smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)ccc2c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000059627220	554415604	/nfs/dbraw/zinc/41/56/04/554415604.db2.gz	HUCWKFXZFQVNGY-UHFFFAOYSA-N	-2	2	556.574	3.846	50	0		KHAALL
O=P([O-])(O)COc1ccccc1OCCOc1ccccc1OCCOc1ccccc1OC[P@@](=O)([O-])O	ZINC000110282425	1066492844	/nfs/dbraw/zinc/49/28/44/1066492844.db2.gz	LOSRDQMOKAZQEU-UHFFFAOYSA-N	-2	2	570.424	3.630	50	0		KHAALL
O=P([O-])(O)COc1ccccc1OCCOc1ccccc1OCCOc1ccccc1OC[P@](=O)([O-])O	ZINC000110282425	1066492805	/nfs/dbraw/zinc/49/28/05/1066492805.db2.gz	LOSRDQMOKAZQEU-UHFFFAOYSA-N	-2	2	570.424	3.630	50	0		KHAALL
COc1ccc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1C[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000150622232	571523398	/nfs/dbraw/zinc/52/33/98/571523398.db2.gz	QTGGYEPVYZNWEI-NRFANRHFSA-N	-2	2	636.800	3.942	50	0		KHAALL