smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2ccc([O-])c(CN3CCN(CCO)CC3)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000020605087	525966687	/nfs/dbraw/zinc/96/66/87/525966687.db2.gz	FCHWYWVABSFBEA-UHFFFAOYSA-N	-1	1	428.916	3.237	50	10		IGCAMM
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)NC2=S)cc1	ZINC000006645253	536656707	/nfs/dbraw/zinc/65/67/07/536656707.db2.gz	VIRAPZWZFFLCRT-PDGQHHTCSA-N	-1	1	448.456	3.485	50	10		IGCAMM
O=C([O-])CSc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2c1O	ZINC000006142956	562946341	/nfs/dbraw/zinc/94/63/41/562946341.db2.gz	NDBSDAMBGDKOBZ-UHFFFAOYSA-N	-1	1	434.451	3.431	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1c(Cl)cccc1Cl	ZINC000001439581	568804609	/nfs/dbraw/zinc/80/46/09/568804609.db2.gz	SPLMGCCSDHTFKI-UHFFFAOYSA-N	-1	1	437.304	3.495	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1c(C)cccc1C	ZINC000002978010	569433673	/nfs/dbraw/zinc/43/36/73/569433673.db2.gz	WPBAGYLBROLRAO-UHFFFAOYSA-N	-1	1	440.521	3.074	50	10		IGCAMM
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000003252401	569442993	/nfs/dbraw/zinc/44/29/93/569442993.db2.gz	IKMRJJCQUJQAOP-UHFFFAOYSA-N	-1	1	446.532	3.488	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1cc(C)ccc1C	ZINC000022229105	520691950	/nfs/dbraw/zinc/69/19/50/520691950.db2.gz	FFFUCOYTYVBDGR-UHFFFAOYSA-N	-1	1	440.521	3.074	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000012382980	521946047	/nfs/dbraw/zinc/94/60/47/521946047.db2.gz	VHJQUCGLPAEXDL-NVNXTCNLSA-N	-1	1	425.397	3.099	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1	ZINC000001177786	557119976	/nfs/dbraw/zinc/11/99/76/557119976.db2.gz	GIOGOFHGEUEJJH-UHFFFAOYSA-N	-1	1	435.274	3.082	50	10		IGCAMM
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033489204	557401859	/nfs/dbraw/zinc/40/18/59/557401859.db2.gz	LDOVWSPMMVTVHH-DEDYPNTBSA-N	-1	1	444.443	3.434	50	10		IGCAMM
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000000951778	562919737	/nfs/dbraw/zinc/91/97/37/562919737.db2.gz	XCUBUHGHBHQVCH-FUHIMQAGSA-N	-1	1	436.434	3.032	50	10		IGCAMM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c1C	ZINC000012949851	568871783	/nfs/dbraw/zinc/87/17/83/568871783.db2.gz	DKBCHPHGKMWHFW-UHFFFAOYSA-N	-1	1	433.895	3.037	50	10		IGCAMM
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)C(=O)[N-]C1=S	ZINC000009462091	569537219	/nfs/dbraw/zinc/53/72/19/569537219.db2.gz	XLKVECIYEUVCOE-NBVRZTHBSA-N	-1	1	449.532	3.376	50	10		IGCAMM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	ZINC000003772391	555946385	/nfs/dbraw/zinc/94/63/85/555946385.db2.gz	GEJFKTJVNCKWAT-NTEUORMPSA-N	-1	1	439.880	3.211	50	10		IGCAMM
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000006144504	556077888	/nfs/dbraw/zinc/07/78/88/556077888.db2.gz	XCUBUHGHBHQVCH-UWVAXJGDSA-N	-1	1	436.434	3.032	50	10		IGCAMM
Cc1cc(C(=O)CSc2nc(N)cc(=O)[n-]2)c(C)n1-c1ccc(Br)cc1	ZINC000013637730	556541456	/nfs/dbraw/zinc/54/14/56/556541456.db2.gz	RSDZMCFQJCVOLH-UHFFFAOYSA-N	-1	1	433.331	3.497	50	10		IGCAMM
COC(=O)Cc1c(C)c2cc(CNc3ccc(OC)cc3OC)c([O-])c(C)c2oc1=O	ZINC000030769043	556505823	/nfs/dbraw/zinc/50/58/23/556505823.db2.gz	OTGASWRUVBHXCO-UHFFFAOYSA-N	-1	1	427.453	3.460	50	10		IGCAMM
CCc1c(C)c2ccc([O-])c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2oc1=O	ZINC000022938175	556508706	/nfs/dbraw/zinc/50/87/06/556508706.db2.gz	MMYXDTVMBAESJY-UHFFFAOYSA-N	-1	1	436.508	3.416	50	10		IGCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013800587	132354508	/nfs/dbraw/zinc/35/45/08/132354508.db2.gz	CYZGFQFHPFPBCH-ZSOIEALJSA-N	-1	1	446.868	3.484	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000012382981	521961869	/nfs/dbraw/zinc/96/18/69/521961869.db2.gz	VHJQUCGLPAEXDL-OVCLIPMQSA-N	-1	1	425.397	3.099	50	10		IGCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000013546452	535658208	/nfs/dbraw/zinc/65/82/08/535658208.db2.gz	YONQTOOOMNPVSB-CXUHLZMHSA-N	-1	1	439.424	3.489	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1cccc(C)c1	ZINC000013943720	556340994	/nfs/dbraw/zinc/34/09/94/556340994.db2.gz	WSFYFPVZSNQOHE-UHFFFAOYSA-N	-1	1	446.912	3.029	50	10		IGCAMM
