smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@]1(c2cccc(C(F)(F)F)c2)C=NC(=O)C=C1[O-]	ZINC000306121018	376538483	/nfs/dbraw/zinc/53/84/83/376538483.db2.gz	BCEVLAMCZSDZQL-GFCCVEGCSA-N	-2	1	299.204	2.081	2	30		CEEFML
C[C@@H](SC1=C([O-])C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000028464452	171559235	/nfs/dbraw/zinc/55/92/35/171559235.db2.gz	NGSMLHUNNFKPFM-ZCFIWIBFSA-N	-2	1	278.285	2.042	1	30		CEEFML
O=C([O-])[C@]1(c2cccc(C(F)(F)F)c2)C=NC(=O)C=C1[O-]	ZINC000306121019	376537631	/nfs/dbraw/zinc/53/76/31/376537631.db2.gz	BCEVLAMCZSDZQL-LBPRGKRZSA-N	-2	1	299.204	2.081	2	30		CEEFML
C=C(CCCC)CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000040688948	174375950	/nfs/dbraw/zinc/37/59/50/174375950.db2.gz	WAKMOFCXZVCZQV-UHFFFAOYSA-N	-3	1	288.173	2.349	1	30		CEEFML
C=C(CCCC)CCO[P@@](=O)([O-])OP(=O)([O-])O	ZINC000040688948	174375951	/nfs/dbraw/zinc/37/59/51/174375951.db2.gz	WAKMOFCXZVCZQV-UHFFFAOYSA-N	-2	1	288.173	2.349	1	30		CEEFML
C=C(CCCC)CCO[P@](=O)([O-])OP(=O)([O-])O	ZINC000040688948	174375952	/nfs/dbraw/zinc/37/59/52/174375952.db2.gz	WAKMOFCXZVCZQV-UHFFFAOYSA-N	-2	1	288.173	2.349	1	30		CEEFML
C=C(CCCC)CCOP(=O)([O-])O[P@@](=O)([O-])O	ZINC000040688948	174375953	/nfs/dbraw/zinc/37/59/53/174375953.db2.gz	WAKMOFCXZVCZQV-UHFFFAOYSA-N	-2	1	288.173	2.349	1	30		CEEFML
C=C(CCCC)CCOP(=O)([O-])O[P@](=O)([O-])O	ZINC000040688948	174375954	/nfs/dbraw/zinc/37/59/54/174375954.db2.gz	WAKMOFCXZVCZQV-UHFFFAOYSA-N	-2	1	288.173	2.349	1	30		CEEFML