smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013513381	545642320	/nfs/dbraw/zinc/64/23/20/545642320.db2.gz	BRGMHAYQAZFZDJ-JAJWTYFOSA-N	-1	2	301.188	-2.120	50	30	in-vivo,metabolite	DAEALM
CC(=O)N[C@H]1[C@H](O)O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013513381	545642323	/nfs/dbraw/zinc/64/23/23/545642323.db2.gz	BRGMHAYQAZFZDJ-JAJWTYFOSA-N	-1	2	301.188	-2.120	50	30	in-vivo,metabolite	DAEALM
O=C1[N-]C(=O)/C(=N\NC(=S)N(CCO)CCO)C(=O)N1	ZINC000001882523	545658459	/nfs/dbraw/zinc/65/84/59/545658459.db2.gz	FOCDBURTATVXCF-UHFFFAOYSA-N	-1	2	303.300	-3.131	50	30		DAEALM
O=C1[N-]C(=O)/C(=N/NC(=S)N(CCO)CCO)C(=O)N1	ZINC000001882523	545658467	/nfs/dbraw/zinc/65/84/67/545658467.db2.gz	FOCDBURTATVXCF-UHFFFAOYSA-N	-1	2	303.300	-3.131	50	30		DAEALM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@@H]1O	ZINC000030725927	409323358	/nfs/dbraw/zinc/32/33/58/409323358.db2.gz	BRGMHAYQAZFZDJ-CBQIKETKSA-N	-1	2	301.188	-2.120	50	30	in-vitro,metabolite	DAEALM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@@H]1O	ZINC000030725927	409323365	/nfs/dbraw/zinc/32/33/65/409323365.db2.gz	BRGMHAYQAZFZDJ-CBQIKETKSA-N	-1	2	301.188	-2.120	50	30	in-vitro,metabolite	DAEALM