COc1cc(Br)c(Br)c(C=C2SC(=S)[N-]C2=O)c1O	ZINC000015015536	556484720	/nfs/dbraw/zinc/48/47/20/556484720.db2.gz	KHYSZMKBBNJCCY-UQCOIBPSSA-N	-1	1	425.123	3.415	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000001206926	557120338	/nfs/dbraw/zinc/12/03/38/557120338.db2.gz	LNYRDFTZDDJYOA-UHFFFAOYSA-N	-1	1	435.274	3.082	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1F	ZINC000001193335	568736765	/nfs/dbraw/zinc/73/67/65/568736765.db2.gz	ANVPLHDOSIGYOV-UHFFFAOYSA-N	-1	1	435.274	3.082	50	10		IGCAMM
O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1	ZINC000009371053	569526931	/nfs/dbraw/zinc/52/69/31/569526931.db2.gz	BPYSPHOCVLMALG-BQUCVHFLSA-N	-1	1	439.585	3.131	50	10		IGCAMM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(-c4ccccc4)[nH]c3=O)C2=O)cc1	ZINC000008769621	132293787	/nfs/dbraw/zinc/29/37/87/132293787.db2.gz	ZCQHCXCDFBJFFX-CPNJWEJPSA-N	-1	1	432.436	3.379	50	10		IGCAMM
CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000002830552	557134006	/nfs/dbraw/zinc/13/40/06/557134006.db2.gz	JHSJVVFLYOZRRN-XSFVSMFZSA-N	-1	1	449.532	3.376	50	10		IGCAMM
COc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCOCC4)c23)c(OC)c1OC	ZINC000604419675	557251984	/nfs/dbraw/zinc/25/19/84/557251984.db2.gz	SVRWFKZJVCUNPP-UHFFFAOYSA-N	-1	1	427.453	3.227	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)C(=O)N1	ZINC000001175933	568735525	/nfs/dbraw/zinc/73/55/25/568735525.db2.gz	WGSIDDCGRRNPGF-UHFFFAOYSA-N	-1	1	437.253	3.051	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)C(=O)N1	ZINC000001175933	568735527	/nfs/dbraw/zinc/73/55/27/568735527.db2.gz	WGSIDDCGRRNPGF-UHFFFAOYSA-N	-1	1	437.253	3.051	50	10		IGCAMM
O=C([O-])c1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1	ZINC000002264612	569216082	/nfs/dbraw/zinc/21/60/82/569216082.db2.gz	CJBBYGLSVYQHCY-FOWTUZBSSA-N	-1	1	435.436	3.146	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	ZINC000002977159	569433667	/nfs/dbraw/zinc/43/36/67/569433667.db2.gz	BKDSRJPXYKQMSY-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	ZINC000002977159	569433668	/nfs/dbraw/zinc/43/36/68/569433668.db2.gz	BKDSRJPXYKQMSY-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)NC2=S)cc1	ZINC000002873516	536657233	/nfs/dbraw/zinc/65/72/33/536657233.db2.gz	VIRAPZWZFFLCRT-LDADJPATSA-N	-1	1	448.456	3.485	50	10		IGCAMM
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009265164	556270623	/nfs/dbraw/zinc/27/06/23/556270623.db2.gz	HCWPJFWOJXXEJQ-ODLFYWEKSA-N	-1	1	433.420	3.047	50	10		IGCAMM
Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000009311449	556279604	/nfs/dbraw/zinc/27/96/04/556279604.db2.gz	VIRHVFDNLXRWPA-UHFFFAOYSA-N	-1	1	431.311	3.251	50	10		IGCAMM
COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)cc1	ZINC000033155151	556878722	/nfs/dbraw/zinc/87/87/22/556878722.db2.gz	PLZLDMPGHCIAIT-LICLKQGHSA-N	-1	1	435.461	3.406	50	10		IGCAMM
O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cccc2nonc21	ZINC000089800252	569164977	/nfs/dbraw/zinc/16/49/77/569164977.db2.gz	MZDNYDAVTJVRQG-UHFFFAOYSA-N	-1	1	446.439	3.287	50	10		IGCAMM
COc1ccc(N2CCN(C(=O)CCn3c(-c4ccc(F)cc4)n[n-]c3=S)CC2)cc1	ZINC000012595255	524411320	/nfs/dbraw/zinc/41/13/20/524411320.db2.gz	DIRKSODLNPFDRQ-UHFFFAOYSA-N	-1	1	441.532	3.494	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000000712598	555547673	/nfs/dbraw/zinc/54/76/73/555547673.db2.gz	IWZIKSNDWKGIDS-UHFFFAOYSA-N	-1	1	437.304	3.495	50	10		IGCAMM
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc([N+](=O)[O-])c1O	ZINC000027501275	563042443	/nfs/dbraw/zinc/04/24/43/563042443.db2.gz	OYSVWFBEXPCQGO-XGICHPGQSA-N	-1	1	431.788	3.467	50	10		IGCAMM
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000008430325	132281635	/nfs/dbraw/zinc/28/16/35/132281635.db2.gz	RIWKIDNYOWDHJH-VBKFSLOCSA-N	-1	1	448.456	3.485	50	10		IGCAMM
