smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]ncn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000040379718	174250092	/nfs/dbraw/zinc/25/00/92/174250092.db2.gz	JADCKEVLFYMKEW-KVTDHHQDSA-N	-1	2	297.160	-2.700	1	0		CAAFLM
O=c1[nH]ncn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000040379718	174250094	/nfs/dbraw/zinc/25/00/94/174250094.db2.gz	JADCKEVLFYMKEW-KVTDHHQDSA-N	-1	2	297.160	-2.700	1	0		CAAFLM
CC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004096392	560194045	/nfs/dbraw/zinc/19/40/45/560194045.db2.gz	QIIZYFWCULOBMW-DBRKOABJSA-N	-1	2	274.162	-2.872	1	0	in-vitro	CAAFLM
CC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004096392	560194046	/nfs/dbraw/zinc/19/40/46/560194046.db2.gz	QIIZYFWCULOBMW-DBRKOABJSA-N	-1	2	274.162	-2.872	1	0	in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004096187	560193804	/nfs/dbraw/zinc/19/38/04/560193804.db2.gz	NBSCHQHZLSJFNQ-RUTHBDMASA-N	-1	2	260.135	-3.104	1	0	in-vitro	CAAFLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004096187	560193805	/nfs/dbraw/zinc/19/38/05/560193805.db2.gz	NBSCHQHZLSJFNQ-RUTHBDMASA-N	-1	2	260.135	-3.104	1	0	in-vitro	CAAFLM
CC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000004096391	560194096	/nfs/dbraw/zinc/19/40/96/560194096.db2.gz	QIIZYFWCULOBMW-XZBKPIIZSA-N	-1	2	274.162	-2.872	1	0	in-vitro	CAAFLM
CC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000004096391	560194098	/nfs/dbraw/zinc/19/40/98/560194098.db2.gz	QIIZYFWCULOBMW-XZBKPIIZSA-N	-1	2	274.162	-2.872	1	0	in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000004097070	560194409	/nfs/dbraw/zinc/19/44/09/560194409.db2.gz	GACTWZZMVMUKNG-DPYQTVNSSA-N	-1	2	262.151	-3.468	1	0	in-vitro,metabolite	CAAFLM
O=[P@@]([O-])(O)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000004097070	560194411	/nfs/dbraw/zinc/19/44/11/560194411.db2.gz	GACTWZZMVMUKNG-DPYQTVNSSA-N	-1	2	262.151	-3.468	1	0	in-vitro,metabolite	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869808	574412086	/nfs/dbraw/zinc/41/20/86/574412086.db2.gz	JDTUMPKOJBQPKX-BDVNFPICSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869808	574412087	/nfs/dbraw/zinc/41/20/87/574412087.db2.gz	JDTUMPKOJBQPKX-BDVNFPICSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000030320729	574413984	/nfs/dbraw/zinc/41/39/84/574413984.db2.gz	JDTUMPKOJBQPKX-ZTYPAOSTSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000030320729	574413985	/nfs/dbraw/zinc/41/39/85/574413985.db2.gz	JDTUMPKOJBQPKX-ZTYPAOSTSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000104865737	186029529	/nfs/dbraw/zinc/02/95/29/186029529.db2.gz	JDTUMPKOJBQPKX-AXMZGBSTSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000104865737	186029530	/nfs/dbraw/zinc/02/95/30/186029530.db2.gz	JDTUMPKOJBQPKX-AXMZGBSTSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
Cn1cc[n+](CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000038682975	174152140	/nfs/dbraw/zinc/15/21/40/174152140.db2.gz	KDSMLBFWYPXGMX-UHFFFAOYSA-O	-1	2	287.125	-1.686	1	0		CAAFLM
Cn1cc[n+](CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000038682975	174152141	/nfs/dbraw/zinc/15/21/41/174152141.db2.gz	KDSMLBFWYPXGMX-UHFFFAOYSA-O	-1	2	287.125	-1.686	1	0		CAAFLM
O=C1OC(=CCn2c(=O)[nH]c(=O)[nH]c2=O)C([O-])=C1O	ZINC000072171021	176333168	/nfs/dbraw/zinc/33/31/68/176333168.db2.gz	SEJZCBSFUKUTMN-IWQZZHSRSA-N	-1	2	269.169	-2.007	1	0		CAAFLM
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100351814	574417264	/nfs/dbraw/zinc/41/72/64/574417264.db2.gz	JDTUMPKOJBQPKX-JWXFUTCRSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000100351814	574417265	/nfs/dbraw/zinc/41/72/65/574417265.db2.gz	JDTUMPKOJBQPKX-JWXFUTCRSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
Cn1cc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000038815858	174156454	/nfs/dbraw/zinc/15/64/54/174156454.db2.gz	NXRHFOZZMMRPLL-UHFFFAOYSA-O	-1	2	271.126	-1.006	1	0		CAAFLM
Cn1cc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000038815858	174156456	/nfs/dbraw/zinc/15/64/56/174156456.db2.gz	NXRHFOZZMMRPLL-UHFFFAOYSA-O	-1	2	271.126	-1.006	1	0		CAAFLM
O=c1ccn(COCCO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000045291142	175353909	/nfs/dbraw/zinc/35/39/09/175353909.db2.gz	QQXODIYVVBVZDS-UHFFFAOYSA-N	-1	2	266.146	-1.380	1	0		CAAFLM
