smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C1CCCCC1	ZINC000005648623	204219138	/nfs/dbraw/zinc/21/91/38/204219138.db2.gz	LILNRAQFQLWKEF-UDWIEESQSA-N	-2	3	352.463	4.729	50	30		FJEAHL
Cc1ccc([O-])c(N=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000252615817	525354789	/nfs/dbraw/zinc/35/47/89/525354789.db2.gz	JVGYVWIHLXCCDF-UHFFFAOYSA-N	-2	3	362.385	4.656	50	30		FJEAHL
CCc1ccc([O-])c(N=Cc2cc(Cl)cc(Br)c2[O-])c1	ZINC000252590329	571283782	/nfs/dbraw/zinc/28/37/82/571283782.db2.gz	ARNKLAXHLRZQNQ-UHFFFAOYSA-N	-2	3	354.631	4.827	50	30		FJEAHL
O=C(/C=C/c1ccccc1[O-])c1cccc(C(=O)/C=C/c2ccccc2[O-])c1	ZINC000005583254	527635505	/nfs/dbraw/zinc/63/55/05/527635505.db2.gz	FRFLRNQXMSSLLA-QUMQEAAQSA-N	-2	3	370.404	4.890	50	30		FJEAHL
O=C(/C=C\c1ccccc1[O-])c1cccc(C(=O)/C=C\c2ccccc2[O-])c1	ZINC000033368216	527657845	/nfs/dbraw/zinc/65/78/45/527657845.db2.gz	FRFLRNQXMSSLLA-DZDAAMPGSA-N	-2	3	370.404	4.890	50	30		FJEAHL
Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1c([O-])ccc2ccccc21	ZINC000005648569	570632553	/nfs/dbraw/zinc/63/25/53/570632553.db2.gz	IMZIIYLSJVAWOM-CIAFOILYSA-N	-2	3	360.442	4.657	50	30		FJEAHL
Cc1cccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)c1	ZINC000001478869	204009594	/nfs/dbraw/zinc/00/95/94/204009594.db2.gz	UIVSZPSLILRLGV-CIAFOILYSA-N	-2	3	360.442	4.657	50	30		FJEAHL
O=C(/C=C/c1cccc(/C=C\C(=O)c2ccc([O-])cc2)c1)c1ccc([O-])cc1	ZINC000096766222	527625113	/nfs/dbraw/zinc/62/51/13/527625113.db2.gz	FLDXWMYOOZUFOZ-YHKLRMRPSA-N	-2	3	370.404	4.890	50	30		FJEAHL
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1)c1ccc([O-])cc1	ZINC000003985978	527604009	/nfs/dbraw/zinc/60/40/09/527604009.db2.gz	BHUYEFNOZGAZPA-IAGONARPSA-N	-2	3	370.404	4.890	50	30		FJEAHL
Cc1c(Cl)c(C)c(/C=N/c2ccccc2[O-])c([O-])c1Br	ZINC000001435313	210352751	/nfs/dbraw/zinc/35/27/51/210352751.db2.gz	SOVAJKHHJUSHFE-CNHKJKLMSA-N	-2	3	354.631	4.881	50	30		FJEAHL
O=C(/C=C\c1cccc(/C=C\C(=O)c2ccc([O-])cc2)c1)c1ccc([O-])cc1	ZINC000096766221	527657121	/nfs/dbraw/zinc/65/71/21/527657121.db2.gz	FLDXWMYOOZUFOZ-WPXFVRNCSA-N	-2	3	370.404	4.890	50	30		FJEAHL
CCc1ccc([O-])c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1	ZINC000005247967	570638997	/nfs/dbraw/zinc/63/89/97/570638997.db2.gz	ARNKLAXHLRZQNQ-QGMBQPNBSA-N	-2	3	354.631	4.827	50	30		FJEAHL
Cc1ccc(-c2n[n-]c(=S)n2N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000001473683	570501067	/nfs/dbraw/zinc/50/10/67/570501067.db2.gz	JRQYJPYPGWICEA-CIAFOILYSA-N	-2	3	360.442	4.657	50	30		FJEAHL
COc1c(C=Nc2ccccc2[O-])cc(C)cc1C=Nc1ccccc1[O-]	ZINC000252622911	571288437	/nfs/dbraw/zinc/28/84/37/571288437.db2.gz	OFPWBVLJOODCGJ-UHFFFAOYSA-N	-2	3	360.413	4.916	50	30		FJEAHL
C=CCc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1[O-]	ZINC000006692324	571276616	/nfs/dbraw/zinc/27/66/16/571276616.db2.gz	CRZSRKREOHZDBX-RGVLZGJSSA-N	-2	3	370.865	4.577	50	30		FJEAHL
Cc1ccc([O-])c(/N=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c1	ZINC000004592698	263334445	/nfs/dbraw/zinc/33/44/45/263334445.db2.gz	JVGYVWIHLXCCDF-LPYMAVHISA-N	-2	3	362.385	4.656	50	30		FJEAHL
O=[N+]([O-])c1cc(/N=C/c2cccc([O-])c2)ccc1/N=C/c1cccc([O-])c1	ZINC000004099340	527326537	/nfs/dbraw/zinc/32/65/37/527326537.db2.gz	GLNXGAVKASUVCQ-ADYPVIEZSA-N	-2	3	361.357	4.507	50	30		FJEAHL
CCc1ccc([O-])c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1	ZINC000102424670	209235588	/nfs/dbraw/zinc/23/55/88/209235588.db2.gz	MWNVFRSEKXYUOL-QGMBQPNBSA-N	-2	3	354.631	4.827	50	30		FJEAHL
Cc1ccccc1-c1nc2cc(/N=C/c3cc(C(=O)[O-])ccc3[O-])ccc2o1	ZINC000001435170	571089290	/nfs/dbraw/zinc/08/92/90/571089290.db2.gz	ZJAAXAHOHWXIIQ-FSJBWODESA-N	-2	3	372.380	4.958	50	30		FJEAHL
C/C(=N\c1ccccc1[O-])c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370441	222243096	/nfs/dbraw/zinc/24/30/96/222243096.db2.gz	CDMGIIIDHATSER-BUVRLJJBSA-N	-2	3	370.408	4.543	50	30		FJEAHL