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000002594493	536659754	/nfs/dbraw/zinc/65/97/54/536659754.db2.gz	WXTNXATVJGBGSQ-ZSAINHDTSA-N	-1	1	426.450	3.219	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	ZINC000013942882	556340425	/nfs/dbraw/zinc/34/04/25/556340425.db2.gz	URCSXKZLYVTINB-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	ZINC000013942882	556340427	/nfs/dbraw/zinc/34/04/27/556340427.db2.gz	URCSXKZLYVTINB-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Br)cc2)C(=O)N1	ZINC000002970416	557134391	/nfs/dbraw/zinc/13/43/91/557134391.db2.gz	ZYHBTTDHYORUOI-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)C(=O)N1	ZINC000002970416	557134392	/nfs/dbraw/zinc/13/43/92/557134392.db2.gz	ZYHBTTDHYORUOI-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000006144505	556077740	/nfs/dbraw/zinc/07/77/40/556077740.db2.gz	XCUBUHGHBHQVCH-QKLQHJQFSA-N	-1	1	436.434	3.032	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1C	ZINC000002945090	556151617	/nfs/dbraw/zinc/15/16/17/556151617.db2.gz	LIYRCAJHMWBHHS-UHFFFAOYSA-N	-1	1	446.912	3.029	50	10		IGCAMM
COCCN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)C(=O)N(c2ccccc2)C1=O	ZINC000015945326	556566884	/nfs/dbraw/zinc/56/68/84/556566884.db2.gz	IQFNMSIUZQQJNT-PTNGSMBKSA-N	-1	1	445.269	3.180	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1	ZINC000012285273	522310431	/nfs/dbraw/zinc/31/04/31/522310431.db2.gz	WHEFEFUMVWHXGV-UHFFFAOYSA-N	-1	1	446.912	3.029	50	10		IGCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000012342311	526359850	/nfs/dbraw/zinc/35/98/50/526359850.db2.gz	GNSZLFIBKBBJTB-LDADJPATSA-N	-1	1	435.436	3.146	50	10		IGCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1ccc(Cl)cc1Cl	ZINC000000830334	557289246	/nfs/dbraw/zinc/28/92/46/557289246.db2.gz	QURVESYKHOOCQA-UHFFFAOYSA-N	-1	1	437.304	3.495	50	10		IGCAMM
Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000084072623	568791518	/nfs/dbraw/zinc/79/15/18/568791518.db2.gz	LIJXVDXDFZMXLU-UHFFFAOYSA-N	-1	1	428.510	3.010	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	ZINC000002977393	569433641	/nfs/dbraw/zinc/43/36/41/569433641.db2.gz	YDJCSMMWTZAXLH-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	ZINC000002977393	569433642	/nfs/dbraw/zinc/43/36/42/569433642.db2.gz	YDJCSMMWTZAXLH-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000013550622	132349543	/nfs/dbraw/zinc/34/95/43/132349543.db2.gz	QHKWERGKKORRBD-FDIDWWNZSA-N	-1	1	438.896	3.053	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1	ZINC000015011879	556483530	/nfs/dbraw/zinc/48/35/30/556483530.db2.gz	OMLQLOPFHAOOJQ-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)C(=O)N1	ZINC000015011879	556483532	/nfs/dbraw/zinc/48/35/32/556483532.db2.gz	OMLQLOPFHAOOJQ-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cccnc1)CC(=O)O2	ZINC000096222116	569387058	/nfs/dbraw/zinc/38/70/58/569387058.db2.gz	QYSQJPNRUZZBBU-LBPRGKRZSA-N	-1	1	433.372	3.118	50	10		IGCAMM
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000002807471	569422740	/nfs/dbraw/zinc/42/27/40/569422740.db2.gz	KDHPLQZJRRBHDA-UHFFFAOYSA-N	-1	1	430.800	3.166	50	10		IGCAMM
COc1ccc(C(=O)Oc2c(Cl)cc(/C=C3\C(=O)[N-]C(=O)NC3=O)cc2OC)cc1	ZINC000002807471	569422741	/nfs/dbraw/zinc/42/27/41/569422741.db2.gz	KDHPLQZJRRBHDA-UHFFFAOYSA-N	-1	1	430.800	3.166	50	10		IGCAMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c1	ZINC000009908219	132331599	/nfs/dbraw/zinc/33/15/99/132331599.db2.gz	ZXHQEVGYBXDHQK-OVCLIPMQSA-N	-1	1	444.896	3.252	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N1	ZINC000001191930	568736660	/nfs/dbraw/zinc/73/66/60/568736660.db2.gz	WSVSYISTWYQOFL-UHFFFAOYSA-N	-1	1	437.253	3.051	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N1	ZINC000001191930	568736662	/nfs/dbraw/zinc/73/66/62/568736662.db2.gz	WSVSYISTWYQOFL-UHFFFAOYSA-N	-1	1	437.253	3.051	50	10		IGCAMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(C)c(I)c1	ZINC000002208483	569194019	/nfs/dbraw/zinc/19/40/19/569194019.db2.gz	QAOXWRWUOBVWIV-VIZOYTHASA-N	-1	1	437.306	3.352	50	10		IGCAMM
COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@@H](C(=O)[O-])C4)c3oc2=O)c1	ZINC000094993375	569355946	/nfs/dbraw/zinc/35/59/46/569355946.db2.gz	BXRUOTGNUPNFLC-OAHLLOKOSA-N	-1	1	439.464	3.479	50	10		IGCAMM
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c1	ZINC000009259374	132311455	/nfs/dbraw/zinc/31/14/55/132311455.db2.gz	ZXHQEVGYBXDHQK-NVNXTCNLSA-N	-1	1	444.896	3.252	50	10		IGCAMM
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000006144506	556077897	/nfs/dbraw/zinc/07/78/97/556077897.db2.gz	XCUBUHGHBHQVCH-ZWOKBUDYSA-N	-1	1	436.434	3.032	50	10		IGCAMM
