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-])c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000049802265	563204018	/nfs/dbraw/zinc/20/40/18/563204018.db2.gz	DYJJMCQEJOMEAC-JRBASJLZSA-N	1	2	493.472	2.219	1	10		JECFLO
CCN(CC)CC(=O)Nc1ccc(NC(=O)C[NH+](CC)CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000027745972	563051155	/nfs/dbraw/zinc/05/11/55/563051155.db2.gz	JYUXPVMJLJFJBW-UHFFFAOYSA-N	1	2	496.564	2.434	1	10		JECFLO
CCCOCCn1c2cc(-c3ccc(OC)nc3)cnc2nc(NCC[NH+]2CCOCC2)c1=O	ZINC000043122759	563167744	/nfs/dbraw/zinc/16/77/44/563167744.db2.gz	JURNIMBDYZFIHX-UHFFFAOYSA-N	1	2	468.558	2.033	1	10		JECFLO
COc1nc2ccccc2nc1C(=O)Nc1cc(C[NH+]2CCOCC2)c(O)c(N2CCOCC2)c1	ZINC000040564796	563145397	/nfs/dbraw/zinc/14/53/97/563145397.db2.gz	HOLWFUJZACRBDS-UHFFFAOYSA-N	1	2	479.537	2.265	1	10		JECFLO