smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000001529188	375164635	/nfs/dbraw/zinc/16/46/35/375164635.db2.gz	LNQVTSROQXJCDD-DEGSGYPDSA-N	-2	0	347.224	-1.863	40	0		EAABRL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000001532515	201055343	/nfs/dbraw/zinc/05/53/43/201055343.db2.gz	UDMBCSSLTHHNCD-DEGSGYPDSA-N	-2	0	347.224	-1.863	40	0	in-vitro	EAABRL
Nc1ncn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000001560705	374237046	/nfs/dbraw/zinc/23/70/46/374237046.db2.gz	YXKYJBZIZFOEPY-HGOUYRHRSA-N	-2	0	347.224	-1.911	40	0		EAABRL
Cc1cc(C)c(Cn2c(=O)[n-][nH]c2=O)cc1Cn1c(=O)[n-][nH]c1=O	ZINC000001571948	374237647	/nfs/dbraw/zinc/23/76/47/374237647.db2.gz	GKZQIXGFFCXKKF-UHFFFAOYSA-N	-2	0	332.320	-1.244	40	0		EAABRL
NC(=O)c1csc([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)n1	ZINC000001579707	374236942	/nfs/dbraw/zinc/23/69/42/374236942.db2.gz	XDDGVTBJYGSVPM-WNJXEPBRSA-N	-2	0	340.250	-1.487	40	0		EAABRL
O=S(=O)([O-])CCNC(=S)C(=S)NCCS(=O)(=O)[O-]	ZINC000001759661	209789651	/nfs/dbraw/zinc/78/96/51/209789651.db2.gz	AATGZJNACTTWRT-UHFFFAOYSA-N	-2	0	336.438	-1.404	40	0		EAABRL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000002046931	374540674	/nfs/dbraw/zinc/54/06/74/374540674.db2.gz	UDMBCSSLTHHNCD-SXVXDFOESA-N	-2	0	347.224	-1.863	40	0		EAABRL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000002558195	374750947	/nfs/dbraw/zinc/75/09/47/374750947.db2.gz	XALREVCCJXUVAL-DEGSGYPDSA-N	-2	0	348.208	-2.152	40	0		EAABRL
NC(=O)c1ncn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1N	ZINC000003869390	210080445	/nfs/dbraw/zinc/08/04/45/210080445.db2.gz	NOTGFIUVDGNKRI-PXMDKTAGSA-N	-2	0	338.213	-2.707	40	0	in-vitro,metabolite	EAABRL
NC(=O)c1ncn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1N	ZINC000003869391	210080590	/nfs/dbraw/zinc/08/05/90/210080590.db2.gz	NOTGFIUVDGNKRI-HAVMAKPUSA-N	-2	0	338.213	-2.707	40	0	in-vitro,metabolite	EAABRL
NC(=O)c1ncn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c1N	ZINC000003869392	374238940	/nfs/dbraw/zinc/23/89/40/374238940.db2.gz	NOTGFIUVDGNKRI-HFXAWCPLSA-N	-2	0	338.213	-2.707	40	0	in-vitro,metabolite	EAABRL
NC(=O)c1ncn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c1N	ZINC000003869393	210080977	/nfs/dbraw/zinc/08/09/77/210080977.db2.gz	NOTGFIUVDGNKRI-FULWYAMNSA-N	-2	0	338.213	-2.707	40	0	in-vitro,metabolite	EAABRL
O=P([O-])([O-])OC[C@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003869914	375225029	/nfs/dbraw/zinc/22/50/29/375225029.db2.gz	RNBGYGVWRKECFJ-VANKVMQKSA-N	-4	0	340.114	-2.986	40	0	endogenous,in-man	EAABRL
O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003869915	374239876	/nfs/dbraw/zinc/23/98/76/374239876.db2.gz	RNBGYGVWRKECFJ-BXKVDMCESA-N	-4	0	340.114	-2.986	40	0		EAABRL
O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003869917	374239600	/nfs/dbraw/zinc/23/96/00/374239600.db2.gz	RNBGYGVWRKECFJ-FSIIMWSLSA-N	-4	0	340.114	-2.986	40	0		EAABRL
