smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])([O-])OC[C@H]1O[C@@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013515641	210064611	/nfs/dbraw/zinc/06/46/11/210064611.db2.gz	PQGCEDQWHSBAJP-AIHAYLRMSA-N	-4	1	390.067	-2.231	40	0	in-vitro	GAABML
O=P([O-])([O-])OC[C@H]1O[C@@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000013515641	210064607	/nfs/dbraw/zinc/06/46/07/210064607.db2.gz	PQGCEDQWHSBAJP-AIHAYLRMSA-N	-5	1	390.067	-2.231	40	0	in-vitro	GAABML
O=P([O-])([O-])OC[C@H]1O[C@@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013515641	210064619	/nfs/dbraw/zinc/06/46/19/210064619.db2.gz	PQGCEDQWHSBAJP-AIHAYLRMSA-N	-4	1	390.067	-2.231	40	0	in-vitro	GAABML
O=P([O-])([O-])OC[C@H]1O[C@@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013515641	210064617	/nfs/dbraw/zinc/06/46/17/210064617.db2.gz	PQGCEDQWHSBAJP-AIHAYLRMSA-N	-4	1	390.067	-2.231	40	0	in-vitro	GAABML
O=P([O-])([O-])OC[C@H]1O[C@@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013515641	210064613	/nfs/dbraw/zinc/06/46/13/210064613.db2.gz	PQGCEDQWHSBAJP-AIHAYLRMSA-N	-4	1	390.067	-2.231	40	0	in-vitro	GAABML
[NH3+]CC[NH2+][C@@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000112987836	570262418	/nfs/dbraw/zinc/26/24/18/570262418.db2.gz	GBGYSOHUJQXGIX-QMMMGPOBSA-N	-3	1	393.349	-2.463	40	0		GAABML
[NH3+]CC[NH2+][C@H](CC(=O)[O-])C(CC(=O)[O-])(CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]	ZINC000112987837	570262369	/nfs/dbraw/zinc/26/23/69/570262369.db2.gz	GBGYSOHUJQXGIX-MRVPVSSYSA-N	-3	1	393.349	-2.463	40	0		GAABML