smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc2ccc3ccc([O-])c4ccc1c2c34	ZINC000006094554	170175517	/nfs/dbraw/zinc/17/55/17/170175517.db2.gz	RHXGKMNLLUKFLG-UHFFFAOYSA-N	-1	3	263.252	4.198	10	5		CIBEHM
O=[N+]([O-])c1ccc2ccc3cccc4cc([O-])c1c2c34	ZINC000006094835	170175822	/nfs/dbraw/zinc/17/58/22/170175822.db2.gz	ISTXQGWVNRUWBU-UHFFFAOYSA-N	-1	3	263.252	4.198	10	5		CIBEHM
O=[N+]([O-])c1ccc2cc(-c3ccccc3)cc([O-])c2c1	ZINC000006116694	170176960	/nfs/dbraw/zinc/17/69/60/170176960.db2.gz	VJQHQIRKHZXMQF-UHFFFAOYSA-N	-1	3	265.268	4.121	10	5		CIBEHM
O=[N+]([O-])c1ccc2ccc3c([O-])ccc4ccc1c2c43	ZINC000006094292	170175542	/nfs/dbraw/zinc/17/55/42/170175542.db2.gz	MAVZUIFIVMZYMX-UHFFFAOYSA-N	-1	3	263.252	4.198	10	5		CIBEHM
O=[N+]([O-])c1cc2c3c(cccc3c1)-c1c-2cccc1[O-]	ZINC000022060954	171351738	/nfs/dbraw/zinc/35/17/38/171351738.db2.gz	RUCSPGBEEAVCOH-UHFFFAOYSA-N	-1	3	263.252	4.101	10	5	in-vitro	CIBEHM