smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncn(C[C@H](CO)OCP(=O)([O-])[O-])c(=O)n1	ZINC000035259977	172092047	/nfs/dbraw/zinc/09/20/47/172092047.db2.gz	JEYKGEGRFZIHCQ-RXMQYKEDSA-N	-2	1	280.177	-2.267	1	0		CAAFML
O=C([O-])C[C@@H](C(=O)[O-])N1C[P@](=O)([O-])CC1=O	ZINC000045347208	175361060	/nfs/dbraw/zinc/36/10/60/175361060.db2.gz	LJIIOYZIUZTSEE-BYPYZUCNSA-N	-3	1	251.131	-1.016	1	0		CAAFML
O=C([O-])C[C@H](NC(=O)C[P@@](=O)([O-])CCO)C(=O)[O-]	ZINC000045347712	175361253	/nfs/dbraw/zinc/36/12/53/175361253.db2.gz	WGSOYNWHEMIIPU-YFKPBYRVSA-N	-3	1	283.173	-1.707	1	0		CAAFML
O=C([O-])C[C@H](NC(=O)C[P@](=O)([O-])CC(=O)[O-])C(=O)[O-]	ZINC000045352632	175361550	/nfs/dbraw/zinc/36/15/50/175361550.db2.gz	PEEDSLMOZKNZER-BYPYZUCNSA-N	-4	1	297.156	-1.615	1	0		CAAFML
O=C([O-])C[C@H](NC(=O)OC[P@@](=O)([O-])O)C(=O)[O-]	ZINC000045352644	175361641	/nfs/dbraw/zinc/36/16/41/175361641.db2.gz	AINHJPYNUAGCNL-VKHMYHEASA-N	-3	1	271.118	-1.224	1	0		CAAFML
[NH3+][C@@H](CC[P@](=O)([O-])[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000049125593	527331410	/nfs/dbraw/zinc/33/14/10/527331410.db2.gz	WCHLSNCUKVAGGK-WHFBIAKZSA-N	-3	1	283.173	-1.013	1	0		CAAFML
NC(=NOCC[C@H]([NH3+])C(=O)[O-])N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000040165526	574414657	/nfs/dbraw/zinc/41/46/57/574414657.db2.gz	SGYMGUGIGTWWLU-CRCLSJGQSA-N	-2	1	292.248	-2.238	1	0	endogenous,in-man	CAAFML
O=C([O-])C[C@@H](OC(=O)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005502242	170104944	/nfs/dbraw/zinc/10/49/44/170104944.db2.gz	LXIPYIKQGZJJIL-GSVOUGTGSA-N	-3	1	256.103	-1.365	1	0		CAAFML
Nc1ncnc2nn(CCOCP(=O)([O-])[O-])nc21	ZINC000005941480	170159673	/nfs/dbraw/zinc/15/96/73/170159673.db2.gz	QMENNWTZZUDWCZ-UHFFFAOYSA-N	-2	1	274.177	-1.045	1	0		CAAFML
O=C([O-])[C@@H]([C@H](C(=O)[O-])[P@@](=O)([O-])O)P(=O)([O-])O	ZINC000006006521	170167774	/nfs/dbraw/zinc/16/77/74/170167774.db2.gz	SQCGCSDAPBUORZ-JCYAYHJZSA-N	-4	1	278.046	-1.752	1	0		CAAFML
O=C([O-])[C@H]([C@H](C(=O)[O-])P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000006006524	170167860	/nfs/dbraw/zinc/16/78/60/170167860.db2.gz	SQCGCSDAPBUORZ-XIXRPRMCSA-N	-4	1	278.046	-1.752	1	0		CAAFML
O=C([O-])[C@H]([C@H](C(=O)[O-])[P@@](=O)([O-])O)P(=O)([O-])O	ZINC000006006524	170167863	/nfs/dbraw/zinc/16/78/63/170167863.db2.gz	SQCGCSDAPBUORZ-XIXRPRMCSA-N	-4	1	278.046	-1.752	1	0		CAAFML
O=C([O-])[C@H]([C@H](C(=O)[O-])[P@](=O)([O-])O)P(=O)([O-])O	ZINC000006006524	170167865	/nfs/dbraw/zinc/16/78/65/170167865.db2.gz	SQCGCSDAPBUORZ-XIXRPRMCSA-N	-4	1	278.046	-1.752	1	0		CAAFML
O=C([O-])[C@H]1CN[C@@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H]1O	ZINC000038440550	174142100	/nfs/dbraw/zinc/14/21/00/174142100.db2.gz	UOPZEWVVILIZJY-QTBDOELSSA-N	-2	1	272.179	-1.983	1	0		CAAFML
Cc1nc(N)nc(=O)n1C[C@@H](CO)OCP(=O)([O-])[O-]	ZINC000045336110	175360718	/nfs/dbraw/zinc/36/07/18/175360718.db2.gz	GZPCVWBWELCHCB-LURJTMIESA-N	-2	1	294.204	-1.958	1	0		CAAFML
Nc1ncnc(=O)n1C[C@@H](CO)OCP(=O)([O-])[O-]	ZINC000045339625	175361372	/nfs/dbraw/zinc/36/13/72/175361372.db2.gz	PJLCZNISETZTLV-YFKPBYRVSA-N	-2	1	280.177	-2.267	1	0		CAAFML
O=C([O-])C[C@H](NC(=O)NC[P@@](=O)([O-])O)C(=O)[O-]	ZINC000045375158	175365234	/nfs/dbraw/zinc/36/52/34/175365234.db2.gz	XKICVVMELPMBHX-VKHMYHEASA-N	-3	1	270.134	-1.651	1	0		CAAFML
O=C([O-])C[C@H](NC(=O)C[P@H](=O)CO)C(=O)[O-]	ZINC000045392421	175375477	/nfs/dbraw/zinc/37/54/77/175375477.db2.gz	KALMNLLBQKBWSA-BYPYZUCNSA-N	-2	1	253.147	-1.460	1	0		CAAFML
O=P([O-])([O-])CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000013515086	560218120	/nfs/dbraw/zinc/21/81/20/560218120.db2.gz	WJEZSLBGCUKRIK-ZFYZTMLRSA-N	-2	1	274.162	-3.062	1	0	in-vitro,metabolite	CAAFML
O=P([O-])([O-])OC[C@H]1O[C@@H](N2C=CC=NC2)[C@H](O)[C@@H]1O	ZINC000004096143	560193798	/nfs/dbraw/zinc/19/37/98/560193798.db2.gz	IMMVEDGQFAPQQH-FNCVBFRFSA-N	-2	1	294.200	-1.600	1	0	in-vitro	CAAFML
C[C@H](Cn1cnc(N)nc1=O)OCP(=O)([O-])[O-]	ZINC000035259972	172091751	/nfs/dbraw/zinc/09/17/51/172091751.db2.gz	IDSOVUSDCVUOLN-RXMQYKEDSA-N	-2	1	264.178	-1.239	1	0		CAAFML
Cc1nc(N)n(C[C@@H](CO)OCP(=O)([O-])[O-])c(=O)n1	ZINC000045336349	175360926	/nfs/dbraw/zinc/36/09/26/175360926.db2.gz	YMQDCKOYIOZGBS-LURJTMIESA-N	-2	1	294.204	-1.958	1	0		CAAFML
NC(=NOCC[C@H]([NH3+])C(=O)[O-])N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013382915	571700213	/nfs/dbraw/zinc/70/02/13/571700213.db2.gz	SGYMGUGIGTWWLU-WHFBIAKZSA-N	-2	1	292.248	-2.238	1	0	endogenous,in-man	CAAFML