smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1c([O-])ccc2ccc3ccccc3c21	ZINC000001577015	383907168	/nfs/dbraw/zinc/90/71/68/383907168.db2.gz	COINHGUECMIFMS-UHFFFAOYSA-N	-1	3	222.243	3.511	40	5		BHBBHM
O=[N+]([O-])c1cc2ccc([O-])cc2c2ccccc21	ZINC000001593177	342704776	/nfs/dbraw/zinc/70/47/76/342704776.db2.gz	YBIPHTBHFGUBBX-UHFFFAOYSA-N	-1	3	239.230	3.607	40	5		BHBBHM
CC(=O)c1ccc2c3ccccc3ccc2c1[O-]	ZINC000001595041	383909565	/nfs/dbraw/zinc/90/95/65/383909565.db2.gz	SVTOBQKWKUYOHP-UHFFFAOYSA-N	-1	3	236.270	3.901	40	5		BHBBHM
CC(=O)c1ccc2ccc3ccccc3c2c1[O-]	ZINC000001595043	166469908	/nfs/dbraw/zinc/46/99/08/166469908.db2.gz	MXAVAXUWUAFKAV-UHFFFAOYSA-N	-1	3	236.270	3.901	40	5		BHBBHM
CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1[O-]	ZINC000013779578	343661818	/nfs/dbraw/zinc/66/18/18/343661818.db2.gz	BDOVQBSHXBPOLJ-UHFFFAOYSA-N	-1	3	223.272	3.547	40	5	in-vivo	BHBBHM
CC(C)c1cccc2nc3cccc([O-])c3nc21	ZINC000076495094	398241875	/nfs/dbraw/zinc/24/18/75/398241875.db2.gz	DTUDTEYIVINSNR-UHFFFAOYSA-N	-1	3	238.290	3.612	40	5		BHBBHM