smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1C	ZINC000408533954	231052440	/nfs/dbraw/zinc/05/24/40/231052440.db2.gz	PQIBIKNTKMVVDF-CPNJWEJPSA-N	-1	0	385.423	4.035	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1C	ZINC000408769668	231113475	/nfs/dbraw/zinc/11/34/75/231113475.db2.gz	YVTJISDETAQCMY-NTEUORMPSA-N	-1	0	389.238	4.277	40	10		GICBRM
CN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)SC1=S	ZINC000409350519	530039609	/nfs/dbraw/zinc/03/96/09/530039609.db2.gz	XXUFWTFFQLKOLH-NTUHNPAUSA-N	-1	0	379.846	4.129	40	10		GICBRM
COc1ccccc1/C=C1\SC(=S)N(c2cc(C(=O)[O-])ccc2C)C1=O	ZINC000005371292	204128120	/nfs/dbraw/zinc/12/81/20/204128120.db2.gz	SODWUPUPDPHUPO-YBEGLDIGSA-N	-1	0	385.466	4.108	40	10		GICBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000005374282	204129051	/nfs/dbraw/zinc/12/90/51/204129051.db2.gz	DMFRFOWGGGIZHI-IBIMOMITSA-N	-1	0	381.906	4.264	40	10		GICBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1C(=O)[O-]	ZINC000005373396	204129259	/nfs/dbraw/zinc/12/92/59/204129259.db2.gz	XISOPCLRHDSUSI-YVLHZVERSA-N	-1	0	398.509	4.165	40	10		GICBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000005374279	204129275	/nfs/dbraw/zinc/12/92/75/204129275.db2.gz	DMFRFOWGGGIZHI-RHQKYQKNSA-N	-1	0	381.906	4.264	40	10		GICBRM
O=C([O-])Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1	ZINC000036624780	205020442	/nfs/dbraw/zinc/02/04/42/205020442.db2.gz	YUTGZZNFKRRCDS-LICLKQGHSA-N	-1	0	394.477	4.201	40	10		GICBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)[N-]C1=S	ZINC000409245646	534821117	/nfs/dbraw/zinc/82/11/17/534821117.db2.gz	WYQAKSDMEGNEIZ-GHRIWEEISA-N	-1	0	388.448	4.086	40	10		GICBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4nccs4)c3=O)n2)cc1	ZINC000100510754	570272942	/nfs/dbraw/zinc/27/29/42/570272942.db2.gz	NHVSQGNWUDZYBE-YYZBOFOMSA-N	-1	0	398.473	4.150	40	10		GICBRM
Cc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000059198314	570651613	/nfs/dbraw/zinc/65/16/13/570651613.db2.gz	QGVUKBCURAGEQG-OQLLNIDSSA-N	-1	0	385.217	4.264	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc12	ZINC000059109567	570653944	/nfs/dbraw/zinc/65/39/44/570653944.db2.gz	GYINSSMTPBHVOC-XMHGGMMESA-N	-1	0	392.455	4.033	40	10		GICBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000170552779	570787257	/nfs/dbraw/zinc/78/72/57/570787257.db2.gz	YATCOQUXUCTPKH-UHFFFAOYSA-N	-1	0	380.878	4.273	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)n1C1CCCC1	ZINC000408789136	231114393	/nfs/dbraw/zinc/11/43/93/231114393.db2.gz	JRIZEADBQRXZJR-YBFXNURJSA-N	-1	0	395.434	4.026	40	10		GICBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	ZINC000005374191	204129351	/nfs/dbraw/zinc/12/93/51/204129351.db2.gz	VCBXBURSGYHKAN-OYUORYAFSA-N	-1	0	376.286	4.058	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1cccc2ccccc12	ZINC000006942467	204226354	/nfs/dbraw/zinc/22/63/54/204226354.db2.gz	AOTOFOIOGBGRBP-PDGQHHTCSA-N	-1	0	387.351	4.255	40	10		GICBRM
COC(=O)COc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408868795	533564132	/nfs/dbraw/zinc/56/41/32/533564132.db2.gz	BJSGHMGESVQFFL-FGSXEWAUSA-N	-1	0	393.439	4.072	40	10		GICBRM
Cc1cccc(C)c1NC=C1C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O	ZINC000408528431	534673348	/nfs/dbraw/zinc/67/33/48/534673348.db2.gz	HQAUUIPUCMWXLR-QGOAFFKASA-N	-1	0	385.423	4.035	40	10		GICBRM
CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1	ZINC000408884958	528288511	/nfs/dbraw/zinc/28/85/11/528288511.db2.gz	WGDISHKALPDXRE-LICLKQGHSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408806125	528692081	/nfs/dbraw/zinc/69/20/81/528692081.db2.gz	AVQDKWAOTRTZFE-SFQUDFHCSA-N	-1	0	398.846	4.104	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1c(O)ccc2ccccc12	ZINC000059106163	570653364	/nfs/dbraw/zinc/65/33/64/570653364.db2.gz	ZBYALDYIPTXOSK-BOPFTXTBSA-N	-1	0	376.343	4.191	40	10		GICBRM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000059860896	570660471	/nfs/dbraw/zinc/66/04/71/570660471.db2.gz	HWGGLMREJCFSFW-LFIBNONCSA-N	-1	0	394.427	4.217	40	10		GICBRM
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)SC1=S	ZINC000409007361	570692794	/nfs/dbraw/zinc/69/27/94/570692794.db2.gz	PNZOYQGUANYCFK-BOPFTXTBSA-N	-1	0	399.493	4.185	40	10		GICBRM
CCCCCCC1=CC(=NNc2ccc(S(N)(=O)=O)cc2)C(=O)C=C1[O-]	ZINC000018142049	570950919	/nfs/dbraw/zinc/95/09/19/570950919.db2.gz	BZVODXSVYXYGLN-QZQOTICOSA-N	-1	0	377.466	4.283	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(C)c1O	ZINC000038172330	821094659	/nfs/dbraw/zinc/09/46/59/821094659.db2.gz	YXXVWLIJRRGXTC-OVCLIPMQSA-N	-1	0	386.860	4.334	40	10		GICBRM
CCc1ccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000038172659	821094792	/nfs/dbraw/zinc/09/47/92/821094792.db2.gz	BJLKWDJDGWGLFO-GZTJUZNOSA-N	-1	0	375.453	4.402	40	10		GICBRM
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408898019	529387221	/nfs/dbraw/zinc/38/72/21/529387221.db2.gz	KNXZQGHVJFQSTB-LVLBFHFTSA-N	-1	0	398.846	4.184	40	10		GICBRM
O=C([N-]N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1cccs1	ZINC000409328608	231190174	/nfs/dbraw/zinc/19/01/74/231190174.db2.gz	YQOMPPNEDNNNCX-GHXNOFRVSA-N	-1	0	398.893	4.087	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1	ZINC000004341271	204038924	/nfs/dbraw/zinc/03/89/24/204038924.db2.gz	KXHHBMLBQZEPLN-ZROIWOOFSA-N	-1	0	375.858	4.444	40	10		GICBRM
Nc1ccc(C(=O)Nc2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2)cc1	ZINC000004523157	204050553	/nfs/dbraw/zinc/05/05/53/204050553.db2.gz	OCDSIKWPKIWLSG-GHVJWSGMSA-N	-1	0	396.428	4.183	40	10		GICBRM
Cc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000408848536	534575687	/nfs/dbraw/zinc/57/56/87/534575687.db2.gz	ZOXAJXZNCBVRAE-FMIVXFBMSA-N	-1	0	391.279	4.133	40	10		GICBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000408803502	528470939	/nfs/dbraw/zinc/47/09/39/528470939.db2.gz	PUHYYRFMARQTKL-LFIBNONCSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408804311	528767912	/nfs/dbraw/zinc/76/79/12/528767912.db2.gz	XIJSEGNGZNHTIG-LFIBNONCSA-N	-1	0	398.846	4.104	40	10		GICBRM
Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)o1	ZINC000034719606	570210040	/nfs/dbraw/zinc/21/00/40/570210040.db2.gz	WJJUEXNXIYPIBS-PDGQHHTCSA-N	-1	0	378.815	4.370	40	10		GICBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc3ccccc23)C1=O	ZINC000408876754	231123282	/nfs/dbraw/zinc/12/32/82/231123282.db2.gz	NGYVQVGICUTHJJ-SFQUDFHCSA-N	-1	0	390.826	4.468	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)cc1	ZINC000408804467	231116115	/nfs/dbraw/zinc/11/61/15/231116115.db2.gz	AERIZGYKXSGCBH-GZTJUZNOSA-N	-1	0	398.846	4.102	40	10		GICBRM
O=C([N-]N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1cccs1	ZINC000409348304	231194047	/nfs/dbraw/zinc/19/40/47/231194047.db2.gz	SKRAEGURHOAALJ-LFIBNONCSA-N	-1	0	396.518	4.448	40	10		GICBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374334	204129613	/nfs/dbraw/zinc/12/96/13/204129613.db2.gz	ZGBJEPYGRLQJMX-HIAXIYLWSA-N	-1	0	387.885	4.180	40	10		GICBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S	ZINC000005372160	204129645	/nfs/dbraw/zinc/12/96/45/204129645.db2.gz	IMLCYGLVWHRUQW-YVLHZVERSA-N	-1	0	398.509	4.165	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl	ZINC000408777954	528369562	/nfs/dbraw/zinc/36/95/62/528369562.db2.gz	NBCVWHDHSDYTRI-MHWRWJLKSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1	ZINC000408942282	528731214	/nfs/dbraw/zinc/73/12/14/528731214.db2.gz	YVDXKBQCCPDTKB-BOPFTXTBSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCN1C(=O)/C(=C/c2cc(Cl)c([O-])c(Br)c2)SC1=S	ZINC000409375561	528943580	/nfs/dbraw/zinc/94/35/80/528943580.db2.gz	MNICZIDSFVRDHZ-UITAMQMPSA-N	-1	0	378.700	4.029	40	10		GICBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2cn(C)c3ccccc23)S1	ZINC000020226943	570249099	/nfs/dbraw/zinc/24/90/99/570249099.db2.gz	NAQYCNHRCXWHSL-VCHYOVAHSA-N	-1	0	391.452	4.267	40	10		GICBRM