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000003875881	210082157	/nfs/dbraw/zinc/08/21/57/210082157.db2.gz	HFEKDTCAMMOLQP-RRKCRQDMSA-N	-2	0	326.173	-1.567	40	0	world	EAABRL
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003977897	210095066	/nfs/dbraw/zinc/09/50/66/210095066.db2.gz	UDMBCSSLTHHNCD-CRKDRTNXSA-N	-2	0	347.224	-1.863	40	0	in-man	EAABRL
O=C([O-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	ZINC000004095572	210119749	/nfs/dbraw/zinc/11/97/49/210119749.db2.gz	JOUIQRNQJGXQDC-ZYUZMQFOSA-O	-2	0	336.213	-1.599	40	0	in-man,metabolite	EAABRL
O=P([O-])([O-])OC[C@H]1O[C@@](CO)(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000004228295	374241254	/nfs/dbraw/zinc/24/12/54/374241254.db2.gz	YXWOAJXNVLXPMU-ZXXMMSQZSA-N	-4	0	340.114	-2.986	40	0	endogenous,in-man	EAABRL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000004353761	374241204	/nfs/dbraw/zinc/24/12/04/374241204.db2.gz	GRSZFWQUAKGDAV-PERBPWGJSA-N	-2	0	348.208	-2.152	40	0		EAABRL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000004513857	374241323	/nfs/dbraw/zinc/24/13/23/374241323.db2.gz	QDFHPFSBQFLLSW-WDHZHIADSA-N	-2	0	347.224	-1.863	40	0		EAABRL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000004513860	374240875	/nfs/dbraw/zinc/24/08/75/374240875.db2.gz	QDFHPFSBQFLLSW-HGOUYRHRSA-N	-2	0	347.224	-1.863	40	0		EAABRL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000004513863	210210065	/nfs/dbraw/zinc/21/00/65/210210065.db2.gz	QDFHPFSBQFLLSW-HUEBKHCJSA-N	-2	0	347.224	-1.863	40	0		EAABRL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000004513866	210209947	/nfs/dbraw/zinc/20/99/47/210209947.db2.gz	QDFHPFSBQFLLSW-PERBPWGJSA-N	-2	0	347.224	-1.863	40	0		EAABRL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000004523251	210213766	/nfs/dbraw/zinc/21/37/66/210213766.db2.gz	XPYBSIWDXQFNMH-ZXEDONINSA-N	-4	0	340.114	-3.143	40	0		EAABRL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000004523255	374241508	/nfs/dbraw/zinc/24/15/08/374241508.db2.gz	XPYBSIWDXQFNMH-PQLUHFTBSA-N	-4	0	340.114	-3.143	40	0	in-vivo	EAABRL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000004523257	210213370	/nfs/dbraw/zinc/21/33/70/210213370.db2.gz	XPYBSIWDXQFNMH-OTWZMJIISA-N	-4	0	340.114	-3.143	40	0		EAABRL
Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)[nH]1	ZINC000004543681	210219476	/nfs/dbraw/zinc/21/94/76/210219476.db2.gz	QQMSZHORHNORLP-HCWXCVPCSA-N	-2	0	347.224	-1.541	40	0		EAABRL
Nc1nc2c(ncn2[C@H]2C[C@@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)[nH]1	ZINC000004543684	210219302	/nfs/dbraw/zinc/21/93/02/210219302.db2.gz	QQMSZHORHNORLP-NGJCXOISSA-N	-2	0	347.224	-1.541	40	0		EAABRL
O=c1cnn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000004705961	210255366	/nfs/dbraw/zinc/25/53/66/210255366.db2.gz	LRVZOSYMNMNQFR-HJEFZAFNSA-N	-3	0	325.170	-3.340	40	0		EAABRL
O=c1cnn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000004705962	374240738	/nfs/dbraw/zinc/24/07/38/374240738.db2.gz	LRVZOSYMNMNQFR-UISOVIGQSA-N	-3	0	325.170	-3.340	40	0		EAABRL
