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)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000032296544	291162445	/nfs/dbraw/zinc/16/24/45/291162445.db2.gz	GPYNRGVKMWCYIE-DIKOWXHZSA-N	-2	3	422.386	-0.067	1	0	biogenic,in-vitro	HBAFHL
N[C@@H](Cn1cc(Br)c(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035323735	581101037	/nfs/dbraw/zinc/10/10/37/581101037.db2.gz	KKTBJRLDYITGOV-QMMMGPOBSA-N	-2	3	418.225	-0.008	1	0	in-vitro	HBAFHL
N[C@@H](Cn1cc(Br)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000035323947	581101016	/nfs/dbraw/zinc/10/10/16/581101016.db2.gz	BYXXPKMVBHZYCC-NSHDSACASA-N	-2	3	412.196	-0.069	1	0		HBAFHL