O=C([O-])c1ccc(C=C2SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1	ZINC000035397582	570552852	/nfs/dbraw/zinc/55/28/52/570552852.db2.gz	XIBBUVCKYAVHMW-AUWJEWJLSA-N	-1	0	376.796	4.260	40	10		GICBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)ccc1Br	ZINC000059860451	570660498	/nfs/dbraw/zinc/66/04/98/570660498.db2.gz	PDHPKAJPNYWEGD-XYOKQWHBSA-N	-1	0	391.246	4.326	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCC1	ZINC000408777412	570683198	/nfs/dbraw/zinc/68/31/98/570683198.db2.gz	YMJCBHLKJJWTDS-DEDYPNTBSA-N	-1	0	391.471	4.195	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000408739624	231109169	/nfs/dbraw/zinc/10/91/69/231109169.db2.gz	DIPQJLUHXZXXTO-SFQUDFHCSA-N	-1	0	392.798	4.266	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	ZINC000408740184	231109969	/nfs/dbraw/zinc/10/99/69/231109969.db2.gz	JEESFDHNRAQFSL-SFQUDFHCSA-N	-1	0	392.798	4.266	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1C(C)C	ZINC000409125776	231167067	/nfs/dbraw/zinc/16/70/67/231167067.db2.gz	FFAOMIDDSVNSAK-WOJGMQOQSA-N	-1	0	395.528	4.134	40	10		GICBRM
O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	ZINC000409089318	231157543	/nfs/dbraw/zinc/15/75/43/231157543.db2.gz	ILRYEAGOUPYVCY-DKBJHAQFSA-N	-1	0	390.313	4.079	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C(C)C	ZINC000409243003	231186842	/nfs/dbraw/zinc/18/68/42/231186842.db2.gz	UEOWMEYJYRTFNJ-MHWRWJLKSA-N	-1	0	399.878	4.314	40	10		GICBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	ZINC000005372209	204129413	/nfs/dbraw/zinc/12/94/13/204129413.db2.gz	JMYDSNHVYLNASH-MIEVRDIISA-N	-1	0	375.515	4.478	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)cc1O	ZINC000035648817	204996221	/nfs/dbraw/zinc/99/62/21/204996221.db2.gz	JCCCMMZGJQSUKG-WLTDFXCXSA-N	-1	0	383.450	4.052	40	10		GICBRM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1	ZINC000057690631	205160947	/nfs/dbraw/zinc/16/09/47/205160947.db2.gz	GSBIRGWAJWLMJK-UHFFFAOYSA-N	-1	0	380.878	4.273	40	10		GICBRM
CCOc1ccc(N2C(=O)C(=Cc3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1	ZINC000033313295	206097267	/nfs/dbraw/zinc/09/72/67/206097267.db2.gz	JRJQHYNMXBLGGZ-LGMDPLHJSA-N	-1	0	397.500	4.313	40	10		GICBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2Cl)C1=O	ZINC000408999438	534455538	/nfs/dbraw/zinc/45/55/38/534455538.db2.gz	LAFAEWCGGKGKBI-JXMROGBWSA-N	-1	0	381.240	4.030	40	10		GICBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(C(=O)OC)cc1	ZINC000103918888	528066357	/nfs/dbraw/zinc/06/63/57/528066357.db2.gz	GBUDAXWZSXTDBR-HKWRFOASSA-N	-1	0	377.444	4.362	40	10		GICBRM
Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000038203298	570413156	/nfs/dbraw/zinc/41/31/56/570413156.db2.gz	JGNIDYFCJBGYPR-XNTDXEJSSA-N	-1	0	385.217	4.264	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc(Br)c1	ZINC000059135017	570650316	/nfs/dbraw/zinc/65/03/16/570650316.db2.gz	RTIXSKCKAUIRAE-NTEUORMPSA-N	-1	0	389.180	4.095	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	ZINC000408777588	570683157	/nfs/dbraw/zinc/68/31/57/570683157.db2.gz	CQMDDAGTMKQNSR-MHWRWJLKSA-N	-1	0	398.846	4.022	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(C)c1O	ZINC000038181542	821094589	/nfs/dbraw/zinc/09/45/89/821094589.db2.gz	BNASFPKKKDQQJH-OQLLNIDSSA-N	-1	0	386.860	4.334	40	10		GICBRM
Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000408855897	231122931	/nfs/dbraw/zinc/12/29/31/231122931.db2.gz	GMLXZJOMYITSSS-FMIVXFBMSA-N	-1	0	391.279	4.133	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4[nH]c5ccccc5c4c3)C2=O)cc1	ZINC000408895888	231126378	/nfs/dbraw/zinc/12/63/78/231126378.db2.gz	GADIUGAETVTUHT-CPNJWEJPSA-N	-1	0	395.418	4.296	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1Cl	ZINC000408809875	231117129	/nfs/dbraw/zinc/11/71/29/231117129.db2.gz	SKYGPVHSUHAPAK-MHWRWJLKSA-N	-1	0	398.846	4.102	40	10		GICBRM
O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	ZINC000409089319	231157283	/nfs/dbraw/zinc/15/72/83/231157283.db2.gz	ILRYEAGOUPYVCY-TXEUWIOXSA-N	-1	0	390.313	4.079	40	10		GICBRM
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c1C	ZINC000408961647	529733817	/nfs/dbraw/zinc/73/38/17/529733817.db2.gz	UJELGMLVAGLFLQ-YVLHZVERSA-N	-1	0	398.484	4.086	40	10		GICBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c1	ZINC000004341274	204039176	/nfs/dbraw/zinc/03/91/76/204039176.db2.gz	ZKWYZMQOKWTQLQ-ZSOIEALJSA-N	-1	0	375.858	4.444	40	10		GICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004718528	204067484	/nfs/dbraw/zinc/06/74/84/204067484.db2.gz	PJWMSJZDTARCKR-DCGLDWPTSA-N	-1	0	381.344	4.028	40	10		GICBRM
COc1ccc(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000081217766	205386207	/nfs/dbraw/zinc/38/62/07/205386207.db2.gz	NNQTZTPWCCIXQZ-UHFFFAOYSA-N	-1	0	381.453	4.035	40	10		GICBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc4ccccc43)o2)SC1=S	ZINC000003066368	570533819	/nfs/dbraw/zinc/53/38/19/570533819.db2.gz	GTYMCKKFGDWJHK-LICLKQGHSA-N	-1	0	395.461	4.386	40	10		GICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1	ZINC000059138020	570650710	/nfs/dbraw/zinc/65/07/10/570650710.db2.gz	WBLJDSHCQSBJAN-GHRIWEEISA-N	-1	0	379.416	4.085	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	ZINC000059426683	570657049	/nfs/dbraw/zinc/65/70/49/570657049.db2.gz	UJKFMWHOTFTLQF-KPKJPENVSA-N	-1	0	395.629	4.313	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Cl	ZINC000408774490	570682690	/nfs/dbraw/zinc/68/26/90/570682690.db2.gz	WAGITKNPFWIREL-XNTDXEJSSA-N	-1	0	398.846	4.022	40	10		GICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)c1	ZINC000408803086	231115035	/nfs/dbraw/zinc/11/50/35/231115035.db2.gz	LDWHULKDDFAXJI-MHWRWJLKSA-N	-1	0	398.846	4.102	40	10		GICBRM
O=C([O-])c1cc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)ccc1O	ZINC000005373366	204129120	/nfs/dbraw/zinc/12/91/20/204129120.db2.gz	PNZFNGDFIYHZCU-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1O	ZINC000005373405	204129693	/nfs/dbraw/zinc/12/96/93/204129693.db2.gz	KUKLJTZKJNTJGO-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)[N-]C1=S	ZINC000005549147	204139050	/nfs/dbraw/zinc/13/90/50/204139050.db2.gz	LAVMQSXCEPUWDU-XFXZXTDPSA-N	-1	0	391.279	4.133	40	10		GICBRM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	ZINC000033321314	206098954	/nfs/dbraw/zinc/09/89/54/206098954.db2.gz	FZAKHGBOHMKVJZ-ATVHPVEESA-N	-1	0	394.427	4.163	40	10		GICBRM
CCCC1=NN2C(=NC(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1	ZINC000004670459	206214440	/nfs/dbraw/zinc/21/44/40/206214440.db2.gz	WPSHSPOIIKVHEH-JTWKBZCVSA-N	-1	0	383.260	4.118	40	10		GICBRM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4nccs4)c3=O)n2)cc1	ZINC000100510756	570272832	/nfs/dbraw/zinc/27/28/32/570272832.db2.gz	NHVSQGNWUDZYBE-PXKHIBQASA-N	-1	0	398.473	4.150	40	10		GICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)C2=O)c1	ZINC000409010485	570693247	/nfs/dbraw/zinc/69/32/47/570693247.db2.gz	KQWKHARPZMDYLG-LDADJPATSA-N	-1	0	390.370	4.061	40	10		GICBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O	ZINC000005947739	570736644	/nfs/dbraw/zinc/73/66/44/570736644.db2.gz	AUBKTCKCAQSGSE-WOJGMQOQSA-N	-1	0	391.402	4.151	40	10		GICBRM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Br)cn1	ZINC000013575885	570759511	/nfs/dbraw/zinc/75/95/11/570759511.db2.gz	XMBAEISXLNWFDL-ZROIWOOFSA-N	-1	0	391.656	4.216	40	10		GICBRM
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000408819320	231118798	/nfs/dbraw/zinc/11/87/98/231118798.db2.gz	PZFZEBOMMXCCLE-NVNXTCNLSA-N	-1	0	390.848	4.112	40	10		GICBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1	ZINC000408912384	231129136	/nfs/dbraw/zinc/12/91/36/231129136.db2.gz	FNXYTMDONKGTJP-DEDYPNTBSA-N	-1	0	386.382	4.159	40	10		GICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC(C)C)C2=O)c1	ZINC000408800580	231115340	/nfs/dbraw/zinc/11/53/40/231115340.db2.gz	PWEDFFBKUYSRTC-GZTJUZNOSA-N	-1	0	398.846	4.102	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C(C)(C)C	ZINC000408967960	231138230	/nfs/dbraw/zinc/13/82/30/231138230.db2.gz	YGWSDOFMBOJOKM-XDHOZWIPSA-N	-1	0	393.487	4.143	40	10		GICBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374335	204129516	/nfs/dbraw/zinc/12/95/16/204129516.db2.gz	ZGBJEPYGRLQJMX-OQTCTZCMSA-N	-1	0	387.885	4.180	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-]	ZINC000033319631	206098185	/nfs/dbraw/zinc/09/81/85/206098185.db2.gz	AAJVGLWXPVNUSH-PVZSTHCMSA-N	-1	0	397.774	4.311	40	10		GICBRM