Cc1c(/C=C2\C(=O)[N-]C(=S)NC2=O)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003212668	556805290	/nfs/dbraw/zinc/80/52/90/556805290.db2.gz	FJSLKEPNTAAFGQ-UHFFFAOYSA-N	-1	1	434.433	3.142	50	10		IGCAMM
Cc1c(/C=C2/C(=O)[N-]C(=S)NC2=O)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003212668	556805293	/nfs/dbraw/zinc/80/52/93/556805293.db2.gz	FJSLKEPNTAAFGQ-UHFFFAOYSA-N	-1	1	434.433	3.142	50	10		IGCAMM
Cc1c(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000003212668	556805296	/nfs/dbraw/zinc/80/52/96/556805296.db2.gz	FJSLKEPNTAAFGQ-UHFFFAOYSA-N	-1	1	434.433	3.142	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1	ZINC000002964914	557134510	/nfs/dbraw/zinc/13/45/10/557134510.db2.gz	DCEDFUSTAGYFFJ-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N1	ZINC000002964914	557134515	/nfs/dbraw/zinc/13/45/15/557134515.db2.gz	DCEDFUSTAGYFFJ-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
Cc1ccc(OCCOc2ccc(Cl)cc2C=C2C(=O)[N-]C(=S)NC2=O)c(C)c1	ZINC000002977570	569433626	/nfs/dbraw/zinc/43/36/26/569433626.db2.gz	KGORYTCPMGBDCB-UHFFFAOYSA-N	-1	1	430.913	3.329	50	10		IGCAMM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)N1CCCCCC1	ZINC000020568012	525086069	/nfs/dbraw/zinc/08/60/69/525086069.db2.gz	HYTVYLXMVCFJSK-UHFFFAOYSA-N	-1	1	432.498	3.241	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(Cc2ccc(Br)cc2)c2ccccc12	ZINC000019631210	556832540	/nfs/dbraw/zinc/83/25/40/556832540.db2.gz	IGEFUCTZOXQFGL-UHFFFAOYSA-N	-1	1	440.322	3.366	50	10		IGCAMM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc2c1C(=O)C1=CCC=C[C@@H]1C2=O	ZINC000101125269	557261230	/nfs/dbraw/zinc/26/12/30/557261230.db2.gz	CHYKUBGUDZTITC-BKSHLIBESA-N	-1	1	439.427	3.003	50	10		IGCAMM
CC(C)S(=O)(=O)N1CCN(Cc2c3c(C(=O)c4ccccc4)coc3ccc2[O-])CC1	ZINC000252495050	569288031	/nfs/dbraw/zinc/28/80/31/569288031.db2.gz	OLQBNGGNPNFHTR-UHFFFAOYSA-N	-1	1	442.537	3.225	50	10		IGCAMM
Cc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c(C)c1	ZINC000009262628	132311506	/nfs/dbraw/zinc/31/15/06/132311506.db2.gz	FFHIGMAYHJHQHL-YVLHZVERSA-N	-1	1	433.489	3.174	50	10		IGCAMM
O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1cccc(C(F)(F)F)c1	ZINC000021537324	527053198	/nfs/dbraw/zinc/05/31/98/527053198.db2.gz	WCVLBMQSLMSUQW-UHFFFAOYSA-N	-1	1	435.387	3.427	50	10		IGCAMM
O=C1[N-]C(=S)N(CCc2ccccc2)C(=O)C1=CNc1ccc(N2CCCCC2)cc1	ZINC000017206278	556673195	/nfs/dbraw/zinc/67/31/95/556673195.db2.gz	DTIJXUXCBUEVMB-HEHNFIMWSA-N	-1	1	434.565	3.459	50	10		IGCAMM
COc1cc(C(=O)c2coc3ccc([O-])c(CN4CCOCC4)c23)cc(OC)c1OC	ZINC000226848373	557809996	/nfs/dbraw/zinc/80/99/96/557809996.db2.gz	SKQYSJLGOQBIJX-UHFFFAOYSA-N	-1	1	427.453	3.227	50	10		IGCAMM
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002261662	132250696	/nfs/dbraw/zinc/25/06/96/132250696.db2.gz	MEVWASZAEAZSCU-WIWNTQSISA-N	-1	1	430.869	3.023	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc(C)cc1C	ZINC000022229031	520691301	/nfs/dbraw/zinc/69/13/01/520691301.db2.gz	OPEBZELUUYGWJI-UHFFFAOYSA-N	-1	1	440.521	3.074	50	10		IGCAMM
O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCCc1ccc(O)c(O)c1	ZINC000012896557	526945776	/nfs/dbraw/zinc/94/57/76/526945776.db2.gz	RFYFYDNZYHEACE-UHFFFAOYSA-N	-1	1	447.443	3.315	50	10		IGCAMM
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1ccc(O)c(O)c1	ZINC000012896557	526945782	/nfs/dbraw/zinc/94/57/82/526945782.db2.gz	RFYFYDNZYHEACE-UHFFFAOYSA-N	-1	1	447.443	3.315	50	10		IGCAMM
COc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000002594491	536660003	/nfs/dbraw/zinc/66/00/03/536660003.db2.gz	WXTNXATVJGBGSQ-UEMWTREESA-N	-1	1	426.450	3.219	50	10		IGCAMM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc2c1C(=O)C1=CCC=C[C@@H]1C2=O	ZINC000101125272	557261090	/nfs/dbraw/zinc/26/10/90/557261090.db2.gz	CHYKUBGUDZTITC-HOIWHWPGSA-N	-1	1	439.427	3.003	50	10		IGCAMM
COC(=O)Cc1c(C)c2cc(CNc3ccc(OC)c(OC)c3)c([O-])c(C)c2oc1=O	ZINC000009061225	569499635	/nfs/dbraw/zinc/49/96/35/569499635.db2.gz	SJBCQOCIQIGCME-UHFFFAOYSA-N	-1	1	427.453	3.460	50	10		IGCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000009908232	132331641	/nfs/dbraw/zinc/33/16/41/132331641.db2.gz	ZCDQDGGCTRDRGF-FOWTUZBSSA-N	-1	1	435.436	3.146	50	10		IGCAMM
