smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCCCCC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000003783411	562927951	/nfs/dbraw/zinc/92/79/51/562927951.db2.gz	JZKYRYHDRAPIEL-ZMLAXJCCSA-N	-2	2	450.493	6.428	1	0		JKAFLL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCCCCCC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000003783411	562927952	/nfs/dbraw/zinc/92/79/52/562927952.db2.gz	JZKYRYHDRAPIEL-ZMLAXJCCSA-N	-2	2	450.493	6.428	1	0		JKAFLL
CC(C)=CCC/C(C)=C/CC(Cc1cccc(CC=C(C)C)c1)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000059085301	563208814	/nfs/dbraw/zinc/20/88/14/563208814.db2.gz	IQMRLGNZZHRYPW-XSFVSMFZSA-N	-2	2	470.483	5.872	1	0		JKAFLL
CC(C)=CCC/C(C)=C/CC(Cc1cccc(CC=C(C)C)c1)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000059085301	563208815	/nfs/dbraw/zinc/20/88/15/563208815.db2.gz	IQMRLGNZZHRYPW-XSFVSMFZSA-N	-2	2	470.483	5.872	1	0		JKAFLL
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)[P@](=O)([O-])O)cc3n2)c1	ZINC000029047908	563092570	/nfs/dbraw/zinc/09/25/70/563092570.db2.gz	NSFPAXHJZWJVLM-GQCTYLIASA-N	-2	2	484.189	5.093	1	0		JKAFLL
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)[P@@](=O)([O-])O)cc3n2)c1	ZINC000029047908	563092571	/nfs/dbraw/zinc/09/25/71/563092571.db2.gz	NSFPAXHJZWJVLM-GQCTYLIASA-N	-2	2	484.189	5.093	1	0		JKAFLL
O=P([O-])(O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)[P@](=O)([O-])O	ZINC000040972375	563161360	/nfs/dbraw/zinc/16/13/60/563161360.db2.gz	HOUGVWVFZPBNCB-UHFFFAOYSA-N	-2	2	494.031	5.137	1	0	in-vitro	JKAFLL
O=P([O-])(O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)[P@@](=O)([O-])O	ZINC000040972375	563161362	/nfs/dbraw/zinc/16/13/62/563161362.db2.gz	HOUGVWVFZPBNCB-UHFFFAOYSA-N	-2	2	494.031	5.137	1	0	in-vitro	JKAFLL