smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(=O)c1cc(C(C)C)cc([N+](=O)[O-])c1O	ZINC000002573994	168255184	/nfs/dbraw/zinc/25/51/84/168255184.db2.gz	NRRFFQMVCJGGJY-UHFFFAOYSA-N	0	2	237.255	3.017	10	5		BGBELN
Sc1cc2cccnc2c2ncccc12	ZINC000033569972	344851894	/nfs/dbraw/zinc/85/18/94/344851894.db2.gz	KUPCPMLLHMMZFM-UHFFFAOYSA-N	0	2	212.277	3.072	10	5		BGBELN
O=[N+]([O-])c1cc(-c2cccs2)ccc1O	ZINC000095494857	187288172	/nfs/dbraw/zinc/28/81/72/187288172.db2.gz	OGNSTPMEXAKAGE-UHFFFAOYSA-N	0	2	221.237	3.029	10	5		BGBELN
O=[N+]([O-])c1cc(-c2ccsc2)ccc1O	ZINC000095494858	188320545	/nfs/dbraw/zinc/32/05/45/188320545.db2.gz	USRMJQNKCPPNJA-UHFFFAOYSA-N	0	2	221.237	3.029	10	5		BGBELN
Cc1ccccc1-c1ccc(O)c([N+](=O)[O-])c1	ZINC000095494859	179235487	/nfs/dbraw/zinc/23/54/87/179235487.db2.gz	WZXXCEOLPQANBH-UHFFFAOYSA-N	0	2	229.235	3.276	10	5		BGBELN
Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000095494861	178325535	/nfs/dbraw/zinc/32/55/35/178325535.db2.gz	QQAWTUBGOPTJAC-UHFFFAOYSA-N	0	2	229.235	3.276	10	5		BGBELN
O=[N+]([O-])c1cc(-c2ccccc2F)ccc1O	ZINC000095494865	187974325	/nfs/dbraw/zinc/97/43/25/187974325.db2.gz	QYEHKWYEOKPYMB-UHFFFAOYSA-N	0	2	233.198	3.107	10	5		BGBELN
O=[N+]([O-])c1cc(-c2cccc(F)c2)ccc1O	ZINC000095494866	187287628	/nfs/dbraw/zinc/28/76/28/187287628.db2.gz	CEOJFYFIHGZEMV-UHFFFAOYSA-N	0	2	233.198	3.107	10	5		BGBELN
Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)c(F)c1	ZINC000095494884	178325300	/nfs/dbraw/zinc/32/53/00/178325300.db2.gz	QPOVSEADUFZTGS-UHFFFAOYSA-N	0	2	247.225	3.415	10	5		BGBELN
Cc1ccc2cc3cccc(C(=O)[O-])c3[nH+]c2c1	ZINC000584635648	358319924	/nfs/dbraw/zinc/31/99/24/358319924.db2.gz	JEJAZXIAGVXGIP-UHFFFAOYSA-N	0	2	237.258	3.395	10	5		BGBELN
Cc1cccc2[nH+]c3c(cccc3C(=O)[O-])cc12	ZINC000584635661	358319919	/nfs/dbraw/zinc/31/99/19/358319919.db2.gz	OQVNTZRMYWAPFW-UHFFFAOYSA-N	0	2	237.258	3.395	10	5		BGBELN