smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC(=O)Nc1ccc(CP(=O)([O-])[O-])cc1	ZINC000072116867	176318801	/nfs/dbraw/zinc/31/88/01/176318801.db2.gz	MDWDUQKGQWYHMH-UHFFFAOYSA-N	-2	3	299.307	3.273	1	0		CGAFHL
O=c1cc(C2CCCCC2)oc2cc([O-])cc([O-])c12	ZINC000006523947	170209860	/nfs/dbraw/zinc/20/98/60/170209860.db2.gz	GBLQCGXEHXKBKR-UHFFFAOYSA-N	-2	3	260.289	3.252	1	0		CGAFHL
O=P([O-])([O-])Cc1ccc(-c2ccc(Cl)cc2)cn1	ZINC000072109641	176317219	/nfs/dbraw/zinc/31/72/19/176317219.db2.gz	VMLOBMRXVOIQQC-UHFFFAOYSA-N	-2	3	283.651	3.080	1	0		CGAFHL
O=c1cc(-c2ccc(F)c(F)c2)oc2cc([O-])cc([O-])c12	ZINC000072177688	176334039	/nfs/dbraw/zinc/33/40/39/176334039.db2.gz	BRBZAOQGHDVSQA-UHFFFAOYSA-N	-2	3	290.221	3.149	1	0		CGAFHL
COc1ccccc1-c1coc2cc([O-])c(C)c([O-])c2c1=O	ZINC000014815046	560226517	/nfs/dbraw/zinc/22/65/17/560226517.db2.gz	MNTFQBBYPKFUJE-UHFFFAOYSA-N	-2	3	298.294	3.188	1	0	biogenic,in-vitro	CGAFHL
COc1cc(C)c2c3cc(O)cc(C(=O)[O-])c3oc2c1[O-]	ZINC000006521580	571691075	/nfs/dbraw/zinc/69/10/75/571691075.db2.gz	YRDAFVVZXCAVIU-UHFFFAOYSA-N	-2	3	288.255	3.012	1	0	endogenous,in-man	CGAFHL