smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)C=Cc2c([O-])c3oc4ccccc4c(=O)c3cc2O1	ZINC000096932846	185132544	/nfs/dbraw/zinc/13/25/44/185132544.db2.gz	PDMOSLIHIMBXHC-UHFFFAOYSA-N	-1	1	294.306	3.836	1	5		CHBFMM
Cc1c2cc([O-])cc([N+](=O)[O-])c2[nH]c1-c1ccccc1	ZINC000072113562	176318043	/nfs/dbraw/zinc/31/80/43/176318043.db2.gz	GHBRKSXMDFFFSD-UHFFFAOYSA-N	-1	1	268.272	3.757	1	5		CHBFMM
Cc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])cc([O-])c12	ZINC000072114130	176318250	/nfs/dbraw/zinc/31/82/50/176318250.db2.gz	FCHBAUUTKDXNDI-UHFFFAOYSA-N	-1	1	268.272	3.757	1	5		CHBFMM
Cc1c2cc([N+](=O)[O-])cc([O-])c2[nH]c1-c1ccccc1	ZINC000072113256	176318357	/nfs/dbraw/zinc/31/83/57/176318357.db2.gz	KEGBNTQQKKEAHI-UHFFFAOYSA-N	-1	1	268.272	3.757	1	5		CHBFMM
O=c1c2sc3ccccc3c2oc2cc([O-])cc(O)c12	ZINC000001486102	581101567	/nfs/dbraw/zinc/10/15/67/581101567.db2.gz	GRYVVGVFRXERGG-UHFFFAOYSA-N	-1	1	284.292	3.572	1	5		CHBFMM
O=[N+]([O-])c1cc2[nH]c(-c3ccc(F)cc3)cc2c([O-])c1	ZINC000072112989	176317480	/nfs/dbraw/zinc/31/74/80/176317480.db2.gz	BWZOGZOKNKJDOZ-UHFFFAOYSA-N	-1	1	272.235	3.588	1	5		CHBFMM