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)OC[C@H]1O[C@@H](n2cc(Br)c(=O)[n-]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000013361609	519756791	/nfs/dbraw/zinc/75/67/91/519756791.db2.gz	OVWGEZUVGHETAU-GFQSEFKGSA-N	-1	3	449.210	-0.377	10	0		IBAEHM
CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C1	ZINC000038514101	569463119	/nfs/dbraw/zinc/46/31/19/569463119.db2.gz	XDVUICJRQISSRL-KTEHNTIYSA-N	-1	3	449.456	-0.887	10	0	in-vitro	IBAEHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)O[C@@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3	ZINC000084732398	291307377	/nfs/dbraw/zinc/30/73/77/291307377.db2.gz	KHWKLNXMSVVKCH-BQLFOJHWSA-N	-1	3	438.429	-0.294	10	0		IBAEHM