O=c1cnn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000004705963	210254678	/nfs/dbraw/zinc/25/46/78/210254678.db2.gz	LRVZOSYMNMNQFR-CDGOZMSNSA-N	-3	0	325.170	-3.340	40	0		EAABRL
O=c1cnn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000004705964	374241278	/nfs/dbraw/zinc/24/12/78/374241278.db2.gz	LRVZOSYMNMNQFR-HTPUFBNKSA-N	-3	0	325.170	-3.340	40	0		EAABRL
CO[C@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)[O-])[C@@H](O)S(=O)(=O)[O-]	ZINC000005052353	210375354	/nfs/dbraw/zinc/37/53/54/210375354.db2.gz	DLJVRBPNTDBJJO-OMMKOOBNSA-N	-2	0	326.301	-3.251	40	0		EAABRL
CO[C@@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)[O-])[C@@H](O)S(=O)(=O)[O-]	ZINC000005052354	374243481	/nfs/dbraw/zinc/24/34/81/374243481.db2.gz	DLJVRBPNTDBJJO-BXKVDMCESA-N	-2	0	326.301	-3.251	40	0		EAABRL
CO[C@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)[O-])[C@H](O)S(=O)(=O)[O-]	ZINC000005052355	374243586	/nfs/dbraw/zinc/24/35/86/374243586.db2.gz	DLJVRBPNTDBJJO-UNTFVMJOSA-N	-2	0	326.301	-3.251	40	0		EAABRL
CO[C@@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)[O-])[C@H](O)S(=O)(=O)[O-]	ZINC000005052356	210376102	/nfs/dbraw/zinc/37/61/02/210376102.db2.gz	DLJVRBPNTDBJJO-AZGQCCRYSA-N	-2	0	326.301	-3.251	40	0		EAABRL
Nc1ncn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2ncnc1-2	ZINC000005250137	374242889	/nfs/dbraw/zinc/24/28/89/374242889.db2.gz	YXKYJBZIZFOEPY-WDHZHIADSA-N	-2	0	347.224	-1.911	40	0		EAABRL
Nc1ncn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250138	374243283	/nfs/dbraw/zinc/24/32/83/374243283.db2.gz	YXKYJBZIZFOEPY-HUEBKHCJSA-N	-2	0	347.224	-1.911	40	0		EAABRL
Nc1ncn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c2ncnc1-2	ZINC000005250139	374243448	/nfs/dbraw/zinc/24/34/48/374243448.db2.gz	YXKYJBZIZFOEPY-PERBPWGJSA-N	-2	0	347.224	-1.911	40	0		EAABRL
NC(=O)c1csc([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)n1	ZINC000005461003	374242721	/nfs/dbraw/zinc/24/27/21/374242721.db2.gz	XDDGVTBJYGSVPM-BDVNFPICSA-N	-2	0	340.250	-1.487	40	0		EAABRL
NC(=O)c1csc([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)n1	ZINC000005461009	374242514	/nfs/dbraw/zinc/24/25/14/374242514.db2.gz	XDDGVTBJYGSVPM-VZFHVOOUSA-N	-2	0	340.250	-1.487	40	0		EAABRL
NC(=O)c1csc([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)n1	ZINC000005461011	374243847	/nfs/dbraw/zinc/24/38/47/374243847.db2.gz	XDDGVTBJYGSVPM-BNHYGAARSA-N	-2	0	340.250	-1.487	40	0		EAABRL
O=S(=O)([O-])C1C[C@@H](S(=O)(=O)[O-])N[C@@H](S(=O)(=O)[O-])C1	ZINC000005496338	304768049	/nfs/dbraw/zinc/76/80/49/304768049.db2.gz	TWCKTOPIQHDKGX-NVGWPGHNSA-N	-3	0	325.342	-1.946	40	0		EAABRL
O=S(=O)([O-])C1C[C@@H](S(=O)(=O)[O-])N[C@H](S(=O)(=O)[O-])C1	ZINC000005496339	304768050	/nfs/dbraw/zinc/76/80/50/304768050.db2.gz	TWCKTOPIQHDKGX-RFZPGFLSSA-N	-3	0	325.342	-1.946	40	0		EAABRL
