smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1c(=O)c2ccc([O-])cc2[n-]c1-c1cccc(-c2ccccc2)c1	ZINC000095554566	211276987	/nfs/dbraw/zinc/27/69/87/211276987.db2.gz	ORGMUXKFFBVKET-UHFFFAOYSA-N	-2	1	385.419	4.744	1	0		GJAFML
COc1c(Cl)c([O-])c2c(=O)c(-c3ccc([O-])c(Cl)c3)coc2c1Cl	ZINC000013451751	291141218	/nfs/dbraw/zinc/14/12/18/291141218.db2.gz	REXBVZLBTQFFQZ-UHFFFAOYSA-N	-2	1	387.602	4.840	1	0	biogenic,in-vitro	GJAFML
CC(C)=CCC/C(C)=C\CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000013507240	560217633	/nfs/dbraw/zinc/21/76/33/560217633.db2.gz	VWFJDQUYCIWHTN-GNESMGCMSA-N	-2	1	382.330	4.632	1	0	in-vitro	GJAFML
CC(C)=CCC/C(C)=C\CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013507240	560217632	/nfs/dbraw/zinc/21/76/32/560217632.db2.gz	VWFJDQUYCIWHTN-GNESMGCMSA-N	-2	1	382.330	4.632	1	0	in-vitro	GJAFML
Cc1cc(OCP(=O)([O-])[O-])cc(C)c1Cc1ccc(O)c(-c2ccccc2)c1	ZINC000045495210	581093012	/nfs/dbraw/zinc/09/30/12/581093012.db2.gz	GDGHGXAILIZPNP-UHFFFAOYSA-N	-2	1	398.395	4.781	1	0		GJAFML
Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])c(C)c1	ZINC000013589565	221275578	/nfs/dbraw/zinc/27/55/78/221275578.db2.gz	RDJAWWYVMFGZHT-UHFFFAOYSA-N	-2	1	387.482	4.531	1	0		GJAFML
CC(C)=CCC/C(C)=C\CC/C(C)=C/COC[P@](=O)([O-])C[P@](=O)([O-])O	ZINC000027657338	207329006	/nfs/dbraw/zinc/32/90/06/207329006.db2.gz	NQSFGDNIHNVCHW-KKYJLSSQSA-N	-2	1	394.385	4.785	1	0	in-vitro	GJAFML
CC(C)C[C@@H]1c2c(O)c(C=O)c(O)c(C=O)c2O[C@]2(C)C=C[C@H](C(C)C)C[C@H]12	ZINC000000899569	574411091	/nfs/dbraw/zinc/41/10/91/574411091.db2.gz	GCAXPYWXIWWHHT-GRDTXPOLSA-N	-2	1	386.488	4.852	1	0	endogenous,in-man	GJAFML