CSc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408984025	534178555	/nfs/dbraw/zinc/17/85/55/534178555.db2.gz	HTVWOCXYDIMZHD-DHDCSXOGSA-N	-1	0	386.860	4.037	40	10		GICBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(Cl)cc2)N=C1C	ZINC000103990351	570297313	/nfs/dbraw/zinc/29/73/13/570297313.db2.gz	MTNDRJLSBAYSAA-XDHOZWIPSA-N	-1	0	392.846	4.346	40	10		GICBRM
O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1	ZINC000408758704	570454830	/nfs/dbraw/zinc/45/48/30/570454830.db2.gz	PMNKKJFTMIVKBD-XSFVSMFZSA-N	-1	0	386.382	4.358	40	10		GICBRM
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1C	ZINC000059138553	570650763	/nfs/dbraw/zinc/65/07/63/570650763.db2.gz	KXICBMYDWFLBBZ-SFQUDFHCSA-N	-1	0	395.484	4.168	40	10		GICBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)c1	ZINC000016932759	570918248	/nfs/dbraw/zinc/91/82/48/570918248.db2.gz	SNRSKHLZMLQBMK-MFOYZWKCSA-N	-1	0	395.461	4.109	40	10		GICBRM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409242140	529382827	/nfs/dbraw/zinc/38/28/27/529382827.db2.gz	MQMBFJHXJCUCDV-COYFKBPASA-N	-1	0	394.496	4.004	40	10		GICBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(C)C)C1=O	ZINC000408810881	231117330	/nfs/dbraw/zinc/11/73/30/231117330.db2.gz	JSVZHJSTXRZPRN-RVDMUPIBSA-N	-1	0	398.846	4.102	40	10		GICBRM
O=C(NC1=NC(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)S1)c1ccccc1	ZINC000409125757	231167374	/nfs/dbraw/zinc/16/73/74/231167374.db2.gz	KGLBVPTVPIYYHG-JYRVWZFOSA-N	-1	0	393.251	4.099	40	10		GICBRM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S	ZINC000008202297	209134328	/nfs/dbraw/zinc/13/43/28/209134328.db2.gz	SQXQQDPJICIETD-ZPDHENSJSA-N	-1	0	393.555	4.040	40	10		GICBRM
COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1C(C)C	ZINC000408785243	533564001	/nfs/dbraw/zinc/56/40/01/533564001.db2.gz	VHYGOYKXHZZCEF-XDHOZWIPSA-N	-1	0	392.455	4.102	40	10		GICBRM
Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000409331459	534015335	/nfs/dbraw/zinc/01/53/35/534015335.db2.gz	FSGGZRVKQCBIMA-BAQGIRSFSA-N	-1	0	386.795	4.027	40	10		GICBRM
CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000408881581	528288371	/nfs/dbraw/zinc/28/83/71/528288371.db2.gz	NLQVBXPPYVJAGX-VCHYOVAHSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000408814278	528640663	/nfs/dbraw/zinc/64/06/63/528640663.db2.gz	YXWMXHBGTSXZRN-LFIBNONCSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000408942337	528730405	/nfs/dbraw/zinc/73/04/05/528730405.db2.gz	ZEIAQPYJZYXOEM-BOPFTXTBSA-N	-1	0	398.846	4.104	40	10		GICBRM
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408898020	529197126	/nfs/dbraw/zinc/19/71/26/529197126.db2.gz	KNXZQGHVJFQSTB-VLURKWGBSA-N	-1	0	398.846	4.184	40	10		GICBRM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)ccc1O	ZINC000005374190	570435992	/nfs/dbraw/zinc/43/59/92/570435992.db2.gz	IJLPEHLULZTIAV-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C1=O	ZINC000005947749	570737353	/nfs/dbraw/zinc/73/73/53/570737353.db2.gz	VHBBZWPINDNUSY-GZTJUZNOSA-N	-1	0	391.402	4.151	40	10		GICBRM
Cc1ccc(CN2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000016292321	570921025	/nfs/dbraw/zinc/92/10/25/570921025.db2.gz	MCORWDYXGNLIEX-SXGWCWSVSA-N	-1	0	386.454	4.010	40	10		GICBRM
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408896671	529387210	/nfs/dbraw/zinc/38/72/10/529387210.db2.gz	HCWPBERDKHKQGU-CXDFQFJYSA-N	-1	0	392.455	4.147	40	10		GICBRM
O=C([O-])c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1	ZINC000408764746	231113112	/nfs/dbraw/zinc/11/31/12/231113112.db2.gz	YEDRIDRADLCZCT-XSFVSMFZSA-N	-1	0	386.382	4.358	40	10		GICBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C(C)C)cc1	ZINC000409130143	231168204	/nfs/dbraw/zinc/16/82/04/231168204.db2.gz	LWFPZAZXVVNHJZ-VCHYOVAHSA-N	-1	0	398.484	4.338	40	10		GICBRM
CC(=O)Nc1ccc(/N=N/c2ccc(N)c3cc(S(=O)(=O)[O-])ccc23)cc1	ZINC000004523155	206526204	/nfs/dbraw/zinc/52/62/04/206526204.db2.gz	VXEIJMQIXOIRFD-QURGRASLSA-N	-1	0	384.417	4.043	40	10		GICBRM
Cc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000031772079	207384352	/nfs/dbraw/zinc/38/43/52/207384352.db2.gz	ZUPQHVGHXZCCRM-FEEIMYBTSA-N	-1	0	383.494	4.412	40	10		GICBRM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1Cl	ZINC000097287254	208343185	/nfs/dbraw/zinc/34/31/85/208343185.db2.gz	BOFILBJSYKHQSL-UHFFFAOYSA-N	-1	0	380.878	4.273	40	10		GICBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)s1	ZINC000409104739	534247932	/nfs/dbraw/zinc/24/79/32/534247932.db2.gz	HTUOKCLYPMQRRF-JXMROGBWSA-N	-1	0	381.240	4.030	40	10		GICBRM
CCOC(=O)c1ccc(N=C(C)c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1	ZINC000112121209	528226358	/nfs/dbraw/zinc/22/63/58/528226358.db2.gz	QYSIJKFAMFNDPA-UYRXBGFRSA-N	-1	0	381.407	4.111	40	10		GICBRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)SC1=S	ZINC000409333763	530039643	/nfs/dbraw/zinc/03/96/43/530039643.db2.gz	VPYKBQONSSJGTF-NTUHNPAUSA-N	-1	0	379.846	4.129	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	ZINC000408780154	534784057	/nfs/dbraw/zinc/78/40/57/534784057.db2.gz	UABIHYHXYOAIQK-XYOKQWHBSA-N	-1	0	395.629	4.313	40	10		GICBRM
O=C([O-])c1ccc(C=C2SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1	ZINC000035397580	570552646	/nfs/dbraw/zinc/55/26/46/570552646.db2.gz	TZGJWPMNNQRKFC-ZROIWOOFSA-N	-1	0	392.358	4.486	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCC1	ZINC000408771123	570681932	/nfs/dbraw/zinc/68/19/32/570681932.db2.gz	CSPJKJOJYYLFRI-DEDYPNTBSA-N	-1	0	391.471	4.195	40	10		GICBRM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408535868	231053481	/nfs/dbraw/zinc/05/34/81/231053481.db2.gz	UGQKDBBVRIKTIY-SFQUDFHCSA-N	-1	0	391.814	4.072	40	10		GICBRM
O=C1/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])SC(=S)N1c1ccccc1	ZINC000408961531	231136446	/nfs/dbraw/zinc/13/64/46/231136446.db2.gz	MWZICWMENWLKFX-NTUHNPAUSA-N	-1	0	392.845	4.360	40	10		GICBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000409213338	231181291	/nfs/dbraw/zinc/18/12/91/231181291.db2.gz	SLCGDTRSWNKNSZ-AWNIVKPZSA-N	-1	0	395.629	4.313	40	10		GICBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000034387643	206257764	/nfs/dbraw/zinc/25/77/64/206257764.db2.gz	YBJUKZQNXOYFQK-MHWRWJLKSA-N	-1	0	380.331	4.181	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3cccc(C)c3C)C2=O)cc1	ZINC000408961195	231136020	/nfs/dbraw/zinc/13/60/20/231136020.db2.gz	LFIPVRIGVTYKDB-XSFVSMFZSA-N	-1	0	399.450	4.069	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)C	ZINC000408963118	231136204	/nfs/dbraw/zinc/13/62/04/231136204.db2.gz	ACEJOQWMXBPLBC-LICLKQGHSA-N	-1	0	385.851	4.006	40	10		GICBRM
CCCCC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)O1	ZINC000003622528	209117624	/nfs/dbraw/zinc/11/76/24/209117624.db2.gz	UNPHRBXNIYLJTI-UHFFFAOYSA-N	-1	0	398.411	4.343	40	10		GICBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000098063082	136188860	/nfs/dbraw/zinc/18/88/60/136188860.db2.gz	DYOYEHWFTUFVOH-FMIVXFBMSA-N	-1	0	391.279	4.133	40	10		GICBRM
COc1ccccc1C1=N/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000408840003	534002987	/nfs/dbraw/zinc/00/29/87/534002987.db2.gz	AAODWORNVJVMGD-HMMYKYKNSA-N	-1	0	398.418	4.228	40	10		GICBRM
COc1ccc(C=CC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000001147712	536596666	/nfs/dbraw/zinc/59/66/66/536596666.db2.gz	WNYCYGDLSVIZMN-FKJKDRHESA-N	-1	0	382.416	4.062	40	10		GICBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004425592	570374638	/nfs/dbraw/zinc/37/46/38/570374638.db2.gz	WXBPHVRHBYPNJB-WBILKINKSA-N	-1	0	399.493	4.112	40	10		GICBRM
Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000005214079	570431375	/nfs/dbraw/zinc/43/13/75/570431375.db2.gz	ZUPQHVGHXZCCRM-FDIDWWNZSA-N	-1	0	383.494	4.412	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000005373533	570435968	/nfs/dbraw/zinc/43/59/68/570435968.db2.gz	OXUCVRLBKMPSJX-GFWHJHDHSA-N	-1	0	397.521	4.146	40	10		GICBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)ccc1OC	ZINC000059861437	570660479	/nfs/dbraw/zinc/66/04/79/570660479.db2.gz	VGDRHKGRWHJOIC-LFIBNONCSA-N	-1	0	394.427	4.217	40	10		GICBRM
CCCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000059860398	570660495	/nfs/dbraw/zinc/66/04/95/570660495.db2.gz	LWJMIZDGLYOKCK-NBVRZTHBSA-N	-1	0	394.427	4.381	40	10		GICBRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1O	ZINC000038173031	821094413	/nfs/dbraw/zinc/09/44/13/821094413.db2.gz	NZGSUXBKIGAUQJ-LFIBNONCSA-N	-1	0	396.468	4.025	40	10		GICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3C)C2=O)c1	ZINC000408960783	231135923	/nfs/dbraw/zinc/13/59/23/231135923.db2.gz	IXOJHZVJIOFSOG-XSFVSMFZSA-N	-1	0	399.450	4.069	40	10		GICBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1c(C)cc(C)cc1C	ZINC000409134679	231169448	/nfs/dbraw/zinc/16/94/48/231169448.db2.gz	PENQXNYHEUANGM-RQZCQDPDSA-N	-1	0	398.484	4.140	40	10		GICBRM
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O	ZINC000409344501	231193933	/nfs/dbraw/zinc/19/39/33/231193933.db2.gz	JNUDNWJLWNRDBV-OQLLNIDSSA-N	-1	0	399.522	4.084	40	10		GICBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2c(F)cccc2Cl)S1	ZINC000020227076	207184567	/nfs/dbraw/zinc/18/45/67/207184567.db2.gz	AJLNTDBLXSKFPP-ZSOIEALJSA-N	-1	0	376.796	4.260	40	10		GICBRM
Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000001161199	136196083	/nfs/dbraw/zinc/19/60/83/136196083.db2.gz	BAJQAUSPQIFVPY-CSKARUKUSA-N	-1	0	380.256	4.004	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccc(N(C)C)cc3)C2=O)cc1	ZINC000001202893	136196211	/nfs/dbraw/zinc/19/62/11/136196211.db2.gz	PWTBKWGOGGNEKK-QZRSKMOPSA-N	-1	0	375.428	4.124	40	10		GICBRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CCOCC(F)(F)F	ZINC000409376509	534494923	/nfs/dbraw/zinc/49/49/23/534494923.db2.gz	BKGMTOASBCVMIG-UHFFFAOYSA-N	-1	0	375.774	4.405	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000409200762	534784799	/nfs/dbraw/zinc/78/47/99/534784799.db2.gz	JDEYAJCQEPKJIG-KPKJPENVSA-N	-1	0	395.629	4.313	40	10		GICBRM
CC(=Nc1cccnc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000103920337	527539899	/nfs/dbraw/zinc/53/98/99/527539899.db2.gz	LAMBDLBUBWSEAJ-HKWRFOASSA-N	-1	0	399.410	4.127	40	10		GICBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408817046	528767847	/nfs/dbraw/zinc/76/78/47/528767847.db2.gz	VOSBARAQALCGIR-NTCAYCPXSA-N	-1	0	398.846	4.104	40	10		GICBRM
COc1cccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1	ZINC000005371313	570435339	/nfs/dbraw/zinc/43/53/39/570435339.db2.gz	LPYOALZOOZIMPO-SXGWCWSVSA-N	-1	0	385.466	4.108	40	10		GICBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1c(O)ccc2ccccc21	ZINC000059135701	570650202	/nfs/dbraw/zinc/65/02/02/570650202.db2.gz	MRTVFKRSMBLURB-PTNGSMBKSA-N	-1	0	392.411	4.356	40	10		GICBRM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1	ZINC000059198482	570651724	/nfs/dbraw/zinc/65/17/24/570651724.db2.gz	VTOALLHYQDPUCJ-GXDHUFHOSA-N	-1	0	387.258	4.121	40	10		GICBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000408990987	570689576	/nfs/dbraw/zinc/68/95/76/570689576.db2.gz	YPEXNRAIDPGCCB-DHDCSXOGSA-N	-1	0	389.238	4.222	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)C2=O)cc1	ZINC000409012767	570694058	/nfs/dbraw/zinc/69/40/58/570694058.db2.gz	KMSFIGABQDOJDL-LDADJPATSA-N	-1	0	390.370	4.061	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)cc1	ZINC000054360790	209113779	/nfs/dbraw/zinc/11/37/79/209113779.db2.gz	OITIMUUXEOUGLE-BOPFTXTBSA-N	-1	0	392.461	4.339	40	10		GICBRM
COc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000016692925	207077468	/nfs/dbraw/zinc/07/74/68/207077468.db2.gz	IVPWEOHNNCSLNQ-KTZOAPACSA-N	-1	0	399.493	4.112	40	10		GICBRM
COc1cc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	ZINC000408736526	533122607	/nfs/dbraw/zinc/12/26/07/533122607.db2.gz	XJZOBLWXTOWBCW-SIFCLUCFSA-N	-1	0	381.428	4.237	40	10		GICBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O	ZINC000408819657	534146894	/nfs/dbraw/zinc/14/68/94/534146894.db2.gz	ZYCIPPNFXFWVQU-LICLKQGHSA-N	-1	0	398.846	4.102	40	10		GICBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2Cl)C1=O	ZINC000409001836	534455724	/nfs/dbraw/zinc/45/57/24/534455724.db2.gz	WXMHDMGBVPXKEP-VQHVLOKHSA-N	-1	0	381.240	4.030	40	10		GICBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000409372854	534785499	/nfs/dbraw/zinc/78/54/99/534785499.db2.gz	NHYOKHVPIKGUTC-FYJGNVAPSA-N	-1	0	396.402	4.248	40	10		GICBRM
CC(=Nc1ccccn1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000103920617	527540284	/nfs/dbraw/zinc/54/02/84/527540284.db2.gz	VPLAZSLKLAXTDP-HKWRFOASSA-N	-1	0	399.410	4.127	40	10		GICBRM
CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1	ZINC000408868926	528288993	/nfs/dbraw/zinc/28/89/93/528288993.db2.gz	PZDALEKQQLCGPU-LICLKQGHSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1	ZINC000408818594	528641581	/nfs/dbraw/zinc/64/15/81/528641581.db2.gz	XKIKCFVQNLUCRS-FOWTUZBSSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2[O-])SC1=S	ZINC000408725155	528943309	/nfs/dbraw/zinc/94/33/09/528943309.db2.gz	JOCWIYXNKHLWKI-WTKPLQERSA-N	-1	0	378.700	4.029	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1	ZINC000012032578	570599952	/nfs/dbraw/zinc/59/99/52/570599952.db2.gz	ZBIUKUBIIUMXRL-ZROIWOOFSA-N	-1	0	375.858	4.444	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1F	ZINC000059198183	570651665	/nfs/dbraw/zinc/65/16/65/570651665.db2.gz	RGOWBJRLJCRZCJ-UKTHLTGXSA-N	-1	0	389.180	4.095	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc(F)c1	ZINC000059198184	570651680	/nfs/dbraw/zinc/65/16/80/570651680.db2.gz	NNJCVSUOPDKPRH-NTEUORMPSA-N	-1	0	389.180	4.095	40	10		GICBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O	ZINC000005947680	570736759	/nfs/dbraw/zinc/73/67/59/570736759.db2.gz	HQUPIUWUXYBMBI-CXUHLZMHSA-N	-1	0	385.851	4.378	40	10		GICBRM
CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000013548899	570851862	/nfs/dbraw/zinc/85/18/62/570851862.db2.gz	XLKIBDYTLORBMH-UYRXBGFRSA-N	-1	0	392.842	4.353	40	10		GICBRM
CCc1ccccc1N1C(=O)C(=Cc2cc(C)c(O)c(C)c2)C(=O)[N-]C1=S	ZINC000038173097	821094537	/nfs/dbraw/zinc/09/45/37/821094537.db2.gz	BNUXFDQHNIAZQE-LFIBNONCSA-N	-1	0	380.469	4.243	40	10		GICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000059426639	230944540	/nfs/dbraw/zinc/94/45/40/230944540.db2.gz	KNJUYVXJVRVNOV-RIYZIHGNSA-N	-1	0	389.238	4.277	40	10		GICBRM
COc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	ZINC000408837984	231119795	/nfs/dbraw/zinc/11/97/95/231119795.db2.gz	QBQBETHMXSUFAR-SIFCLUCFSA-N	-1	0	380.400	4.437	40	10		GICBRM
C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)[O-])[C@H]2C(=O)Nc1ccc(/N=N\c2ccccc2)cc1	ZINC000409377034	231197369	/nfs/dbraw/zinc/19/73/69/231197369.db2.gz	FKUXOZIERMKEPF-OAQWGNHMSA-N	-1	0	377.400	4.085	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1O	ZINC000005374188	206609291	/nfs/dbraw/zinc/60/92/91/206609291.db2.gz	UOEQGWLAQNLCIM-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1	ZINC000408903044	231126773	/nfs/dbraw/zinc/12/67/73/231126773.db2.gz	OJNBBFOBUANEFE-LDADJPATSA-N	-1	0	399.381	4.127	40	10		GICBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	ZINC000005374192	209590718	/nfs/dbraw/zinc/59/07/18/209590718.db2.gz	VCBXBURSGYHKAN-CHPNCVJKSA-N	-1	0	376.286	4.058	40	10		GICBRM
O=C([O-])c1cc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)ccc1O	ZINC000004745765	209521782	/nfs/dbraw/zinc/52/17/82/209521782.db2.gz	QKBAUZPLMRPXIK-QSJINSDNSA-N	-1	0	383.450	4.052	40	10		GICBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000102570471	212072016	/nfs/dbraw/zinc/07/20/16/212072016.db2.gz	RSTSPQARZLWBCP-SFQUDFHCSA-N	-1	0	389.367	4.367	40	10		GICBRM