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000009934881	536657087	/nfs/dbraw/zinc/65/70/87/536657087.db2.gz	BLAPAQUJTDHBTK-CPNJWEJPSA-N	-1	1	447.472	3.015	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc(C)c(C)c1	ZINC000013896190	556329193	/nfs/dbraw/zinc/32/91/93/556329193.db2.gz	PPTOFUIKBILNLS-UHFFFAOYSA-N	-1	1	440.521	3.074	50	10		IGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cccnc1)CC(=O)O2	ZINC000096222118	569387026	/nfs/dbraw/zinc/38/70/26/569387026.db2.gz	QYSQJPNRUZZBBU-GFCCVEGCSA-N	-1	1	433.372	3.118	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccccc1Cl	ZINC000002977237	569433599	/nfs/dbraw/zinc/43/35/99/569433599.db2.gz	OQMLCFJEGZXLBQ-UHFFFAOYSA-N	-1	1	446.912	3.111	50	10		IGCAMM
O=C([O-])C[C@H](NCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000009281082	569518574	/nfs/dbraw/zinc/51/85/74/569518574.db2.gz	OABAWSNBZPCXBT-NRFANRHFSA-N	-1	1	428.444	3.034	50	10		IGCAMM
O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1	ZINC000009371052	569526933	/nfs/dbraw/zinc/52/69/33/569526933.db2.gz	BPYSPHOCVLMALG-UETJRYKRSA-N	-1	1	439.585	3.131	50	10		IGCAMM
CCN(CC)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000006144503	556077882	/nfs/dbraw/zinc/07/78/82/556077882.db2.gz	XCUBUHGHBHQVCH-HLIPFELVSA-N	-1	1	436.434	3.032	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000001193367	568736710	/nfs/dbraw/zinc/73/67/10/568736710.db2.gz	NWLSBDXSNANCFI-UHFFFAOYSA-N	-1	1	435.274	3.082	50	10		IGCAMM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c1	ZINC000096258758	569388064	/nfs/dbraw/zinc/38/80/64/569388064.db2.gz	KHZMDDHEBQSUEZ-VCHYOVAHSA-N	-1	1	433.489	3.174	50	10		IGCAMM
CCC(=O)NCCc1c(C=C2C(=O)[N-]C(=S)N([C@H](C)CC)C2=O)[nH]c2ccccc21	ZINC000009312733	569521947	/nfs/dbraw/zinc/52/19/47/569521947.db2.gz	DMMSJBWVRYFOOI-OPCAMPFDSA-N	-1	1	426.542	3.073	50	10		IGCAMM
Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000009348004	132314109	/nfs/dbraw/zinc/31/41/09/132314109.db2.gz	WLDUUDJWBONUQD-UHFFFAOYSA-N	-1	1	428.872	3.057	50	10		IGCAMM
CCCCCCN1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C(=O)[N-]C1=S	ZINC000012661911	520074819	/nfs/dbraw/zinc/07/48/19/520074819.db2.gz	PGSGBBIKGDXPAH-JXAWBTAJSA-N	-1	1	440.569	3.054	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccccc1F	ZINC000000657696	555525776	/nfs/dbraw/zinc/52/57/76/555525776.db2.gz	GEJONMPILTYULH-UHFFFAOYSA-N	-1	1	434.876	3.371	50	10		IGCAMM
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001176246	557120058	/nfs/dbraw/zinc/12/00/58/557120058.db2.gz	AUFQSIFLWXWEOY-UHFFFAOYSA-N	-1	1	445.225	3.267	50	10		IGCAMM
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001176246	557120061	/nfs/dbraw/zinc/12/00/61/557120061.db2.gz	AUFQSIFLWXWEOY-UHFFFAOYSA-N	-1	1	445.225	3.267	50	10		IGCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000019996818	569332224	/nfs/dbraw/zinc/33/22/24/569332224.db2.gz	UEGOUZZRDYCFPF-DHDCSXOGSA-N	-1	1	426.450	3.139	50	10		IGCAMM
COC(=O)C(C(=O)OC)=c1cc(Br)c2noc3c2c1c([O-])c1ccccc31	ZINC000001092781	562920418	/nfs/dbraw/zinc/92/04/18/562920418.db2.gz	SWWPLEYBHQTTBQ-UHFFFAOYSA-N	-1	1	430.210	3.231	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1C	ZINC000001169259	568683720	/nfs/dbraw/zinc/68/37/20/568683720.db2.gz	YJHSQTXOTWMRGR-UHFFFAOYSA-N	-1	1	445.269	3.095	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1C	ZINC000001169259	568683723	/nfs/dbraw/zinc/68/37/23/568683723.db2.gz	YJHSQTXOTWMRGR-UHFFFAOYSA-N	-1	1	445.269	3.095	50	10		IGCAMM
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002261660	132250454	/nfs/dbraw/zinc/25/04/54/132250454.db2.gz	MEVWASZAEAZSCU-RCEBRVLHSA-N	-1	1	430.869	3.023	50	10		IGCAMM
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c(C)c1	ZINC000002982594	132260040	/nfs/dbraw/zinc/26/00/40/132260040.db2.gz	OFZKRKYIFKQMST-RIYZIHGNSA-N	-1	1	444.896	3.252	50	10		IGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000014011011	132355787	/nfs/dbraw/zinc/35/57/87/132355787.db2.gz	GUDPBJAHALBPHM-FDIDWWNZSA-N	-1	1	436.855	3.197	50	10		IGCAMM
