smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CC[NH3+])C[C@@H]3O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1F	ZINC000003945596	561689882	/nfs/dbraw/zinc/68/98/82/561689882.db2.gz	CKXIPXAIFMTQCS-LRDUUELOSA-N	0	3	633.578	-0.117	10	10	in-man	KBCEHN
C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2ccccc2C4=O)C[C@H]([NH3+])[C@@H]1O	ZINC000004216818	561694483	/nfs/dbraw/zinc/69/44/83/561694483.db2.gz	XVXGYZFARCOVHS-BINOZUKVSA-N	0	3	513.499	-0.007	10	10	in-man	KBCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000077292098	571360964	/nfs/dbraw/zinc/36/09/64/571360964.db2.gz	NKZRZOVSJNSBFR-VVOUGKEESA-N	0	3	545.541	-0.207	10	10	in-vitro	KBCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000077292102	571360966	/nfs/dbraw/zinc/36/09/66/571360966.db2.gz	NKZRZOVSJNSBFR-SQQBCDDESA-N	0	3	545.541	-0.207	10	10	in-vitro	KBCEHN