O=S(=O)([O-])C1C[C@H](S(=O)(=O)[O-])N[C@@H](S(=O)(=O)[O-])C1	ZINC000005496340	304768046	/nfs/dbraw/zinc/76/80/46/304768046.db2.gz	TWCKTOPIQHDKGX-WHFBIAKZSA-N	-3	0	325.342	-1.946	40	0		EAABRL
Nc1ccn([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)O[C@H]2O)c(=O)n1	ZINC000005811818	374245231	/nfs/dbraw/zinc/24/52/31/374245231.db2.gz	RQYFOSYRHSPBRR-YDLFOAGRSA-N	-2	0	339.197	-2.514	40	0		EAABRL
Nc1ccn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)O[C@H]2O)c(=O)n1	ZINC000005811821	374245052	/nfs/dbraw/zinc/24/50/52/374245052.db2.gz	RQYFOSYRHSPBRR-VXUIKNBNSA-N	-2	0	339.197	-2.514	40	0		EAABRL
O=C([O-])[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000005944151	210565141	/nfs/dbraw/zinc/56/51/41/210565141.db2.gz	CBXLSTDTEWONFD-UWVGGRQHSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=C([O-])[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC000005944152	374245899	/nfs/dbraw/zinc/24/58/99/374245899.db2.gz	CBXLSTDTEWONFD-AOOOYVTPSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=C([O-])[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C(=O)[O-])c1	ZINC000005944156	374246223	/nfs/dbraw/zinc/24/62/23/374246223.db2.gz	CBXLSTDTEWONFD-NXEZZACHSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=C([O-])[C@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000005944693	374521800	/nfs/dbraw/zinc/52/18/00/374521800.db2.gz	NUOVFKCEGMHKTG-UWVGGRQHSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=C([O-])[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000005944694	374521890	/nfs/dbraw/zinc/52/18/90/374521890.db2.gz	NUOVFKCEGMHKTG-AOOOYVTPSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=C([O-])[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000005944698	374521950	/nfs/dbraw/zinc/52/19/50/374521950.db2.gz	NUOVFKCEGMHKTG-NXEZZACHSA-N	-2	0	340.288	-1.963	40	0		EAABRL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000008613164	375184128	/nfs/dbraw/zinc/18/41/28/375184128.db2.gz	GRSZFWQUAKGDAV-GAWUUDPSSA-N	-2	0	348.208	-1.740	40	0		EAABRL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000008614392	374419990	/nfs/dbraw/zinc/41/99/90/374419990.db2.gz	GRSZFWQUAKGDAV-HGOUYRHRSA-N	-2	0	348.208	-2.152	40	0		EAABRL
O=C([O-])c1nn(-c2ccccc2-c2n[nH]c(=O)[n-]c2=O)c(=O)[n-]c1=O	ZINC000008830787	211009225	/nfs/dbraw/zinc/00/92/25/211009225.db2.gz	IXKGNNQTJQVGKK-UHFFFAOYSA-N	-3	0	344.243	-1.118	40	0	in-vitro	EAABRL
O=C([O-])/C=C/C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000012176516	211310239	/nfs/dbraw/zinc/31/02/39/211310239.db2.gz	ICZJUCYXCXMUFC-KVHBAYEWSA-N	-2	0	346.317	-2.334	40	0		EAABRL
O=C([O-])/C=C/C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000012176518	211311000	/nfs/dbraw/zinc/31/10/00/211311000.db2.gz	ICZJUCYXCXMUFC-ZWVMUIANSA-N	-2	0	346.317	-2.334	40	0		EAABRL
O=C([O-])/C=C/C(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)/C=C/C(=O)[O-]	ZINC000012176520	211310540	/nfs/dbraw/zinc/31/05/40/211310540.db2.gz	ICZJUCYXCXMUFC-VNEGEBPZSA-N	-2	0	346.317	-2.334	40	0		EAABRL
