smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@H](C[C@H]1OC(=O)NC1=O)C(=O)[O-]	27421517	169267732	/nfs/dbraw/zinc/26/77/32/169267732.db2.gz	DMPPIGQPTQDXLW-PWNYCUMCSA-N	0	2	188.139	-1.577	1	0		AAAFLN
[NH3+][C@H](C[C@@H]1OC(=O)NC1=O)C(=O)[O-]	27421512	169268542	/nfs/dbraw/zinc/26/85/42/169268542.db2.gz	DMPPIGQPTQDXLW-GBXIJSLDSA-N	0	2	188.139	-1.577	1	0		AAAFLN
[NH2+]=C[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	1532497	560181895	/nfs/dbraw/zinc/18/18/95/560181895.db2.gz	PXPUXFCEGUOIKX-QWWZWVQMSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN
[NH2+]=C[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	1532497	560181896	/nfs/dbraw/zinc/18/18/96/560181896.db2.gz	PXPUXFCEGUOIKX-QWWZWVQMSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN
[NH2+]=C[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	4102414	560196936	/nfs/dbraw/zinc/19/69/36/560196936.db2.gz	PXPUXFCEGUOIKX-DMTCNVIQSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN
[NH2+]=C[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	4102414	560196937	/nfs/dbraw/zinc/19/69/37/560196937.db2.gz	PXPUXFCEGUOIKX-DMTCNVIQSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN
[NH3+][C@@H]1CC(=O)N(CC(=O)[O-])C1=O	6293272	560205506	/nfs/dbraw/zinc/20/55/06/560205506.db2.gz	DXYLVSIXCGPUHP-GSVOUGTGSA-N	0	2	172.140	-1.843	1	0	in-vitro	AAAFLN
O=[P@]([O-])(O)OC[C@H]1[NH2+]CC[C@@H]1O	6613563	560206255	/nfs/dbraw/zinc/20/62/55/560206255.db2.gz	MEWWGEMXBXQSAB-UHNVWZDZSA-N	0	2	197.127	-1.182	1	0	in-vitro	AAAFLN
O=[P@@]([O-])(O)OC[C@H]1[NH2+]CC[C@@H]1O	6613563	560206256	/nfs/dbraw/zinc/20/62/56/560206256.db2.gz	MEWWGEMXBXQSAB-UHNVWZDZSA-N	0	2	197.127	-1.182	1	0	in-vitro	AAAFLN
[NH2+]=C[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	8552239	560209442	/nfs/dbraw/zinc/20/94/42/560209442.db2.gz	PXPUXFCEGUOIKX-IMJSIDKUSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN
[NH2+]=C[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	8552239	560209444	/nfs/dbraw/zinc/20/94/44/560209444.db2.gz	PXPUXFCEGUOIKX-IMJSIDKUSA-N	0	2	199.099	-1.533	1	0	in-vitro	AAAFLN