smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000085537017	562753166	/nfs/dbraw/zinc/75/31/66/562753166.db2.gz	PAEBIVWUMLRPSK-IDTAVKCVSA-N	-4	0	776.366	2.851	10	0	fda	KFAERL
CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@@H](C)C(=O)[O-])[C@H](CNc1ccc(-c3nc(=O)o[n-]3)cc1)N2C	ZINC000100065998	554199806	/nfs/dbraw/zinc/19/98/06/554199806.db2.gz	HKERFCWHGLCFNR-WPKWZQBGSA-N	-2	0	545.600	2.867	10	0		KFAERL
CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@H](C)C(=O)[O-])[C@H](CNc1ccc(-c3nc(=O)o[n-]3)cc1)N2C	ZINC000101706466	554831530	/nfs/dbraw/zinc/83/15/30/554831530.db2.gz	HKERFCWHGLCFNR-JBJWRWJZSA-N	-2	0	545.600	2.867	10	0		KFAERL
CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-])[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000150655609	574419423	/nfs/dbraw/zinc/41/94/23/574419423.db2.gz	UVBUBMSSQKOIBE-LDQFSZHDSA-N	-3	0	721.838	2.564	10	0	endogenous,in-man	KFAERL
CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-])[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)[NH3+])OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000253987411	574049123	/nfs/dbraw/zinc/04/91/23/574049123.db2.gz	UVBUBMSSQKOIBE-HSGZOVJYSA-N	-3	0	721.838	2.564	10	0	endogenous,in-man	KFAERL
CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-])[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000253987413	574421813	/nfs/dbraw/zinc/42/18/13/574421813.db2.gz	UVBUBMSSQKOIBE-NNAUFQFXSA-N	-3	0	721.838	2.564	10	0	endogenous,in-man	KFAERL
CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)[O-])C(=O)[O-])[C@H](C[C@H](C)C[C@H](O)CCCC[C@H](O)C[C@H](O)[C@@H](C)[NH3+])OC(=O)C[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000253987414	574421816	/nfs/dbraw/zinc/42/18/16/574421816.db2.gz	UVBUBMSSQKOIBE-YZZWLSMESA-N	-3	0	721.838	2.564	10	0	endogenous,in-man	KFAERL