O=c1ccn(COCCO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000045291142	175353910	/nfs/dbraw/zinc/35/39/10/175353910.db2.gz	QQXODIYVVBVZDS-UHFFFAOYSA-N	-1	2	266.146	-1.380	1	0		CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000030320725	574413978	/nfs/dbraw/zinc/41/39/78/574413978.db2.gz	JDTUMPKOJBQPKX-BNHYGAARSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000030320725	574413979	/nfs/dbraw/zinc/41/39/79/574413979.db2.gz	JDTUMPKOJBQPKX-BNHYGAARSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100351818	574417247	/nfs/dbraw/zinc/41/72/47/574417247.db2.gz	JDTUMPKOJBQPKX-BWBBJGPYSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000100351818	574417248	/nfs/dbraw/zinc/41/72/48/574417248.db2.gz	JDTUMPKOJBQPKX-BWBBJGPYSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003869396	560190490	/nfs/dbraw/zinc/19/04/90/560190490.db2.gz	NBSCHQHZLSJFNQ-GKFJPSPNSA-N	-1	2	260.135	-3.104	1	0	in-vitro,metabolite	CAAFLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000003869396	560190491	/nfs/dbraw/zinc/19/04/91/560190491.db2.gz	NBSCHQHZLSJFNQ-GKFJPSPNSA-N	-1	2	260.135	-3.104	1	0	in-vitro,metabolite	CAAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	ZINC000008551620	560209353	/nfs/dbraw/zinc/20/93/53/560209353.db2.gz	NBSCHQHZLSJFNQ-RXRWUWDJSA-N	-1	2	260.135	-3.104	1	0	in-vitro	CAAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	ZINC000008551620	560209354	/nfs/dbraw/zinc/20/93/54/560209354.db2.gz	NBSCHQHZLSJFNQ-RXRWUWDJSA-N	-1	2	260.135	-3.104	1	0	in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012502130	560212462	/nfs/dbraw/zinc/21/24/62/560212462.db2.gz	SDADNVAZGVDAIM-KLJZZCKASA-N	-1	2	290.161	-3.744	1	0	in-vitro	CAAFLM
O=[P@@]([O-])(O)OC[C@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000012502130	560212464	/nfs/dbraw/zinc/21/24/64/560212464.db2.gz	SDADNVAZGVDAIM-KLJZZCKASA-N	-1	2	290.161	-3.744	1	0	in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000015273183	560230111	/nfs/dbraw/zinc/23/01/11/560230111.db2.gz	CBIDVWSRUUODHL-CXNFULCWSA-N	-1	2	290.161	-3.742	1	0	in-vitro	CAAFLM
O=[P@@]([O-])(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000015273183	560230113	/nfs/dbraw/zinc/23/01/13/560230113.db2.gz	CBIDVWSRUUODHL-CXNFULCWSA-N	-1	2	290.161	-3.742	1	0	in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869807	574412083	/nfs/dbraw/zinc/41/20/83/574412083.db2.gz	JDTUMPKOJBQPKX-MVIOUDGNSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869807	574412084	/nfs/dbraw/zinc/41/20/84/574412084.db2.gz	JDTUMPKOJBQPKX-MVIOUDGNSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000056871166	574415287	/nfs/dbraw/zinc/41/52/87/574415287.db2.gz	JDTUMPKOJBQPKX-DBRKOABJSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000056871166	574415288	/nfs/dbraw/zinc/41/52/88/574415288.db2.gz	JDTUMPKOJBQPKX-DBRKOABJSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000104869509	186030038	/nfs/dbraw/zinc/03/00/38/186030038.db2.gz	JDTUMPKOJBQPKX-YTLHQDLWSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000104869509	186030040	/nfs/dbraw/zinc/03/00/40/186030040.db2.gz	JDTUMPKOJBQPKX-YTLHQDLWSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000104869514	186030096	/nfs/dbraw/zinc/03/00/96/186030096.db2.gz	JDTUMPKOJBQPKX-UCROKIRRSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000104869514	186030097	/nfs/dbraw/zinc/03/00/97/186030097.db2.gz	JDTUMPKOJBQPKX-UCROKIRRSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000008551509	170339979	/nfs/dbraw/zinc/33/99/79/170339979.db2.gz	NBSCHQHZLSJFNQ-TVIMKVIFSA-N	-1	2	260.135	-3.104	1	0		CAAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000008551509	170339980	/nfs/dbraw/zinc/33/99/80/170339980.db2.gz	NBSCHQHZLSJFNQ-TVIMKVIFSA-N	-1	2	260.135	-3.104	1	0		CAAFLM
C[C@H](O)[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000034248033	571750074	/nfs/dbraw/zinc/75/00/74/571750074.db2.gz	WXVIGTAUZBUDPZ-APQOSEDMSA-N	-1	2	256.262	-1.770	1	0	endogenous,in-man	CAAFLM
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000008551136	574412858	/nfs/dbraw/zinc/41/28/58/574412858.db2.gz	JDTUMPKOJBQPKX-VZFHVOOUSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000008551136	574412859	/nfs/dbraw/zinc/41/28/59/574412859.db2.gz	JDTUMPKOJBQPKX-VZFHVOOUSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100351825	574417253	/nfs/dbraw/zinc/41/72/53/574417253.db2.gz	JDTUMPKOJBQPKX-JRTVQGFMSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM
O=C(CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000100351825	574417254	/nfs/dbraw/zinc/41/72/54/574417254.db2.gz	JDTUMPKOJBQPKX-JRTVQGFMSA-N	-1	2	290.161	-3.899	1	0	endogenous,in-vitro	CAAFLM