smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)CC3)c2)CC1	ZINC000059463841	568955587	/nfs/dbraw/zinc/95/55/87/568955587.db2.gz	CFELMXURISKLJZ-GOSISDBHSA-N	1	0	423.514	-0.162	40	5		HBBBRO
COC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)CC3)c2)CC1	ZINC000059463842	568955565	/nfs/dbraw/zinc/95/55/65/568955565.db2.gz	CFELMXURISKLJZ-SFHVURJKSA-N	1	0	423.514	-0.162	40	5		HBBBRO
C[C@H]([NH3+])C(=O)NCC(=O)N1C(=O)CCC(=O)[C@]1(C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000064219439	569046320	/nfs/dbraw/zinc/04/63/20/569046320.db2.gz	APUJKAWERGNSLR-XTZNXHDOSA-N	1	0	419.394	-0.527	40	5		HBBBRO