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-])[C@]12C=CC[C@]([N+](=O)[O-])(C[N@@H+](CCO)C1)C2	ZINC000019787313	351351830	/nfs/dbraw/zinc/35/18/30/351351830.db2.gz	TWAADFPRUHACJZ-VHSXEESVSA-N	1	2	257.246	-0.325	40	5		CBBBLO
O=[N+]([O-])[C@]12C=CC[C@]([N+](=O)[O-])(C[N@H+](CCO)C1)C2	ZINC000019787313	351351834	/nfs/dbraw/zinc/35/18/34/351351834.db2.gz	TWAADFPRUHACJZ-VHSXEESVSA-N	1	2	257.246	-0.325	40	5		CBBBLO
O=C(C[NH+](CCO)CCO)Nc1ccc([N+](=O)[O-])cc1	ZINC000005513654	170106600	/nfs/dbraw/zinc/10/66/00/170106600.db2.gz	FPKKQZFDMZRIFZ-UHFFFAOYSA-N	1	2	283.284	-0.180	40	5		CBBBLO
NC(=O)C[C@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000038200512	174136801	/nfs/dbraw/zinc/13/68/01/174136801.db2.gz	SWLBJCDHUQDWGJ-VIFPVBQESA-N	1	2	267.241	-0.159	40	5		CBBBLO
NC(=O)C[C@@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000064219502	351584712	/nfs/dbraw/zinc/58/47/12/351584712.db2.gz	SWLBJCDHUQDWGJ-SECBINFHSA-N	1	2	267.241	-0.159	40	5		CBBBLO