O=C([O-])CN1C(=O)/C(=C/c2c3ccccc3[nH]c2-c2ccccc2)SC1=S	ZINC000024102699	570378814	/nfs/dbraw/zinc/37/88/14/570378814.db2.gz	PXZJVZSIPANTSC-YBEGLDIGSA-N	-1	0	394.477	4.121	40	10		GICBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)c1	ZINC000059104980	570649749	/nfs/dbraw/zinc/64/97/49/570649749.db2.gz	GPJUZNKZXKRBRA-RGEXLXHISA-N	-1	0	389.455	4.410	40	10		GICBRM
Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21	ZINC000002426633	570720221	/nfs/dbraw/zinc/72/02/21/570720221.db2.gz	AQIOIKMQRBUQNP-LICLKQGHSA-N	-1	0	394.477	4.282	40	10		GICBRM
CCOc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)cc1	ZINC000038172390	821094459	/nfs/dbraw/zinc/09/44/59/821094459.db2.gz	JYMIXXXWTNINHW-GZTJUZNOSA-N	-1	0	396.468	4.079	40	10		GICBRM
Cc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)cc1C	ZINC000038188246	821094675	/nfs/dbraw/zinc/09/46/75/821094675.db2.gz	UHAQOCCCFIDCJN-LICLKQGHSA-N	-1	0	380.469	4.297	40	10		GICBRM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cc([N+](=O)[O-])ccc3C)c2=O)cc1	ZINC000112120522	534021314	/nfs/dbraw/zinc/02/13/14/534021314.db2.gz	IUUJNHQCGVGDFA-UYRXBGFRSA-N	-1	0	380.404	4.020	40	10		GICBRM
O=C([O-])Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21	ZINC000408900990	534509370	/nfs/dbraw/zinc/50/93/70/534509370.db2.gz	BGJMSEBTMVXBFE-LICLKQGHSA-N	-1	0	394.477	4.132	40	10		GICBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000409099710	528471307	/nfs/dbraw/zinc/47/13/07/528471307.db2.gz	SHZJCWNNLPHILL-GZTJUZNOSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	ZINC000408799259	528641558	/nfs/dbraw/zinc/64/15/58/528641558.db2.gz	KAUZTVGRSLKYPB-GZTJUZNOSA-N	-1	0	398.846	4.104	40	10		GICBRM
COc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000005371329	570435536	/nfs/dbraw/zinc/43/55/36/570435536.db2.gz	QZDZVZGITXZCIC-SXGWCWSVSA-N	-1	0	385.466	4.108	40	10		GICBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374333	570436001	/nfs/dbraw/zinc/43/60/01/570436001.db2.gz	ZGBJEPYGRLQJMX-UZYWNZJBSA-N	-1	0	387.885	4.180	40	10		GICBRM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)ccc1O	ZINC000005373368	570436003	/nfs/dbraw/zinc/43/60/03/570436003.db2.gz	AGJSSUVVDYZHGB-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
Cc1sc2c(c1C)C(=O)N[C@H](c1cc(Br)cc(Cl)c1[O-])N2	ZINC000001106643	209301033	/nfs/dbraw/zinc/30/10/33/209301033.db2.gz	ZSJRZZXTEQTODE-LBPRGKRZSA-N	-1	0	387.686	4.341	40	10		GICBRM
CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408802805	528692974	/nfs/dbraw/zinc/69/29/74/528692974.db2.gz	HRCRBQMIOMVGDP-SFQUDFHCSA-N	-1	0	398.846	4.104	40	10		GICBRM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000004425553	570374733	/nfs/dbraw/zinc/37/47/33/570374733.db2.gz	UREWGGZALVYKNF-LTBFUDJGSA-N	-1	0	389.885	4.367	40	10		GICBRM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000004745770	570401873	/nfs/dbraw/zinc/40/18/73/570401873.db2.gz	WJEOIZSCXHGOFO-YZXVBUGESA-N	-1	0	397.477	4.443	40	10		GICBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000005371542	570435451	/nfs/dbraw/zinc/43/54/51/570435451.db2.gz	ZTHFODWBNFASJI-HEUOVEHFSA-N	-1	0	388.514	4.023	40	10		GICBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000005371544	570435480	/nfs/dbraw/zinc/43/54/80/570435480.db2.gz	ZTHFODWBNFASJI-CCAPLTMGSA-N	-1	0	388.514	4.023	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000005373536	570435970	/nfs/dbraw/zinc/43/59/70/570435970.db2.gz	NHHZGNMLBWGCSG-SXGWCWSVSA-N	-1	0	385.466	4.059	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373541	570436042	/nfs/dbraw/zinc/43/60/42/570436042.db2.gz	FQGHMEIEORSYAX-SXGWCWSVSA-N	-1	0	385.466	4.059	40	10		GICBRM
CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000059138558	570650602	/nfs/dbraw/zinc/65/06/02/570650602.db2.gz	SXSWFXOXIRNHNZ-GHRIWEEISA-N	-1	0	395.484	4.114	40	10		GICBRM
CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000059860772	570660464	/nfs/dbraw/zinc/66/04/64/570660464.db2.gz	XQGPSWNMAWHQFW-FOWTUZBSSA-N	-1	0	394.427	4.299	40	10		GICBRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)cc1	ZINC000038177197	821094856	/nfs/dbraw/zinc/09/48/56/821094856.db2.gz	NXINOCGQHPMQSS-GZTJUZNOSA-N	-1	0	380.469	4.243	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1	ZINC000408740753	231109842	/nfs/dbraw/zinc/10/98/42/231109842.db2.gz	MGXNFMNEMDSZPY-XSFVSMFZSA-N	-1	0	391.471	4.277	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C)cc3C)C2=O)cc1	ZINC000408961175	231135989	/nfs/dbraw/zinc/13/59/89/231135989.db2.gz	BDZQGWYEBWXOJJ-XSFVSMFZSA-N	-1	0	399.450	4.069	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1Cl	ZINC000408989662	231143119	/nfs/dbraw/zinc/14/31/19/231143119.db2.gz	UXJOHPMGEPZZQI-WQLSENKSSA-N	-1	0	393.201	4.107	40	10		GICBRM
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000409017208	231146461	/nfs/dbraw/zinc/14/64/61/231146461.db2.gz	LJQPXDVLFHJJGB-LICLKQGHSA-N	-1	0	384.457	4.237	40	10		GICBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)s2)C1=O	ZINC000409251391	231187249	/nfs/dbraw/zinc/18/72/49/231187249.db2.gz	PWMYTVVBFCYVIA-JXMROGBWSA-N	-1	0	381.240	4.030	40	10		GICBRM
COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000016692928	210195824	/nfs/dbraw/zinc/19/58/24/210195824.db2.gz	IVPWEOHNNCSLNQ-PCJMVEANSA-N	-1	0	399.493	4.112	40	10		GICBRM
COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C(=O)[O-])c2)C1=O	ZINC000005373582	209590723	/nfs/dbraw/zinc/59/07/23/209590723.db2.gz	KBBMTYYEWNXNSV-SXGWCWSVSA-N	-1	0	385.466	4.108	40	10		GICBRM
COc1cc(-n2[n-]c(C)c(C=Nc3cc(Cl)ccc3O)c2=O)ccc1Cl	ZINC000408530773	532960936	/nfs/dbraw/zinc/96/09/36/532960936.db2.gz	JOELHCGBNDBMEQ-LCYFTJDESA-N	-1	0	392.242	4.426	40	10		GICBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000408996764	534456447	/nfs/dbraw/zinc/45/64/47/534456447.db2.gz	NCBITONPKCKMHO-JXMROGBWSA-N	-1	0	381.240	4.030	40	10		GICBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C1=O	ZINC000409014419	534821308	/nfs/dbraw/zinc/82/13/08/534821308.db2.gz	POIZAFHCAWPEPO-SFQUDFHCSA-N	-1	0	390.370	4.061	40	10		GICBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC	ZINC000112119913	528066732	/nfs/dbraw/zinc/06/67/32/528066732.db2.gz	ZQADSIGSBYDOIV-HKWRFOASSA-N	-1	0	377.444	4.362	40	10		GICBRM
CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000409084010	528953684	/nfs/dbraw/zinc/95/36/84/528953684.db2.gz	WQFLKVBDAZJVBZ-ZSOIEALJSA-N	-1	0	377.805	4.354	40	10		GICBRM
Cc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1	ZINC000408761197	570470765	/nfs/dbraw/zinc/47/07/65/570470765.db2.gz	CHUCMBPKFTUAAX-KGENOOAVSA-N	-1	0	398.418	4.233	40	10		GICBRM
COc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccccc2)cc1	ZINC000408762160	570471233	/nfs/dbraw/zinc/47/12/33/570471233.db2.gz	JNCMKTVXGHZMND-RCCKNPSSSA-N	-1	0	398.418	4.228	40	10		GICBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)c1	ZINC000059104449	570649777	/nfs/dbraw/zinc/64/97/77/570649777.db2.gz	VXVFZYNLWBXPPS-SFQUDFHCSA-N	-1	0	394.427	4.299	40	10		GICBRM
O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004718526	817533950	/nfs/dbraw/zinc/53/39/50/817533950.db2.gz	PJWMSJZDTARCKR-AHIWAGSCSA-N	-1	0	381.344	4.028	40	10		GICBRM
Cc1cccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)c1C	ZINC000038182423	821094834	/nfs/dbraw/zinc/09/48/34/821094834.db2.gz	HKXVQKMBGHWOAF-MHWRWJLKSA-N	-1	0	380.469	4.297	40	10		GICBRM
