smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC000014860732	560227309	/nfs/dbraw/zinc/22/73/09/560227309.db2.gz	JNWDNAASYHRXMG-RXMQYKEDSA-N	-2	3	306.226	0.753	1	10	in-vitro	DCCFHL
CCO[P@](=O)([O-])[C@@H](N[C@@H](CO)C(=O)[O-])c1ccccc1[O-]	ZINC000073198521	191291790	/nfs/dbraw/zinc/29/17/90/191291790.db2.gz	RCEVIMUPIOPADY-GXSJLCMTSA-N	-3	3	319.250	0.648	1	10		DCCFHL
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c([O-])cccc1C3=O	ZINC000014612165	300644046	/nfs/dbraw/zinc/64/40/46/300644046.db2.gz	SVGOJJZXRJJDLY-VVZYVTSVSA-N	-2	3	318.281	0.931	1	10		DCCFHL
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000005752305	560202856	/nfs/dbraw/zinc/20/28/56/560202856.db2.gz	IRFITFGOKXSNHV-GRJBMBSXSA-N	-2	3	320.297	0.771	1	10	in-vitro	DCCFHL
CCO[P@](=O)([O-])[C@H](N[C@@H](CO)C(=O)[O-])c1ccccc1[O-]	ZINC000073198520	191290954	/nfs/dbraw/zinc/29/09/54/191290954.db2.gz	RCEVIMUPIOPADY-ONGXEEELSA-N	-3	3	319.250	0.648	1	10		DCCFHL
C[C@H]1O[C@@H](CC(=O)[O-])C[C@H]2C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000005736087	560202852	/nfs/dbraw/zinc/20/28/52/560202852.db2.gz	IRFITFGOKXSNHV-ODBOWNMKSA-N	-2	3	320.297	0.771	1	10	in-vitro	DCCFHL
C[C@H]1O[C@@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc([O-])c3C(=O)[C@]12O	ZINC000005736088	560202836	/nfs/dbraw/zinc/20/28/36/560202836.db2.gz	IRFITFGOKXSNHV-AFXPVKSRSA-N	-2	3	320.297	0.771	1	10	in-vitro	DCCFHL
COC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21	ZINC000014860733	560227293	/nfs/dbraw/zinc/22/72/93/560227293.db2.gz	JNWDNAASYHRXMG-YFKPBYRVSA-N	-2	3	306.226	0.753	1	10	biogenic,in-vitro	DCCFHL
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@]23O[C@@]12C(=O)c1c([O-])cccc1C3=O	ZINC000006066994	395682942	/nfs/dbraw/zinc/68/29/42/395682942.db2.gz	SVGOJJZXRJJDLY-IUFZWFJJSA-N	-2	3	318.281	0.931	1	10	in-vitro	DCCFHL
C[C@@H]1O[C@@H](CC(=O)[O-])C[C@H]2C(=O)c3cccc([O-])c3C(=O)[C@@]21O	ZINC000005752304	560202892	/nfs/dbraw/zinc/20/28/92/560202892.db2.gz	IRFITFGOKXSNHV-DWOGJIGDSA-N	-2	3	320.297	0.771	1	10	in-vitro	DCCFHL