smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=NNc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C(CO[P@](=O)([O-])O)=C(C=O)C1=O	ZINC000003874721	561684303	/nfs/dbraw/zinc/68/43/03/561684303.db2.gz	PNFZSRRRZNXSMF-MSUUIHNZSA-N	-3	2	511.383	1.426	1	10		KDCFLL
CC1=NC(=NNc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C(CO[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000003874721	561684302	/nfs/dbraw/zinc/68/43/02/561684302.db2.gz	PNFZSRRRZNXSMF-MSUUIHNZSA-N	-3	2	511.383	1.426	1	10		KDCFLL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(CO[P@](=O)([O-])O)=C(C=O)C1=O	ZINC000003995672	561693773	/nfs/dbraw/zinc/69/37/73/561693773.db2.gz	XYBQYEJAMIDMPT-WUKNDPDISA-N	-3	2	511.383	1.426	1	10	in-vivo	KDCFLL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(CO[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000003995672	561693772	/nfs/dbraw/zinc/69/37/72/561693772.db2.gz	XYBQYEJAMIDMPT-WUKNDPDISA-N	-3	2	511.383	1.426	1	10	in-vivo	KDCFLL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(CO[P@](=O)([O-])O)=C(C=O)C1=O	ZINC000013555409	561718588	/nfs/dbraw/zinc/71/85/88/561718588.db2.gz	XYBQYEJAMIDMPT-MSUUIHNZSA-N	-3	2	511.383	1.426	1	10		KDCFLL
CC1=NC(=NNc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])C(CO[P@@](=O)([O-])O)=C(C=O)C1=O	ZINC000013555409	561718586	/nfs/dbraw/zinc/71/85/86/561718586.db2.gz	XYBQYEJAMIDMPT-MSUUIHNZSA-N	-3	2	511.383	1.426	1	10		KDCFLL