Cc1cccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)c1	ZINC000408753994	231112082	/nfs/dbraw/zinc/11/20/82/231112082.db2.gz	IFHALUQXVNPYOX-KGENOOAVSA-N	-1	0	398.418	4.233	40	10		GICBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O	ZINC000408799634	231115374	/nfs/dbraw/zinc/11/53/74/231115374.db2.gz	HEIWJPOXICHBPT-LFIBNONCSA-N	-1	0	398.846	4.102	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000012032582	209901289	/nfs/dbraw/zinc/90/12/89/209901289.db2.gz	HIKXXRMIYBENDB-WBILKINKSA-N	-1	0	383.494	4.276	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1C	ZINC000059104852	136155650	/nfs/dbraw/zinc/15/56/50/136155650.db2.gz	XNPOHOYZTGZBJV-ZHZULCJRSA-N	-1	0	389.455	4.410	40	10		GICBRM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409242141	529191749	/nfs/dbraw/zinc/19/17/49/529191749.db2.gz	MQMBFJHXJCUCDV-VUODPORTSA-N	-1	0	394.496	4.004	40	10		GICBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000004745788	570401882	/nfs/dbraw/zinc/40/18/82/570401882.db2.gz	XNEFXZSXXIATMM-WJLHWTDCSA-N	-1	0	381.906	4.120	40	10		GICBRM
CCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000005372277	570435729	/nfs/dbraw/zinc/43/57/29/570435729.db2.gz	RZSFYAYSEALBJK-YVLHZVERSA-N	-1	0	399.493	4.498	40	10		GICBRM
COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373377	570436020	/nfs/dbraw/zinc/43/60/20/570436020.db2.gz	IWEHWFZYUQDNHV-SXGWCWSVSA-N	-1	0	385.466	4.108	40	10		GICBRM
COc1ccccc1N=Cc1c(C)[n-]n(-c2ccc(Br)cc2)c1=O	ZINC000005433570	570662421	/nfs/dbraw/zinc/66/24/21/570662421.db2.gz	UHRRVFPLEHMKQE-PTNGSMBKSA-N	-1	0	386.249	4.176	40	10		GICBRM
Cc1ccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)c(C)c1	ZINC000038171002	821094698	/nfs/dbraw/zinc/09/46/98/821094698.db2.gz	XSSGAJFTPPDDDZ-MHWRWJLKSA-N	-1	0	380.469	4.297	40	10		GICBRM
CCc1ccc(N2C(=O)/C(=C/c3c(C)cc(C)cc3C)C(=O)[N-]C2=S)cc1	ZINC000409376391	529662533	/nfs/dbraw/zinc/66/25/33/529662533.db2.gz	XVAMENSVMMJRRC-XDHOZWIPSA-N	-1	0	378.497	4.006	40	10		GICBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCC2)cc1	ZINC000004106740	136196729	/nfs/dbraw/zinc/19/67/29/136196729.db2.gz	UFDHMUBFIDMWSN-DTQAZKPQSA-N	-1	0	395.459	4.098	40	10		GICBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000004425597	570374685	/nfs/dbraw/zinc/37/46/85/570374685.db2.gz	WXBPHVRHBYPNJB-TXQCQQFXSA-N	-1	0	399.493	4.112	40	10		GICBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)c(Cl)c2)C1=O	ZINC000006479395	570743582	/nfs/dbraw/zinc/74/35/82/570743582.db2.gz	XYCCDFBSHNHZPT-XNTDXEJSSA-N	-1	0	398.846	4.102	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1Cl	ZINC000408989284	231142917	/nfs/dbraw/zinc/14/29/17/231142917.db2.gz	UBUGUKIWFABZCF-YVLHZVERSA-N	-1	0	398.846	4.102	40	10		GICBRM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S	ZINC000008202302	211592368	/nfs/dbraw/zinc/59/23/68/211592368.db2.gz	SQXQQDPJICIETD-PQVJKVHKSA-N	-1	0	393.555	4.040	40	10		GICBRM
COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2)cc1	ZINC000408753682	533994021	/nfs/dbraw/zinc/99/40/21/533994021.db2.gz	HEYPHQGHBOSYGP-RCCKNPSSSA-N	-1	0	398.418	4.228	40	10		GICBRM
Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000408967989	534240063	/nfs/dbraw/zinc/24/00/63/534240063.db2.gz	YJRWTXDZIFKMNG-KGENOOAVSA-N	-1	0	399.450	4.069	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1	ZINC000408872546	534784627	/nfs/dbraw/zinc/78/46/27/534784627.db2.gz	GCXXZRFSNMJEKK-KPKJPENVSA-N	-1	0	395.629	4.313	40	10		GICBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1	ZINC000409214426	534789981	/nfs/dbraw/zinc/78/99/81/534789981.db2.gz	XKYKQAFOPLLQTC-VBKFSLOCSA-N	-1	0	398.340	4.427	40	10		GICBRM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	ZINC000059135268	528367726	/nfs/dbraw/zinc/36/77/26/528367726.db2.gz	XZRALLYGEQMUPB-LFIBNONCSA-N	-1	0	398.390	4.130	40	10		GICBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408814634	528768069	/nfs/dbraw/zinc/76/80/69/528768069.db2.gz	ZMPNQNGKBUTTSF-LFIBNONCSA-N	-1	0	398.846	4.104	40	10		GICBRM
CC(=O)Nc1ccc(/N=N\c2ccc(N)c3cc(S(=O)(=O)[O-])ccc23)cc1	ZINC000104366823	570301962	/nfs/dbraw/zinc/30/19/62/570301962.db2.gz	VXEIJMQIXOIRFD-DQRAZIAOSA-N	-1	0	384.417	4.043	40	10		GICBRM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000004745786	570401668	/nfs/dbraw/zinc/40/16/68/570401668.db2.gz	XNEFXZSXXIATMM-IBFAPSIOSA-N	-1	0	381.906	4.120	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C)c1	ZINC000408759906	570469697	/nfs/dbraw/zinc/46/96/97/570469697.db2.gz	NTALNTJWFCZTLE-KGENOOAVSA-N	-1	0	399.450	4.069	40	10		GICBRM
O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N1	ZINC000058823031	570648640	/nfs/dbraw/zinc/64/86/40/570648640.db2.gz	VFDXGIDSGZDSGP-UHFFFAOYSA-N	-1	0	391.210	4.162	40	10		GICBRM
Cc1ccccc1N1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)[N-]C1=S	ZINC000059138124	570650668	/nfs/dbraw/zinc/65/06/68/570650668.db2.gz	ATHORYQAKMNVNV-DTQAZKPQSA-N	-1	0	395.484	4.250	40	10		GICBRM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CC(=O)[O-])c2ccccc12	ZINC000102803724	570721134	/nfs/dbraw/zinc/72/11/34/570721134.db2.gz	FBCUKHDTFTZORK-GIJQJNRQSA-N	-1	0	393.830	4.185	40	10		GICBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	ZINC000005947722	570736838	/nfs/dbraw/zinc/73/68/38/570736838.db2.gz	NOKBXBMIMGUFFS-XNTDXEJSSA-N	-1	0	385.851	4.378	40	10		GICBRM
CCOc1cccc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)c1	ZINC000038180535	821094627	/nfs/dbraw/zinc/09/46/27/821094627.db2.gz	DGBSIHMPMNSAEE-LICLKQGHSA-N	-1	0	396.468	4.079	40	10		GICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)c1	ZINC000408897323	231126106	/nfs/dbraw/zinc/12/61/06/231126106.db2.gz	IVYMXMBDYYJBBJ-CPNJWEJPSA-N	-1	0	376.456	4.267	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl	ZINC000408740301	231109242	/nfs/dbraw/zinc/10/92/42/231109242.db2.gz	JWMJPYCHAUIEIM-GHXNOFRVSA-N	-1	0	395.629	4.313	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1Cl	ZINC000408986559	231142136	/nfs/dbraw/zinc/14/21/36/231142136.db2.gz	MYZDSHKJWCPCGN-YVLHZVERSA-N	-1	0	382.847	4.438	40	10		GICBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)[N-]C2=S)cc1Cl	ZINC000409242181	231186387	/nfs/dbraw/zinc/18/63/87/231186387.db2.gz	NIEAHNARXOZTPY-YRNVUSSQSA-N	-1	0	397.308	4.195	40	10		GICBRM
Cc1sc2c(c1C)C(=O)N[C@@H](c1cc(Br)cc(Cl)c1[O-])N2	ZINC000001106642	209300571	/nfs/dbraw/zinc/30/05/71/209300571.db2.gz	ZSJRZZXTEQTODE-GFCCVEGCSA-N	-1	0	387.686	4.341	40	10		GICBRM
Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1	ZINC000408967826	534568920	/nfs/dbraw/zinc/56/89/20/534568920.db2.gz	XLOIQEBVJZRYHG-KGENOOAVSA-N	-1	0	399.450	4.069	40	10		GICBRM
CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408781399	528142756	/nfs/dbraw/zinc/14/27/56/528142756.db2.gz	SBFAGEHTJNHHEN-WOJGMQOQSA-N	-1	0	398.846	4.041	40	10		GICBRM
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)cc1	ZINC000005373675	570435986	/nfs/dbraw/zinc/43/59/86/570435986.db2.gz	BZXUDGHTSAEIFR-YVLHZVERSA-N	-1	0	399.493	4.498	40	10		GICBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1O	ZINC000005373404	570436038	/nfs/dbraw/zinc/43/60/38/570436038.db2.gz	CFMPKQVNTIIUEH-AUWJEWJLSA-N	-1	0	391.857	4.150	40	10		GICBRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OC(C)C	ZINC000059135066	570650133	/nfs/dbraw/zinc/65/01/33/570650133.db2.gz	FPDAZEAFUOJCGV-MHWRWJLKSA-N	-1	0	398.390	4.128	40	10		GICBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1	ZINC000059138022	570650772	/nfs/dbraw/zinc/65/07/72/570650772.db2.gz	WVNJAHNGKIKOOQ-QGOAFFKASA-N	-1	0	393.443	4.393	40	10		GICBRM
CCN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S	ZINC000001184502	570713309	/nfs/dbraw/zinc/71/33/09/570713309.db2.gz	IQBPQFIKVVGSIM-LDADJPATSA-N	-1	0	389.480	4.177	40	10		GICBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000005749819	570734956	/nfs/dbraw/zinc/73/49/56/570734956.db2.gz	XDPMTIRXIXEQLR-GZTJUZNOSA-N	-1	0	382.778	4.201	40	10		GICBRM
C=CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000033370916	821055628	/nfs/dbraw/zinc/05/56/28/821055628.db2.gz	LZWROJXAUMMHKA-ZROIWOOFSA-N	-1	0	389.238	4.020	40	10		GICBRM
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409255451	529387179	/nfs/dbraw/zinc/38/71/79/529387179.db2.gz	ZWFJWSKAVLXUOW-OVGFGYAMSA-N	-1	0	394.496	4.004	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)c(Cl)c3)C2=O)cc1	ZINC000408803528	231116062	/nfs/dbraw/zinc/11/60/62/231116062.db2.gz	QDAYPSQAWUPUEI-MHWRWJLKSA-N	-1	0	398.846	4.102	40	10		GICBRM