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000001777278	555714363	/nfs/dbraw/zinc/71/43/63/555714363.db2.gz	YRIIEBJDRSMHQP-AUWJEWJLSA-N	-1	1	432.435	3.413	50	10		IGCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O	ZINC000136546462	556818545	/nfs/dbraw/zinc/81/85/45/556818545.db2.gz	MOKXBYFWIDHUMK-XMHGGMMESA-N	-1	1	438.443	3.191	50	10		IGCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-]	ZINC000136546462	556818547	/nfs/dbraw/zinc/81/85/47/556818547.db2.gz	MOKXBYFWIDHUMK-XMHGGMMESA-N	-1	1	438.443	3.191	50	10		IGCAMM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc2c1C(=O)C1=CCC=C[C@H]1C2=O	ZINC000101125277	557261070	/nfs/dbraw/zinc/26/10/70/557261070.db2.gz	CHYKUBGUDZTITC-POYVLVGLSA-N	-1	1	439.427	3.003	50	10		IGCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCc1c(Cl)cccc1Cl	ZINC000000979666	568648606	/nfs/dbraw/zinc/64/86/06/568648606.db2.gz	TUMXSZLYWJPLGR-UHFFFAOYSA-N	-1	1	437.304	3.495	50	10		IGCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288653	568882097	/nfs/dbraw/zinc/88/20/97/568882097.db2.gz	XTTXKWNCTPKHBC-XDHOZWIPSA-N	-1	1	437.496	3.102	50	10		IGCAMM
Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000009259959	132311460	/nfs/dbraw/zinc/31/14/60/132311460.db2.gz	GUDPBJAHALBPHM-FEEIMYBTSA-N	-1	1	436.855	3.197	50	10		IGCAMM
COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000012363405	524533397	/nfs/dbraw/zinc/53/33/97/524533397.db2.gz	ROAVLEGPJJGNBH-GHRIWEEISA-N	-1	1	447.472	3.015	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000009311647	556279997	/nfs/dbraw/zinc/27/99/97/556279997.db2.gz	KKTUOZPCFGNQEV-VGOFMYFVSA-N	-1	1	434.876	3.323	50	10		IGCAMM
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[N-]C1=S	ZINC000009322209	556281068	/nfs/dbraw/zinc/28/10/68/556281068.db2.gz	DXOGNJOHHXYBDB-MDWZMJQESA-N	-1	1	449.301	3.424	50	10		IGCAMM
CCN(CC)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccnc2)cc1	ZINC000011859301	556367758	/nfs/dbraw/zinc/36/77/58/556367758.db2.gz	XCUBUHGHBHQVCH-ABSDTBQOSA-N	-1	1	436.434	3.032	50	10		IGCAMM
O=S(=O)([N-]c1ccccc1S(=O)(=O)Nc1ccccc1)c1cccc2nsnc21	ZINC000019079781	568640617	/nfs/dbraw/zinc/64/06/17/568640617.db2.gz	UOICFALOGBILBJ-UHFFFAOYSA-N	-1	1	446.535	3.293	50	10		IGCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12	ZINC000015800496	568839575	/nfs/dbraw/zinc/83/95/75/568839575.db2.gz	NQOXNOFLWRNLGB-UHFFFAOYSA-N	-1	1	425.897	3.288	50	10		IGCAMM
CCCN1CCN(c2cc(NCCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000020108013	569334414	/nfs/dbraw/zinc/33/44/14/569334414.db2.gz	PGUGEPCTKNGLRF-UHFFFAOYSA-N	-1	1	434.496	3.458	50	10		IGCAMM
CN1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000096475864	569400905	/nfs/dbraw/zinc/40/09/05/569400905.db2.gz	QMRVMDUHGBIMQJ-AWNIVKPZSA-N	-1	1	449.246	3.362	50	10		IGCAMM
CCCCOC(=O)c1cc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)ccc1Cl	ZINC000008874192	569481027	/nfs/dbraw/zinc/48/10/27/569481027.db2.gz	DKXQPRSAZALAHM-UHFFFAOYSA-N	-1	1	432.885	3.471	50	10		IGCAMM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(OCC(=O)N4CCCCC4)cc3)C2=O)cc1C	ZINC000009354880	569525088	/nfs/dbraw/zinc/52/50/88/569525088.db2.gz	RKQNIUSOBPUMBJ-JCMHNJIXSA-N	-1	1	433.508	3.156	50	10		IGCAMM
O=c1oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2s1	ZINC000006142785	193882123	/nfs/dbraw/zinc/88/21/23/193882123.db2.gz	AAMSEPZZMZVHNO-UHFFFAOYSA-N	-1	1	437.454	3.431	50	10		IGCAMM
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)c1	ZINC000002057471	132247645	/nfs/dbraw/zinc/24/76/45/132247645.db2.gz	RKPDHNMMQZBGGG-CPNJWEJPSA-N	-1	1	431.473	3.315	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1	ZINC000001182452	555672486	/nfs/dbraw/zinc/67/24/86/555672486.db2.gz	URDQIXLWPZIQIG-UHFFFAOYSA-N	-1	1	445.269	3.095	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1	ZINC000001182452	555672488	/nfs/dbraw/zinc/67/24/88/555672488.db2.gz	URDQIXLWPZIQIG-UHFFFAOYSA-N	-1	1	445.269	3.095	50	10		IGCAMM
CCOc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)NC4=O)o3)sc2c1	ZINC000003667054	568753918	/nfs/dbraw/zinc/75/39/18/568753918.db2.gz	FNENBYLJTYWIRD-UHFFFAOYSA-N	-1	1	431.520	3.354	50	10		IGCAMM
