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](O)[C@H](O)CO	ZINC000001529672	560180972	/nfs/dbraw/zinc/18/09/72/560180972.db2.gz	QRDCEYBRRFPBMZ-QWWZWVQMSA-N	-1	2	202.099	-2.190	1	0	in-vitro	BAAFLM
O=[P@]([O-])(O)OC[C@@H](O)[C@H](O)CO	ZINC000001529672	560180970	/nfs/dbraw/zinc/18/09/70/560180970.db2.gz	QRDCEYBRRFPBMZ-QWWZWVQMSA-N	-1	2	202.099	-2.190	1	0	in-vitro	BAAFLM
O=c1cnn(CC=CC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001647362	183008784	/nfs/dbraw/zinc/00/87/84/183008784.db2.gz	ACXAVPIQKKPRPO-OWOJBTEDSA-N	-1	2	247.147	-1.335	1	0		BAAFLM
[NH3+][C@H](CCC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000003870044	560190595	/nfs/dbraw/zinc/19/05/95/560190595.db2.gz	PJRXVIJAERNUIP-GSVOUGTGSA-N	-1	2	227.109	-1.186	1	0	in-vitro	BAAFLM
[NH3+][C@H](CCC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000003870044	560190593	/nfs/dbraw/zinc/19/05/93/560190593.db2.gz	PJRXVIJAERNUIP-GSVOUGTGSA-N	-1	2	227.109	-1.186	1	0	in-vitro	BAAFLM
O=[P@@]([O-])(O)OC[C@H]1OC[C@H](O)[C@@H]1O	ZINC000005850787	560203540	/nfs/dbraw/zinc/20/35/40/560203540.db2.gz	CYZZKTRFOOKUMT-LMVFSUKVSA-N	-1	2	214.110	-1.784	1	0	in-vitro	BAAFLM
O=[P@]([O-])(O)OC[C@H]1OC[C@H](O)[C@@H]1O	ZINC000005850787	560203539	/nfs/dbraw/zinc/20/35/39/560203539.db2.gz	CYZZKTRFOOKUMT-LMVFSUKVSA-N	-1	2	214.110	-1.784	1	0	in-vitro	BAAFLM
O=[P@@]([O-])(O)OC[C@H](O)[C@@H](O)CO	ZINC000005975492	560204059	/nfs/dbraw/zinc/20/40/59/560204059.db2.gz	QRDCEYBRRFPBMZ-IMJSIDKUSA-N	-1	2	202.099	-2.190	1	0	in-vitro	BAAFLM
O=[P@]([O-])(O)OC[C@H](O)[C@@H](O)CO	ZINC000005975492	560204057	/nfs/dbraw/zinc/20/40/57/560204057.db2.gz	QRDCEYBRRFPBMZ-IMJSIDKUSA-N	-1	2	202.099	-2.190	1	0	in-vitro	BAAFLM
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000013536606	560218901	/nfs/dbraw/zinc/21/89/01/560218901.db2.gz	ZCDHQTZAGLCRPK-BXKVDMCESA-N	-1	2	246.152	-2.441	1	0	in-vitro,metabolite	BAAFLM
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000013536606	560218900	/nfs/dbraw/zinc/21/89/00/560218900.db2.gz	ZCDHQTZAGLCRPK-BXKVDMCESA-N	-1	2	246.152	-2.441	1	0	in-vitro,metabolite	BAAFLM
C[NH2+]CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000027201457	173342848	/nfs/dbraw/zinc/34/28/48/173342848.db2.gz	APAXCKPITWPINA-UHFFFAOYSA-N	-1	2	249.096	-1.403	1	0		BAAFLM
C[NH2+]CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000027201457	173342847	/nfs/dbraw/zinc/34/28/47/173342847.db2.gz	APAXCKPITWPINA-UHFFFAOYSA-N	-1	2	249.096	-1.403	1	0		BAAFLM
CCC(=O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000028385987	168252657	/nfs/dbraw/zinc/25/26/57/168252657.db2.gz	IUHZTKMKBAVOCN-PHDIDXHHSA-N	-1	2	228.137	-1.203	1	0		BAAFLM
CCC(=O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000028385987	168252654	/nfs/dbraw/zinc/25/26/54/168252654.db2.gz	IUHZTKMKBAVOCN-PHDIDXHHSA-N	-1	2	228.137	-1.203	1	0		BAAFLM
O=c1ccn(CCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000045298466	183003531	/nfs/dbraw/zinc/00/35/31/183003531.db2.gz	DTVQZMXFZQIULD-UHFFFAOYSA-N	-1	2	236.120	-1.354	1	0		BAAFLM
O=c1ccn(CCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000045298466	183003530	/nfs/dbraw/zinc/00/35/30/183003530.db2.gz	DTVQZMXFZQIULD-UHFFFAOYSA-N	-1	2	236.120	-1.354	1	0		BAAFLM
O=[P@@]([O-])(O)N(CCO)C[C@@H](O)CO	ZINC000012493453	574412976	/nfs/dbraw/zinc/41/29/76/574412976.db2.gz	FRMZOWIQVCBEAC-RXMQYKEDSA-N	-1	2	215.142	-2.273	2	0	endogenous,in-man	BAAFLM
O=[P@]([O-])(O)N(CCO)C[C@@H](O)CO	ZINC000012493453	574412975	/nfs/dbraw/zinc/41/29/75/574412975.db2.gz	FRMZOWIQVCBEAC-RXMQYKEDSA-N	-1	2	215.142	-2.273	2	0	endogenous,in-man	BAAFLM
O=[P@@]([O-])(O)N(CCO)C[C@H](O)CO	ZINC000012493457	574412986	/nfs/dbraw/zinc/41/29/86/574412986.db2.gz	FRMZOWIQVCBEAC-YFKPBYRVSA-N	-1	2	215.142	-2.273	2	0	endogenous,in-man	BAAFLM
O=[P@]([O-])(O)N(CCO)C[C@H](O)CO	ZINC000012493457	574412985	/nfs/dbraw/zinc/41/29/85/574412985.db2.gz	FRMZOWIQVCBEAC-YFKPBYRVSA-N	-1	2	215.142	-2.273	2	0	endogenous,in-man	BAAFLM