Cc1cc(C)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1	ZINC000408984363	231142556	/nfs/dbraw/zinc/14/25/56/231142556.db2.gz	QDFOAJFGNZEJER-YVLHZVERSA-N	-1	0	382.847	4.240	40	10		GICBRM
COC(=O)COc1cccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408869492	533570949	/nfs/dbraw/zinc/57/09/49/533570949.db2.gz	RVQMJTSRSBIZJA-FGSXEWAUSA-N	-1	0	393.439	4.072	40	10		GICBRM
CC(=C\c1ccccc1)/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000408982295	526387264	/nfs/dbraw/zinc/38/72/64/526387264.db2.gz	GIYJWVVTJOKHFC-NEOBQEPSSA-N	-1	0	380.831	4.261	40	10		GICBRM
CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000408895274	526760888	/nfs/dbraw/zinc/76/08/88/526760888.db2.gz	DLRVPSJVOBKITK-SFQUDFHCSA-N	-1	0	382.847	4.304	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Cl	ZINC000408799847	528641263	/nfs/dbraw/zinc/64/12/63/528641263.db2.gz	IKOSSWIFTJBVJA-RVDMUPIBSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)SC1=S	ZINC000409350406	528943477	/nfs/dbraw/zinc/94/34/77/528943477.db2.gz	RJIGNEBFDWUUNK-YBEGLDIGSA-N	-1	0	386.498	4.013	40	10		GICBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2c[nH]c3ccccc23)S1	ZINC000020226931	570249124	/nfs/dbraw/zinc/24/91/24/570249124.db2.gz	GLGKXIAGVIZVDV-RQZCQDPDSA-N	-1	0	377.425	4.257	40	10		GICBRM
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2cc(Cl)ccc2Cl)c1=O	ZINC000408757887	570549165	/nfs/dbraw/zinc/54/91/65/570549165.db2.gz	RPDYNHBMNYBIHJ-MDWZMJQESA-N	-1	0	378.263	4.062	40	10		GICBRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1OC	ZINC000059861427	570660453	/nfs/dbraw/zinc/66/04/53/570660453.db2.gz	ZXJVFZGJLUOOEB-LFIBNONCSA-N	-1	0	394.427	4.217	40	10		GICBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO1	ZINC000014153013	570877747	/nfs/dbraw/zinc/87/77/47/570877747.db2.gz	DJRCYTZVPLLSMA-INIZCTEOSA-N	-1	0	378.266	4.114	40	10		GICBRM
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000059138549	230941596	/nfs/dbraw/zinc/94/15/96/230941596.db2.gz	MQXCCPHIPVLFDU-FOWTUZBSSA-N	-1	0	395.484	4.168	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	ZINC000408899732	231126313	/nfs/dbraw/zinc/12/63/13/231126313.db2.gz	QCJPARMCGDYAKX-NTEUORMPSA-N	-1	0	394.736	4.025	40	10		GICBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1C1CCCC1	ZINC000408784910	231113928	/nfs/dbraw/zinc/11/39/28/231113928.db2.gz	DEBMFWRZCUDJIA-CPNJWEJPSA-N	-1	0	391.471	4.195	40	10		GICBRM
O=C([O-])c1cccc(-c2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)o2)c1	ZINC000409079811	231156361	/nfs/dbraw/zinc/15/63/61/231156361.db2.gz	MCYGAUIIZYRMMC-ATVHPVEESA-N	-1	0	396.468	4.035	40	10		GICBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O	ZINC000409240366	231185851	/nfs/dbraw/zinc/18/58/51/231185851.db2.gz	GWCAQYSFBVKYLL-QGOAFFKASA-N	-1	0	394.496	4.040	40	10		GICBRM
COc1cccc(C=C2C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)c1O	ZINC000008210679	221031795	/nfs/dbraw/zinc/03/17/95/221031795.db2.gz	JPJOMYYXDDSUJY-YRNVUSSQSA-N	-1	0	379.199	4.009	40	10		GICBRM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000016160719	221358730	/nfs/dbraw/zinc/35/87/30/221358730.db2.gz	WOPVIQNBXTUMSL-DHDCSXOGSA-N	-1	0	390.226	4.410	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)cc1	ZINC000059105142	136155621	/nfs/dbraw/zinc/15/56/21/136155621.db2.gz	YFFGSWXBTKQLTD-RGEXLXHISA-N	-1	0	389.455	4.410	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl	ZINC000408819488	528368994	/nfs/dbraw/zinc/36/89/94/528368994.db2.gz	XJZFKXCBAMZONS-XNTDXEJSSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408815254	528471108	/nfs/dbraw/zinc/47/11/08/528471108.db2.gz	PUKYKSYAHMIEDA-GZTJUZNOSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1	ZINC000408938787	528731414	/nfs/dbraw/zinc/73/14/14/528731414.db2.gz	RPDFIMKOVBTVIJ-VBKFSLOCSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000001162512	570252090	/nfs/dbraw/zinc/25/20/90/570252090.db2.gz	AGXURPNNQHNVBA-NTEUORMPSA-N	-1	0	389.238	4.222	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4)cc3)C2=O)cc1	ZINC000408900123	231126128	/nfs/dbraw/zinc/12/61/28/231126128.db2.gz	RQPIEURPLYPRMK-RCCKNPSSSA-N	-1	0	382.419	4.328	40	10		GICBRM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)[N-]C1=S	ZINC000409107956	231162507	/nfs/dbraw/zinc/16/25/07/231162507.db2.gz	YVOUGYSPRHBRDU-JXMROGBWSA-N	-1	0	397.308	4.195	40	10		GICBRM
O=C(NCc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21)c1ccccc1	ZINC000032501409	212160600	/nfs/dbraw/zinc/16/06/00/212160600.db2.gz	CUJSWFXRYCQROA-UHFFFAOYSA-N	-1	0	389.382	4.235	40	10		GICBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	ZINC000005372212	220863692	/nfs/dbraw/zinc/86/36/92/220863692.db2.gz	JMYDSNHVYLNASH-MVKCEROBSA-N	-1	0	375.515	4.478	40	10		GICBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc4ccccc4n3)SC2=S)c1	ZINC000054360830	222013872	/nfs/dbraw/zinc/01/38/72/222013872.db2.gz	AWFPYCSGLJVKLW-BOPFTXTBSA-N	-1	0	392.461	4.339	40	10		GICBRM
O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000409194800	534784843	/nfs/dbraw/zinc/78/48/43/534784843.db2.gz	MPJJKPOETOZGLT-WJDWOHSUSA-N	-1	0	384.819	4.004	40	10		GICBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2OC(C)C)C1=O	ZINC000408807980	534821046	/nfs/dbraw/zinc/82/10/46/534821046.db2.gz	PLWCTASUUPBRNA-LFIBNONCSA-N	-1	0	398.846	4.102	40	10		GICBRM
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409255452	529197463	/nfs/dbraw/zinc/19/74/63/529197463.db2.gz	ZWFJWSKAVLXUOW-XOAFGZPJSA-N	-1	0	394.496	4.004	40	10		GICBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	ZINC000005374337	570435952	/nfs/dbraw/zinc/43/59/52/570435952.db2.gz	ZGBJEPYGRLQJMX-PFIVJWCNSA-N	-1	0	387.885	4.180	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000005373531	570435977	/nfs/dbraw/zinc/43/59/77/570435977.db2.gz	OXUCVRLBKMPSJX-XIDKLXSXSA-N	-1	0	397.521	4.146	40	10		GICBRM
CC(C)Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000059135955	570650255	/nfs/dbraw/zinc/65/02/55/570650255.db2.gz	JIIMALXZHGTUKI-RVDMUPIBSA-N	-1	0	384.432	4.285	40	10		GICBRM
O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000006472444	817696818	/nfs/dbraw/zinc/69/68/18/817696818.db2.gz	URLDMEJSAFBRBL-ZSOIEALJSA-N	-1	0	375.793	4.036	40	10		GICBRM
Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1Cl	ZINC000033709373	821059145	/nfs/dbraw/zinc/05/91/45/821059145.db2.gz	AAVKHOKPYOUKQQ-ATVHPVEESA-N	-1	0	378.815	4.370	40	10		GICBRM
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1	ZINC000113836694	231022344	/nfs/dbraw/zinc/02/23/44/231022344.db2.gz	IBJRIWIKXDQIEJ-MDWZMJQESA-N	-1	0	391.495	4.025	40	10		GICBRM
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000408818153	231118352	/nfs/dbraw/zinc/11/83/52/231118352.db2.gz	ZLQULHFHDRGLSP-CHHVJCJISA-N	-1	0	390.848	4.112	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)(C)C)cc3)C2=O)cc1C	ZINC000408849809	231121428	/nfs/dbraw/zinc/12/14/28/231121428.db2.gz	ZFZAQDKWOVECPZ-CPNJWEJPSA-N	-1	0	376.456	4.267	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)(C)C	ZINC000408967317	231138002	/nfs/dbraw/zinc/13/80/02/231138002.db2.gz	UXAFGESBZPTGON-GZTJUZNOSA-N	-1	0	399.878	4.180	40	10		GICBRM
COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Cl)cn3)c2=O)ccc1Cl	ZINC000408536803	532959929	/nfs/dbraw/zinc/95/99/29/532959929.db2.gz	YFAJIJYIFLQSGV-LCYFTJDESA-N	-1	0	377.231	4.116	40	10		GICBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(C)C)C1=O	ZINC000408807890	534146084	/nfs/dbraw/zinc/14/60/84/534146084.db2.gz	IGZCASGUHWXHKH-MHWRWJLKSA-N	-1	0	398.846	4.102	40	10		GICBRM
CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1	ZINC000408869699	528288939	/nfs/dbraw/zinc/28/89/39/528288939.db2.gz	RDUSNLLXNKGJAY-LICLKQGHSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408810956	528470878	/nfs/dbraw/zinc/47/08/78/528470878.db2.gz	VCOITUKBZNWOIC-LFIBNONCSA-N	-1	0	398.846	4.022	40	10		GICBRM
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408896672	529197456	/nfs/dbraw/zinc/19/74/56/529197456.db2.gz	HCWPBERDKHKQGU-HUCUOGIVSA-N	-1	0	392.455	4.147	40	10		GICBRM
COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)[O-])c3)C2=O)c1	ZINC000005373618	570435965	/nfs/dbraw/zinc/43/59/65/570435965.db2.gz	STFWPCPQWLUDJF-SXGWCWSVSA-N	-1	0	385.466	4.108	40	10		GICBRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1	ZINC000223650094	570476730	/nfs/dbraw/zinc/47/67/30/570476730.db2.gz	PWCWETACTMBGPS-UHFFFAOYSA-N	-1	0	383.494	4.440	40	10		GICBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000408993139	570691567	/nfs/dbraw/zinc/69/15/67/570691567.db2.gz	CHZAHWJKVSPXDL-JXMROGBWSA-N	-1	0	397.308	4.195	40	10		GICBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccc(C)cc2)cc1	ZINC000014153055	570877871	/nfs/dbraw/zinc/87/78/71/570877871.db2.gz	YJRREORKGHMSEJ-UHFFFAOYSA-N	-1	0	392.455	4.128	40	10		GICBRM
CCc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1	ZINC000012032581	221145482	/nfs/dbraw/zinc/14/54/82/221145482.db2.gz	HIKXXRMIYBENDB-TXQCQQFXSA-N	-1	0	383.494	4.276	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000409239156	528369207	/nfs/dbraw/zinc/36/92/07/528369207.db2.gz	GRXXXOSBFUYMJA-CPNJWEJPSA-N	-1	0	394.496	4.040	40	10		GICBRM
CCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408797288	528471375	/nfs/dbraw/zinc/47/13/75/528471375.db2.gz	CFXZSZUSFASXDS-LFIBNONCSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000408806204	528692807	/nfs/dbraw/zinc/69/28/07/528692807.db2.gz	AVEJDOIXWBOLNV-FOWTUZBSSA-N	-1	0	398.846	4.104	40	10		GICBRM
Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1	ZINC000059138018	570650729	/nfs/dbraw/zinc/65/07/29/570650729.db2.gz	MHPQQOZZZVRAAS-GHRIWEEISA-N	-1	0	395.484	4.250	40	10		GICBRM
Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1	ZINC000059249493	570652503	/nfs/dbraw/zinc/65/25/03/570652503.db2.gz	TVNMHELPUDZXCG-VIZOYTHASA-N	-1	0	390.848	4.112	40	10		GICBRM
CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC	ZINC000059860885	570660460	/nfs/dbraw/zinc/66/04/60/570660460.db2.gz	VAICBTDTQQHEJD-LFIBNONCSA-N	-1	0	394.427	4.217	40	10		GICBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccc(F)cc2)cc1	ZINC000014153067	570877775	/nfs/dbraw/zinc/87/77/75/570877775.db2.gz	RDBCTOWQOKOOLA-UHFFFAOYSA-N	-1	0	380.419	4.259	40	10		GICBRM
Cc1cc(C)cc(N2C(=O)C(=Cc3cc(C)c(O)c(C)c3)C(=O)[N-]C2=S)c1	ZINC000038177984	821094567	/nfs/dbraw/zinc/09/45/67/821094567.db2.gz	QEHMOBDVVBXDSB-LICLKQGHSA-N	-1	0	380.469	4.297	40	10		GICBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1C1CCCCC1	ZINC000409194548	231177687	/nfs/dbraw/zinc/17/76/87/231177687.db2.gz	MYIXBCHNSCGITO-UYRXBGFRSA-N	-1	0	383.492	4.015	40	10		GICBRM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc2ccccc12	ZINC000001173971	212224819	/nfs/dbraw/zinc/22/48/19/212224819.db2.gz	PNDHZVVLKBBGLP-WQRHYEAKSA-N	-1	0	387.351	4.255	40	10		GICBRM
CCN(CC)c1ccc(NC2=NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000006869750	220973322	/nfs/dbraw/zinc/97/33/22/220973322.db2.gz	ZAGCPVIKIPTHMV-AQTBWJFISA-N	-1	0	395.484	4.313	40	10		GICBRM
CCc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000009694737	221089645	/nfs/dbraw/zinc/08/96/45/221089645.db2.gz	SCDSWQYDFDKBNI-UHFFFAOYSA-N	-1	0	376.456	4.373	40	10		GICBRM
CC(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000016575746	221365310	/nfs/dbraw/zinc/36/53/10/221365310.db2.gz	LYQCJVDHVNUVTM-BOPFTXTBSA-N	-1	0	379.372	4.225	40	10		GICBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl	ZINC000408806743	528369112	/nfs/dbraw/zinc/36/91/12/528369112.db2.gz	BOEXVPMCWDYZPK-XNTDXEJSSA-N	-1	0	398.846	4.022	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Cl	ZINC000408797326	528640841	/nfs/dbraw/zinc/64/08/41/528640841.db2.gz	CJYJMEVAVBBWHQ-LFIBNONCSA-N	-1	0	398.846	4.104	40	10		GICBRM
CCCCCCC1=CC(=NNc2ccc(S(N)(=O)=O)cc2)C(=O)C=C1[O-]	ZINC000104090600	570297514	/nfs/dbraw/zinc/29/75/14/570297514.db2.gz	BZVODXSVYXYGLN-MRCUWXFGSA-N	-1	0	377.466	4.283	40	10		GICBRM
Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c1C	ZINC000059138551	570650672	/nfs/dbraw/zinc/65/06/72/570650672.db2.gz	GAMDQZPPENGJFT-FOWTUZBSSA-N	-1	0	395.484	4.168	40	10		GICBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1C1CCCC1	ZINC000408775382	570682676	/nfs/dbraw/zinc/68/26/76/570682676.db2.gz	GGKNDRCUPOMTSM-SFQUDFHCSA-N	-1	0	395.434	4.026	40	10		GICBRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1C[C@H]1CCCO1	ZINC000014153015	570877868	/nfs/dbraw/zinc/87/78/68/570877868.db2.gz	DJRCYTZVPLLSMA-MRXNPFEDSA-N	-1	0	378.266	4.114	40	10		GICBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2ccc(F)cc2)cc1	ZINC000409379457	533181092	/nfs/dbraw/zinc/18/10/92/533181092.db2.gz	XWFRWTRIFOJFOR-UHFFFAOYSA-N	-1	0	383.419	4.399	40	10		GICBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2c3ccccc3nc3ccccc32)cc1	ZINC000016310188	221361012	/nfs/dbraw/zinc/36/10/12/221361012.db2.gz	BQCVUWISHKVLNP-UHFFFAOYSA-N	-1	0	391.452	4.207	40	10		GICBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	ZINC000408797245	528640623	/nfs/dbraw/zinc/64/06/23/528640623.db2.gz	CAGHCPMTCRAPRM-GZTJUZNOSA-N	-1	0	398.846	4.104	40	10		GICBRM
CC(=C\c1ccccc1)/C=C1\SC(=S)N(c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000004745772	570401757	/nfs/dbraw/zinc/40/17/57/570401757.db2.gz	YJCMPCLQZMCHGD-YZXVBUGESA-N	-1	0	397.477	4.443	40	10		GICBRM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)c1	ZINC000059105140	570649768	/nfs/dbraw/zinc/64/97/68/570649768.db2.gz	ZWSGLNJLURRSPZ-RVDMUPIBSA-N	-1	0	398.390	4.130	40	10		GICBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(N2CCCC2)o1	ZINC000059138523	570650746	/nfs/dbraw/zinc/65/07/46/570650746.db2.gz	BMYCJTSUKNTDTO-RVDMUPIBSA-N	-1	0	385.807	4.040	40	10		GICBRM
COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000059106169	570653375	/nfs/dbraw/zinc/65/33/75/570653375.db2.gz	KVGAOHORXJVXFL-PDGQHHTCSA-N	-1	0	390.370	4.494	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1	ZINC000059336658	570655099	/nfs/dbraw/zinc/65/50/99/570655099.db2.gz	PCRPSSOFNUPNLN-XSFVSMFZSA-N	-1	0	386.382	4.159	40	10		GICBRM
CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(Cl)c(C(=O)[O-])c1	ZINC000016284815	570920623	/nfs/dbraw/zinc/92/06/23/570920623.db2.gz	DVTNIUITICWUIC-YBEGLDIGSA-N	-1	0	383.835	4.374	40	10		GICBRM
CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)SC1=S	ZINC000006654813	817716236	/nfs/dbraw/zinc/71/62/36/817716236.db2.gz	MNOKRUIHXXIOIH-BOPFTXTBSA-N	-1	0	399.493	4.185	40	10		GICBRM
CC(C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000033706551	821059058	/nfs/dbraw/zinc/05/90/58/821059058.db2.gz	HFYRZZSLABJZRY-ZSOIEALJSA-N	-1	0	391.254	4.242	40	10		GICBRM
CCOc1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000112120583	231021494	/nfs/dbraw/zinc/02/14/94/231021494.db2.gz	HZQXPTBYBGDJFI-UYRXBGFRSA-N	-1	0	380.404	4.102	40	10		GICBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408965742	231137698	/nfs/dbraw/zinc/13/76/98/231137698.db2.gz	LSXLONHAFBJFFY-KGENOOAVSA-N	-1	0	399.450	4.069	40	10		GICBRM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)[N-]C2=S)cc1	ZINC000409231167	528108194	/nfs/dbraw/zinc/10/81/94/528108194.db2.gz	IBPPMZLFLWBOSI-NTEUORMPSA-N	-1	0	390.917	4.356	40	10		GICBRM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000004425555	570374747	/nfs/dbraw/zinc/37/47/47/570374747.db2.gz	UREWGGZALVYKNF-BAAYTWLHSA-N	-1	0	389.885	4.367	40	10		GICBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)ccc1O	ZINC000083327255	570629209	/nfs/dbraw/zinc/62/92/09/570629209.db2.gz	FZMOGNKLGWGHDF-MDWZMJQESA-N	-1	0	377.183	4.206	40	10		GICBRM
CCOc1ccc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc1	ZINC000054164399	570676129	/nfs/dbraw/zinc/67/61/29/570676129.db2.gz	WODAJFUSOURQQH-YVLHZVERSA-N	-1	0	382.441	4.174	40	10		GICBRM
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1C	ZINC000016906407	570915160	/nfs/dbraw/zinc/91/51/60/570915160.db2.gz	MPQOVHNAVNGSMT-LICLKQGHSA-N	-1	0	399.493	4.173	40	10		GICBRM