smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC=O)c(=O)[nH]1	ZINC000008220068	571691851	/nfs/dbraw/zinc/69/18/51/571691851.db2.gz	NDXMRXXKCCKQQV-UUOKFMHZSA-N	-3	2	541.196	-1.816	10	30	endogenous,in-man	KAEELL
Nc1nc(N[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(NC=O)c(=O)[nH]1	ZINC000008220068	571691849	/nfs/dbraw/zinc/69/18/49/571691849.db2.gz	NDXMRXXKCCKQQV-UUOKFMHZSA-N	-3	2	541.196	-1.816	10	30	endogenous,in-man	KAEELL
Nc1nc(=O)c(NC=O)c(N[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)[nH]1	ZINC000008220068	571691846	/nfs/dbraw/zinc/69/18/46/571691846.db2.gz	NDXMRXXKCCKQQV-UUOKFMHZSA-N	-3	2	541.196	-1.816	10	30	endogenous,in-man	KAEELL
Nc1nc(=O)c(NC=O)c(N[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)[nH]1	ZINC000008220068	571691842	/nfs/dbraw/zinc/69/18/42/571691842.db2.gz	NDXMRXXKCCKQQV-UUOKFMHZSA-N	-3	2	541.196	-1.816	10	30	endogenous,in-man	KAEELL
C[NH+](C)[C@@H]1C([O-])=C(C(=O)N[C@@H](C(=O)[O-])N2CC[NH+](CCO)CC2)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000040163232	562073152	/nfs/dbraw/zinc/07/31/52/562073152.db2.gz	HRWVXKVRSNICJQ-KTHLRIJYSA-N	-3	2	630.651	-1.563	10	30	in-man	KAEELL