ZINC000409160360	570151783	/nfs/dbraw/zinc/15/17/83/570151783.db2.gz	GZRAPRRCQGNYMY-WQRHYEAKSA-N	-1	1	498.402	4.048	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1C1CCCCC1	ZINC000409187781	570160918	/nfs/dbraw/zinc/16/09/18/570160918.db2.gz	CDPJSXQUPVSCFK-DEDYPNTBSA-N	-1	1	451.548	4.140	40	10		JICBMM
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1C(C)C	ZINC000409189203	570161389	/nfs/dbraw/zinc/16/13/89/570161389.db2.gz	FNVBXUKCTAGRIV-XDHOZWIPSA-N	-1	1	452.532	4.047	40	10		JICBMM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1	ZINC000409242588	570182607	/nfs/dbraw/zinc/18/26/07/570182607.db2.gz	RQOSAUAWJXVORR-LFIBNONCSA-N	-1	1	466.902	4.438	40	10		JICBMM
Cc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=O)N(c5ccc(F)cc5)C4=O)o3)[nH]c2c1	ZINC000059336651	195397665	/nfs/dbraw/zinc/39/76/65/195397665.db2.gz	XFVQSUDXBJXWNJ-LFIBNONCSA-N	-1	1	462.462	4.421	40	10		JICBMM
COc1ccc(N2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3C)CC2)cc1	ZINC000013677019	555567773	/nfs/dbraw/zinc/56/77/73/555567773.db2.gz	QAUNJRVCNHJIQA-UHFFFAOYSA-N	-1	1	479.602	4.075	40	10		JICBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2C)cc1C	ZINC000010112149	555624576	/nfs/dbraw/zinc/62/45/76/555624576.db2.gz	MEHUGIVWBPLRIN-UHFFFAOYSA-N	-1	1	493.629	4.179	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000107872516	569857727	/nfs/dbraw/zinc/85/77/27/569857727.db2.gz	MSDNXXTVTDUOMR-NDENLUEZSA-N	-1	1	492.915	4.477	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1	ZINC000408752869	570034726	/nfs/dbraw/zinc/03/47/26/570034726.db2.gz	CWDXSVOSHUKEMJ-GZTJUZNOSA-N	-1	1	466.902	4.438	40	10		JICBMM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S	ZINC000408753418	570034927	/nfs/dbraw/zinc/03/49/27/570034927.db2.gz	MQPFPMCKNCUELU-LFIBNONCSA-N	-1	1	466.902	4.438	40	10		JICBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408796088	570044468	/nfs/dbraw/zinc/04/44/68/570044468.db2.gz	DJUUXFJGAKPGEM-UHFFFAOYSA-N	-1	1	469.708	4.374	40	10		JICBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408796088	570044469	/nfs/dbraw/zinc/04/44/69/570044469.db2.gz	DJUUXFJGAKPGEM-UHFFFAOYSA-N	-1	1	469.708	4.374	40	10		JICBMM
CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408913570	570074146	/nfs/dbraw/zinc/07/41/46/570074146.db2.gz	LZTRWKNVXPBHFJ-WUXMJOGZSA-N	-1	1	455.750	4.482	40	10		JICBMM
O=C([O-])c1cccc(Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	ZINC000408917661	570075919	/nfs/dbraw/zinc/07/59/19/570075919.db2.gz	ZMLTWWKFJDSJOZ-XKZIYDEJSA-N	-1	1	499.523	4.358	40	10		JICBMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C(=O)NC2=S)c(C)c1	ZINC000408961909	570086323	/nfs/dbraw/zinc/08/63/23/570086323.db2.gz	PHNJOEYCJJPXHX-XDHOZWIPSA-N	-1	1	460.511	4.401	40	10		JICBMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)c1	ZINC000409012460	570099951	/nfs/dbraw/zinc/09/99/51/570099951.db2.gz	KFVKVLXSXIVXTE-UDWIEESQSA-N	-1	1	460.511	4.401	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409230796	570177691	/nfs/dbraw/zinc/17/76/91/570177691.db2.gz	GRZVCGDWNVAUGC-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C(=O)NC1=S	ZINC000408542636	570191867	/nfs/dbraw/zinc/19/18/67/570191867.db2.gz	MSLCKTRNJUMYGT-DEDYPNTBSA-N	-1	1	499.548	4.375	40	10		JICBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1cccc2ccccc21	ZINC000059536436	569606564	/nfs/dbraw/zinc/60/65/64/569606564.db2.gz	XJRBWJPONGEILW-UHFFFAOYSA-N	-1	1	466.946	4.385	40	10		JICBMM
O=C(COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O)Nc1cccc(F)c1	ZINC000035419626	569692208	/nfs/dbraw/zinc/69/22/08/569692208.db2.gz	WBNIMWHPNWIUPM-JLPGSUDCSA-N	-1	1	481.483	4.458	40	10		JICBMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408912452	570073481	/nfs/dbraw/zinc/07/34/81/570073481.db2.gz	GKOMMEJVJMYXBY-LFYBBSHMSA-N	-1	1	485.776	4.491	40	10		JICBMM
CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408913060	570073833	/nfs/dbraw/zinc/07/38/33/570073833.db2.gz	SHLLBRKDJKVYNG-AWNIVKPZSA-N	-1	1	455.750	4.482	40	10		JICBMM
CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)C(=O)[N-]C1=S	ZINC000408914936	570074926	/nfs/dbraw/zinc/07/49/26/570074926.db2.gz	RXOPRLVNLWJKTF-WUXMJOGZSA-N	-1	1	483.746	4.077	40	10		JICBMM
CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)C(=O)[N-]C1=S	ZINC000409141998	570145154	/nfs/dbraw/zinc/14/51/54/570145154.db2.gz	PDPYHLFKXSPYKU-RQZCQDPDSA-N	-1	1	486.366	4.238	40	10		JICBMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1cc(C)ccc1C	ZINC000409190544	570161698	/nfs/dbraw/zinc/16/16/98/570161698.db2.gz	ZEYXTKLEBQAUOB-FYJGNVAPSA-N	-1	1	473.554	4.240	40	10		JICBMM
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)[O-])c3C)C(=O)NC2=S)cc1	ZINC000409200972	570165273	/nfs/dbraw/zinc/16/52/73/570165273.db2.gz	KSVGCXCLRHJSJW-KGENOOAVSA-N	-1	1	473.554	4.186	40	10		JICBMM
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000409244676	570183620	/nfs/dbraw/zinc/18/36/20/570183620.db2.gz	HDHTYYQNDAUTFB-KGENOOAVSA-N	-1	1	459.527	4.130	40	10		JICBMM
CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)c(OC)c3)c2=O)c(C)c1	ZINC000408536750	570190591	/nfs/dbraw/zinc/19/05/91/570190591.db2.gz	XSVYCFVZKXXRGG-RGEXLXHISA-N	-1	1	491.013	4.406	40	10		JICBMM
CCOc1cc(COc2ccccc2C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccccc1	ZINC000408537498	570190809	/nfs/dbraw/zinc/19/08/09/570190809.db2.gz	FRIZYEIPTZGWIV-UHFFFAOYSA-N	-1	1	488.565	4.158	40	10		JICBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000408545189	570192710	/nfs/dbraw/zinc/19/27/10/570192710.db2.gz	ZRZTVNGOOSNLEZ-KGENOOAVSA-N	-1	1	468.600	4.389	40	10		JICBMM