smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1ccccc1O	ZINC001219923102	780277450	/nfs/dbraw/zinc/27/74/50/780277450.db2.gz	BJXMQHZESGKUMI-WPRPVWTQSA-N	0	1	281.312	-1.167	20	10		CACDMN
N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)c1ccc([O-])c(O)c1	ZINC001220489891	780352814	/nfs/dbraw/zinc/35/28/14/780352814.db2.gz	KVXVMLLACARNDE-IUCAKERBSA-N	0	1	279.296	-1.057	20	10		CACDMN
O=C(CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([O-])c(O)c1	ZINC001220490012	780353157	/nfs/dbraw/zinc/35/31/57/780353157.db2.gz	PLVHKHCGBILPNT-PELKAZGASA-N	0	1	280.280	-1.023	20	10		CACDMN
O=C(CNC(=O)[C@H]1C[NH2+]C[C@H]1O)c1ccc([O-])c(O)c1	ZINC001220490014	780353891	/nfs/dbraw/zinc/35/38/91/780353891.db2.gz	PLVHKHCGBILPNT-QPUJVOFHSA-N	0	1	280.280	-1.023	20	10		CACDMN
O=C(CN1C(=O)CSC1=S)NCc1nn[nH]n1	ZINC001144848548	781466141	/nfs/dbraw/zinc/46/61/41/781466141.db2.gz	QTJKHFAGQRGJLL-UHFFFAOYSA-N	0	1	272.315	-1.324	20	10		CACDMN
O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1O)c1ccc([O-])c(O)c1	ZINC001220490013	780352974	/nfs/dbraw/zinc/35/29/74/780352974.db2.gz	PLVHKHCGBILPNT-PRHODGIISA-N	0	1	280.280	-1.023	20	10		CACDMN
O=C(CNC(=O)[C@H]1C[NH2+]C[C@@H]1O)c1ccc([O-])c(O)c1	ZINC001220490015	780353934	/nfs/dbraw/zinc/35/39/34/780353934.db2.gz	PLVHKHCGBILPNT-UFBFGSQYSA-N	0	1	280.280	-1.023	20	10		CACDMN