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000006492066	568926792	/nfs/dbraw/zinc/92/67/92/568926792.db2.gz	PUASOJJDIPBYFV-UYRXBGFRSA-N	-1	1	446.415	3.283	50	10		IGCAMM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc2c1C(=O)C1=CCC=C[C@H]1C2=O	ZINC000095470864	569371876	/nfs/dbraw/zinc/37/18/76/569371876.db2.gz	CHYKUBGUDZTITC-PHBPSXPMSA-N	-1	1	439.427	3.003	50	10		IGCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000002771629	569420980	/nfs/dbraw/zinc/42/09/80/569420980.db2.gz	PYXIFPZJMHQUMN-UHFFFAOYSA-N	-1	1	427.438	3.327	50	10		IGCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000002771629	569420983	/nfs/dbraw/zinc/42/09/83/569420983.db2.gz	PYXIFPZJMHQUMN-UHFFFAOYSA-N	-1	1	427.438	3.327	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000002771629	569420984	/nfs/dbraw/zinc/42/09/84/569420984.db2.gz	PYXIFPZJMHQUMN-UHFFFAOYSA-N	-1	1	427.438	3.327	50	10		IGCAMM
Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)c1	ZINC000009260427	132311588	/nfs/dbraw/zinc/31/15/88/132311588.db2.gz	RKPDHNMMQZBGGG-UYRXBGFRSA-N	-1	1	431.473	3.315	50	10		IGCAMM
O=C([O-])CCCCCCCCCCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O	ZINC000100723191	556657574	/nfs/dbraw/zinc/65/75/74/556657574.db2.gz	SOVVROFKTLWNCQ-MNDPQUGUSA-N	-1	1	429.517	3.334	50	10		IGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096222199	569387112	/nfs/dbraw/zinc/38/71/12/569387112.db2.gz	IIUWPMBVLWMVKF-ZDUSSCGKSA-N	-1	1	448.383	3.429	50	10		IGCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)c(Br)c(Br)c1O	ZINC000001193585	568736839	/nfs/dbraw/zinc/73/68/39/568736839.db2.gz	BNELWBBQZRXBBD-ZZXKWVIFSA-N	-1	1	425.123	3.415	50	10		IGCAMM
O=C([O-])C[C@@H](NCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000009281083	569518578	/nfs/dbraw/zinc/51/85/78/569518578.db2.gz	OABAWSNBZPCXBT-OAQYLSRUSA-N	-1	1	428.444	3.034	50	10		IGCAMM
Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c(C)c1	ZINC000002144341	132248247	/nfs/dbraw/zinc/24/82/47/132248247.db2.gz	FFHIGMAYHJHQHL-LICLKQGHSA-N	-1	1	433.489	3.174	50	10		IGCAMM
NC(=O)c1cc(C2=Nn3c(=O)c4c(-c5ccccc5)csc4nc3SC2)ccc1[O-]	ZINC000012777445	527024584	/nfs/dbraw/zinc/02/45/84/527024584.db2.gz	RVLCOBXXYYOLQG-UHFFFAOYSA-N	-1	1	434.502	3.288	50	10		IGCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OS(=O)(=O)c1ccc(F)cc1	ZINC000002988107	555874472	/nfs/dbraw/zinc/87/44/72/555874472.db2.gz	LQKAMKXDULVYMA-OQLLNIDSSA-N	-1	1	425.484	3.091	50	10		IGCAMM
CN1C(=O)NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000009311139	556279259	/nfs/dbraw/zinc/27/92/59/556279259.db2.gz	QMRVMDUHGBIMQJ-MLPAPPSSSA-N	-1	1	449.246	3.362	50	10		IGCAMM
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013522328	556512136	/nfs/dbraw/zinc/51/21/36/556512136.db2.gz	VUCLFWSFUQONIV-ODLFYWEKSA-N	-1	1	433.420	3.047	50	10		IGCAMM
Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H]2C(=O)[O-])c(=O)c1-c1ccc2c(c1)OCCO2	ZINC000009361126	569525843	/nfs/dbraw/zinc/52/58/43/569525843.db2.gz	HXBCRKHZFRXGCI-KRWDZBQOSA-N	-1	1	437.448	3.294	50	10		IGCAMM
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000002399539	132253768	/nfs/dbraw/zinc/25/37/68/132253768.db2.gz	NZZMKBBUWMSSOR-QGOAFFKASA-N	-1	1	431.473	3.315	50	10		IGCAMM
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c(C)c1	ZINC000006795906	132279102	/nfs/dbraw/zinc/27/91/02/132279102.db2.gz	OFZKRKYIFKQMST-ZSOIEALJSA-N	-1	1	444.896	3.252	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCSc1ccc(C)cc1	ZINC000013898631	556330470	/nfs/dbraw/zinc/33/04/70/556330470.db2.gz	FKTKOTMIFRKSAK-UHFFFAOYSA-N	-1	1	428.535	3.089	50	10		IGCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)[N-]C1=S	ZINC000098086703	557122662	/nfs/dbraw/zinc/12/26/62/557122662.db2.gz	ZOOCVDIQWMTKPR-LDADJPATSA-N	-1	1	437.496	3.102	50	10		IGCAMM
Cc1cc(/C=C2/NC(=S)[N-]C2=O)c(C)n1-c1ccc(I)c(C)c1	ZINC000001065698	568656095	/nfs/dbraw/zinc/65/60/95/568656095.db2.gz	UJTREPKIQXYCET-OVCLIPMQSA-N	-1	1	437.306	3.352	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	ZINC000002977498	569433658	/nfs/dbraw/zinc/43/36/58/569433658.db2.gz	MYXLALWVMHDPIH-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	ZINC000002977498	569433659	/nfs/dbraw/zinc/43/36/59/569433659.db2.gz	MYXLALWVMHDPIH-UHFFFAOYSA-N	-1	1	444.871	3.173	50	10		IGCAMM
