smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(I)ccc2[O-])[nH]1	ZINC000006321231	559196513	/nfs/dbraw/zinc/19/65/13/559196513.db2.gz	JXCSVXKFQTWNEG-HNQUOIGGSA-N	-2	3	401.116	1.452	40	5		HDBBHL
O=c1nc(C=Cc2cc(I)ccc2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000006321231	559196514	/nfs/dbraw/zinc/19/65/14/559196514.db2.gz	JXCSVXKFQTWNEG-HNQUOIGGSA-N	-3	3	401.116	1.452	40	5		HDBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497028	560851836	/nfs/dbraw/zinc/85/18/36/560851836.db2.gz	HQTBMWNSTCRTFD-RDJZCZTQSA-N	-2	3	423.341	1.826	40	5		HDBBHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942635	560763397	/nfs/dbraw/zinc/76/33/97/560763397.db2.gz	ONOCLMMMYKKURJ-WBVHZDCISA-N	-2	3	408.370	1.892	40	5		HDBBHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942638	560763415	/nfs/dbraw/zinc/76/34/15/560763415.db2.gz	ONOCLMMMYKKURJ-DOTOQJQBSA-N	-2	3	408.370	1.892	40	5		HDBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497014	560851818	/nfs/dbraw/zinc/85/18/18/560851818.db2.gz	HQTBMWNSTCRTFD-NVXWUHKLSA-N	-2	3	423.341	1.826	40	5		HDBBHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000005952771	568831827	/nfs/dbraw/zinc/83/18/27/568831827.db2.gz	ONOCLMMMYKKURJ-RDJZCZTQSA-N	-2	3	408.370	1.892	40	5		HDBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497019	560851799	/nfs/dbraw/zinc/85/17/99/560851799.db2.gz	HQTBMWNSTCRTFD-WBVHZDCISA-N	-2	3	423.341	1.826	40	5		HDBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000104497022	560851806	/nfs/dbraw/zinc/85/18/06/560851806.db2.gz	HQTBMWNSTCRTFD-DOTOQJQBSA-N	-2	3	423.341	1.826	40	5		HDBBHL
CCOC(=O)c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942631	560763389	/nfs/dbraw/zinc/76/33/89/560763389.db2.gz	ONOCLMMMYKKURJ-NVXWUHKLSA-N	-2	3	408.370	1.892	40	5		HDBBHL