smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=COCC(=O)COP(=O)([O-])[O-]	38190810	571753315	/nfs/dbraw/zinc/75/33/15/571753315.db2.gz	IWFZHMQFZRLGDQ-UHFFFAOYSA-N	-2	0	198.067	-1.162	1	0	endogenous,in-man	AAAFRL
O=C([O-])CC[C@H](O)[C@H](O)C(=O)[O-]	69480561	574415426	/nfs/dbraw/zinc/41/54/26/574415426.db2.gz	ZTXIVKBKOYCSAF-UCORVYFPSA-N	-2	0	178.140	-1.342	1	0	endogenous,in-vitro	AAAFRL
O=C([O-])C(O)C(O)[C@@H](O)C(=O)[O-]	69488913	574416558	/nfs/dbraw/zinc/41/65/58/574416558.db2.gz	GHKQVVAQARCHEO-NHYDCYSISA-N	-2	0	180.112	-1.364	1	0	endogenous,in-vitro	AAAFRL
O=C([O-])C(O)C(O)[C@H](O)C(=O)[O-]	100389640	574418488	/nfs/dbraw/zinc/41/84/88/574418488.db2.gz	GHKQVVAQARCHEO-LWMBPPNESA-N	-2	0	180.112	-1.364	1	0	endogenous,in-vitro	AAAFRL
[NH2+]=C(CP(=O)([O-])[O-])NCC(=O)[O-]	25978973	169136065	/nfs/dbraw/zinc/13/60/65/169136065.db2.gz	PJTLWMQGQOBZDB-UHFFFAOYSA-N	-2	0	196.099	-1.184	1	0		AAAFRL
N[C@@H](C(=O)[O-])C(=O)OS(=O)(=O)[O-]	12502550	169242384	/nfs/dbraw/zinc/24/23/84/169242384.db2.gz	RZIKAUMRZOEFET-SFOWXEAESA-N	-2	0	199.140	-2.256	1	0	in-vivo	AAAFRL
N[C@@H](OP(=O)([O-])[O-])C(=O)[O-]	9970438	169248288	/nfs/dbraw/zinc/24/82/88/169248288.db2.gz	WAOSMHXGNYKMCF-SFOWXEAESA-N	-3	0	171.045	-1.535	1	0		AAAFRL
N[C@H](C(=O)[O-])C(=O)OS(=O)(=O)[O-]	34930892	169261982	/nfs/dbraw/zinc/26/19/82/169261982.db2.gz	RZIKAUMRZOEFET-PVQJCKRUSA-N	-2	0	199.140	-2.256	1	0	in-vitro	AAAFRL
N[C@H](OP(=O)([O-])[O-])C(=O)[O-]	9970439	169269188	/nfs/dbraw/zinc/26/91/88/169269188.db2.gz	WAOSMHXGNYKMCF-PVQJCKRUSA-N	-3	0	171.045	-1.535	1	0		AAAFRL
O=C([O-])/C=C(\C(=O)[O-])[C@H](O)C(=O)[O-]	5178360	169334497	/nfs/dbraw/zinc/33/44/97/169334497.db2.gz	WUUVSJBKHXDKBS-XDSMRRFISA-N	-3	0	190.107	-1.473	1	0	in-vivo	AAAFRL
O=C([O-])C[C@H](C(O)O)[C@@H](O)C(=O)[O-]	95591145	169342959	/nfs/dbraw/zinc/34/29/59/169342959.db2.gz	JDVKWYINTIAYEZ-ZAFYKAAXSA-N	-2	0	194.139	-2.167	1	0		AAAFRL
O=C([O-])[C@@H](O)C[C@H](O)[C@@H](O)C(=O)[O-]	2046847	169346085	/nfs/dbraw/zinc/34/60/85/169346085.db2.gz	WZLURCXZSPTANB-YVZJFKFKSA-N	-2	0	194.139	-2.372	1	0	in-vivo	AAAFRL
O=C([O-])[C@H]1N[C@H]1C(=O)[O-]	13375249	169354687	/nfs/dbraw/zinc/35/46/87/169354687.db2.gz	IFCCPDAHQDGHMH-XIXRPRMCSA-N	-2	0	131.087	-1.504	1	0	in-vitro	AAAFRL
O=C([O-])[C@H]1N[C@@H]1C(=O)[O-]	13375248	169354906	/nfs/dbraw/zinc/35/49/06/169354906.db2.gz	IFCCPDAHQDGHMH-LWMBPPNESA-N	-2	0	131.087	-1.504	1	0	in-vitro	AAAFRL
O=C([O-])c1cc(P(=O)([O-])[O-])[nH]n1	169336182	169356208	/nfs/dbraw/zinc/35/62/08/169356208.db2.gz	GFFKGJJZYZDPJN-UHFFFAOYSA-N	-3	0	192.067	-1.089	1	0		AAAFRL
O=C([O-])[C@H](O)COS(=O)(=O)[O-]	13532377	560218846	/nfs/dbraw/zinc/21/88/46/560218846.db2.gz	WBBSXOGBMVRPSH-UWTATZPHSA-N	-2	0	186.141	-1.749	1	0	in-vitro	AAAFRL