smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCO[P@](=O)([O-])[C@@H](N[C@@H](CS)C(=O)[O-])c1ccccc1O	ZINC000073197466	216362556	/nfs/dbraw/zinc/36/25/56/216362556.db2.gz	DNVXNOAVYRTSSQ-GXSJLCMTSA-N	-2	0	335.318	1.585	1	30		EDEFRL
O=C([O-])c1ccc2c(c1)C(=NNc1ccccc1C(=O)[O-])C(=O)N2	ZINC000040425072	213302384	/nfs/dbraw/zinc/30/23/84/213302384.db2.gz	CUGFLOKHGAUBLN-UHFFFAOYSA-N	-2	0	325.280	1.851	1	30		EDEFRL
O=C([O-])c1ccccc1NC=C1CCCn2c(=O)c(C(=O)[O-])cnc21	ZINC000100770607	219105706	/nfs/dbraw/zinc/10/57/06/219105706.db2.gz	ZOZHSHLUMZCLAO-QGMBQPNBSA-N	-2	0	341.323	1.493	1	30		EDEFRL
N#Cc1ccc(NC(=O)[C@H](CCC(=O)[O-])[N-]C(=O)C(F)(F)F)cc1	ZINC000027314310	202154157	/nfs/dbraw/zinc/15/41/57/202154157.db2.gz	BVKPTAWUJKLCEO-JTQLQIEISA-N	-2	0	343.261	1.409	1	30		EDEFRL
CCO[P@](=O)([O-])[C@H](N[C@@H](CS)C(=O)[O-])c1ccccc1O	ZINC000073197465	216362450	/nfs/dbraw/zinc/36/24/50/216362450.db2.gz	DNVXNOAVYRTSSQ-ONGXEEELSA-N	-2	0	335.318	1.585	1	30		EDEFRL