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-])c1cc(-c2ccc(O)cc2)ccc1O	ZINC000024718402	349855313	/nfs/dbraw/zinc/85/53/13/349855313.db2.gz	RTMAIRQMOJFXRN-UHFFFAOYSA-N	0	2	231.207	2.673	40	5		BFBBLN
Cc1c2ccc(O)cc2oc2cc(=O)ccc1-2	ZINC000004582278	342749379	/nfs/dbraw/zinc/74/93/79/342749379.db2.gz	SVRLBYNUPKWESW-UHFFFAOYSA-N	0	2	226.231	2.912	40	5		BFBBLN
Cc1cc(-c2cscn2)c(O)c([N+](=O)[O-])c1	ZINC000073281074	384246583	/nfs/dbraw/zinc/24/65/83/384246583.db2.gz	XQFUGTVAWCRUHU-UHFFFAOYSA-N	0	2	236.252	2.732	40	5		BFBBLN
O=[N+]([O-])Cc1ccc(Cl)c(Cl)c1	ZINC000084916735	182919867	/nfs/dbraw/zinc/91/98/67/182919867.db2.gz	XMZBTQCHFSXKNI-UHFFFAOYSA-N	0	2	206.028	2.770	40	5		BFBBLN
CC[C@H](Sc1ccccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000002042255	360458992	/nfs/dbraw/zinc/45/89/92/360458992.db2.gz	HIIWNXDQAASFMQ-VIFPVBQESA-N	0	2	242.256	2.700	40	5		BFBBLN
CCC(Sc1ccccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000002042255	360459000	/nfs/dbraw/zinc/45/90/00/360459000.db2.gz	HIIWNXDQAASFMQ-VIFPVBQESA-N	0	2	242.256	2.700	40	5		BFBBLN
O=[N+]([O-])c1cccc(Cc2ccccc2)c1O	ZINC000057352721	388357395	/nfs/dbraw/zinc/35/73/95/388357395.db2.gz	JVQHZDVKUVIABL-UHFFFAOYSA-N	0	2	229.235	2.891	40	5		BFBBLN
CC[C@@H](Sc1ccccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000001733901	357440727	/nfs/dbraw/zinc/44/07/27/357440727.db2.gz	HIIWNXDQAASFMQ-SECBINFHSA-N	0	2	242.256	2.700	40	5		BFBBLN
CCC(Sc1ccccc1[N+](=O)[O-])[N+](=O)[O-]	ZINC000001733901	357440732	/nfs/dbraw/zinc/44/07/32/357440732.db2.gz	HIIWNXDQAASFMQ-SECBINFHSA-N	0	2	242.256	2.700	40	5		BFBBLN