COC(=O)Cc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	ZINC000009157911	569508434	/nfs/dbraw/zinc/50/84/34/569508434.db2.gz	ZFUBPZZPHLSRGS-UHFFFAOYSA-N	-1	1	429.473	3.007	50	10		IGCAMM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1O	ZINC000009259569	132311447	/nfs/dbraw/zinc/31/14/47/132311447.db2.gz	QNYKOYVLDHFKAP-SXGWCWSVSA-N	-1	1	425.397	3.099	50	10		IGCAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(C)c2)c(Br)c1	ZINC000012526097	525609387	/nfs/dbraw/zinc/60/93/87/525609387.db2.gz	OTIQJNPTRBNHOR-UHFFFAOYSA-N	-1	1	433.349	3.238	50	10		IGCAMM
COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)cc1	ZINC000020266741	557004742	/nfs/dbraw/zinc/00/47/42/557004742.db2.gz	PLZLDMPGHCIAIT-YVLHZVERSA-N	-1	1	435.461	3.406	50	10		IGCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002970270	557134384	/nfs/dbraw/zinc/13/43/84/557134384.db2.gz	OKKQADSOAHXYCJ-UHFFFAOYSA-N	-1	1	431.788	3.426	50	10		IGCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002970270	557134385	/nfs/dbraw/zinc/13/43/85/557134385.db2.gz	OKKQADSOAHXYCJ-UHFFFAOYSA-N	-1	1	431.788	3.426	50	10		IGCAMM
CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl	ZINC000013004101	568898741	/nfs/dbraw/zinc/89/87/41/568898741.db2.gz	HTAJINBBUUHVNE-UHFFFAOYSA-N	-1	1	439.740	3.275	50	10		IGCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	ZINC000002977203	569433602	/nfs/dbraw/zinc/43/36/02/569433602.db2.gz	DLHPGUOIRJWTQG-UHFFFAOYSA-N	-1	1	446.912	3.029	50	10		IGCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1cc(C)cc(C)c1	ZINC000002977242	569433621	/nfs/dbraw/zinc/43/36/21/569433621.db2.gz	MDDWRDAQOHTMGK-UHFFFAOYSA-N	-1	1	440.521	3.074	50	10		IGCAMM
COc1ccc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000017027650	569171258	/nfs/dbraw/zinc/17/12/58/569171258.db2.gz	ANVOPOCREMIXBU-WOJGMQOQSA-N	-1	1	439.493	3.329	50	10		IGCAMM
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1	ZINC000040089164	569487068	/nfs/dbraw/zinc/48/70/68/569487068.db2.gz	ZSEWFDKFDQMFEC-UHFFFAOYSA-N	-1	1	436.537	3.413	50	10		IGCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000002366067	132253103	/nfs/dbraw/zinc/25/31/03/132253103.db2.gz	GNSZLFIBKBBJTB-PDGQHHTCSA-N	-1	1	435.436	3.146	50	10		IGCAMM
O=C([O-])c1ccc(COc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1	ZINC000002903820	555860894	/nfs/dbraw/zinc/86/08/94/555860894.db2.gz	NQOFIAXXUFWNHZ-UHFFFAOYSA-N	-1	1	435.219	3.020	50	10		IGCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccccc2)c1=O	ZINC000096562416	569401192	/nfs/dbraw/zinc/40/11/92/569401192.db2.gz	MOKXBYFWIDHUMK-RGEXLXHISA-N	-1	1	438.443	3.191	50	10		IGCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccccc2)c1[O-]	ZINC000096562416	569401194	/nfs/dbraw/zinc/40/11/94/569401194.db2.gz	MOKXBYFWIDHUMK-RGEXLXHISA-N	-1	1	438.443	3.191	50	10		IGCAMM
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)NC2=S)c1C	ZINC000009264472	132311708	/nfs/dbraw/zinc/31/17/08/132311708.db2.gz	IULTZIQLDPEFIU-LICLKQGHSA-N	-1	1	433.489	3.174	50	10		IGCAMM
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(OC)c(OC)c(OC)c1	ZINC000009189868	556252633	/nfs/dbraw/zinc/25/26/33/556252633.db2.gz	QMEGFVVTCPSKCH-STZFKDTASA-N	-1	1	439.468	3.364	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1	ZINC000001175070	557119572	/nfs/dbraw/zinc/11/95/72/557119572.db2.gz	GSTBURPMTIYSAX-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N1	ZINC000001175070	557119577	/nfs/dbraw/zinc/11/95/77/557119577.db2.gz	GSTBURPMTIYSAX-UHFFFAOYSA-N	-1	1	435.661	3.431	50	10		IGCAMM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000100195315	557247049	/nfs/dbraw/zinc/24/70/49/557247049.db2.gz	QHKWERGKKORRBD-FEEIMYBTSA-N	-1	1	438.896	3.053	50	10		IGCAMM
COc1ccc(N2CCN(Cc3coc(=O)c(C[N@@H+](C)Cc4ccccc4)c3[O-])CC2)cc1	ZINC000101373528	557276923	/nfs/dbraw/zinc/27/69/23/557276923.db2.gz	WWMPQTZVLMBQMY-UHFFFAOYSA-N	-1	1	449.551	3.308	50	10		IGCAMM
COc1ccc(OC)c(-c2cc3ccc([O-])c(C[N@H+]4CCC[C@H](C(=O)[O-])C4)c3oc2=O)c1	ZINC000094993374	569355956	/nfs/dbraw/zinc/35/59/56/569355956.db2.gz	BXRUOTGNUPNFLC-HNNXBMFYSA-N	-1	1	439.464	3.479	50	10		IGCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2	ZINC000096222200	569386980	/nfs/dbraw/zinc/38/69/80/569386980.db2.gz	IIUWPMBVLWMVKF-CYBMUJFWSA-N	-1	1	448.383	3.429	50	10		IGCAMM