smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@H]1[C@H](NCc2ccccc2[N+](=O)[O-])O[C@H](OC(=O)O)[C@H]1OC(C)=O	ZINC000032106649	570248798	/nfs/dbraw/zinc/24/87/98/570248798.db2.gz	OIDBRBPUHSLPGN-LXTVHRRPSA-N	0	2	398.324	0.925	10	5		GCBELN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000512311373	1192601984	/nfs/dbraw/zinc/60/19/84/1192601984.db2.gz	ACOFQYLEUWHVLB-UHFFFAOYSA-N	0	2	376.413	0.975	10	5		GCBELN
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1O	ZINC000436977353	1195052081	/nfs/dbraw/zinc/05/20/81/1195052081.db2.gz	FMARUMVNYVFQQQ-UHFFFAOYSA-N	0	2	376.413	0.975	10	5		GCBELN