O=P([O-])([O-])OC[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012502703	374253720	/nfs/dbraw/zinc/25/37/20/374253720.db2.gz	RWHOZGRAXYWRNX-DVKNGEFBSA-N	-4	0	340.114	-2.987	40	0	in-vitro	EAABRL
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000013424933	375194337	/nfs/dbraw/zinc/19/43/37/375194337.db2.gz	QDFHPFSBQFLLSW-KMPDEGCQSA-N	-2	0	347.224	-1.863	40	0		EAABRL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)C2(F)F)c(=O)n1	ZINC000013516753	374256257	/nfs/dbraw/zinc/25/62/57/374256257.db2.gz	KNTREFQOVSMROS-QPPQHZFASA-N	-2	0	343.179	-1.172	40	0	in-vitro	EAABRL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000013518964	374255244	/nfs/dbraw/zinc/25/52/44/374255244.db2.gz	UDMBCSSLTHHNCD-FCIPNVEPSA-N	-2	0	347.224	-1.863	40	0	in-vitro	EAABRL
O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000013536447	374955650	/nfs/dbraw/zinc/95/56/50/374955650.db2.gz	MCKAJXMRULSUKI-FTYOSCRSSA-N	-4	0	340.114	-3.601	40	0	in-vitro	EAABRL
O=S(=O)([O-])N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)[O-]	ZINC000013537156	374256396	/nfs/dbraw/zinc/25/63/96/374256396.db2.gz	AJBMJMMLWNUEAC-QZABAPFNSA-N	-2	0	339.300	-3.994	40	0		EAABRL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000013549616	374256170	/nfs/dbraw/zinc/25/61/70/374256170.db2.gz	XALREVCCJXUVAL-KQYNXXCUSA-N	-2	0	348.208	-1.740	40	0	in-vitro	EAABRL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000014951284	374541697	/nfs/dbraw/zinc/54/16/97/374541697.db2.gz	GRSZFWQUAKGDAV-FCIPNVEPSA-N	-2	0	348.208	-2.152	40	0	in-vivo	EAABRL
O=C([O-])C[NH+](CCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022052182	212274310	/nfs/dbraw/zinc/27/43/10/212274310.db2.gz	SLVOVFVZZFUEAS-UHFFFAOYSA-N	-2	0	336.297	-2.055	40	0	in-vitro	EAABRL
O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000025722344	374327045	/nfs/dbraw/zinc/32/70/45/374327045.db2.gz	RNBGYGVWRKECFJ-AZGQCCRYSA-N	-4	0	340.114	-2.986	40	0		EAABRL
O=P([O-])([O-])OC[C@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000044168755	375159057	/nfs/dbraw/zinc/15/90/57/375159057.db2.gz	RNBGYGVWRKECFJ-MOJAZDJTSA-N	-4	0	340.114	-2.986	40	0		EAABRL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000096347624	375199595	/nfs/dbraw/zinc/19/95/95/375199595.db2.gz	HBLDEJIWUSWMBO-NFNBNWGISA-N	-2	0	333.197	-1.906	40	0		EAABRL
O=P([O-])([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000100016173	374735880	/nfs/dbraw/zinc/73/58/80/374735880.db2.gz	PUVHMWJJTITUGO-SLWYWOEDSA-N	-4	0	340.114	-3.601	40	0	in-vitro	EAABRL
O=P([O-])([O-])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000100016181	374345608	/nfs/dbraw/zinc/34/56/08/374345608.db2.gz	PUVHMWJJTITUGO-FICORBCRSA-N	-4	0	340.114	-3.601	40	0	endogenous,in-man	EAABRL
O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000100017679	374736348	/nfs/dbraw/zinc/73/63/48/374736348.db2.gz	PUVHMWJJTITUGO-PTQMNWPWSA-N	-4	0	340.114	-3.601	40	0	in-vitro	EAABRL
O=P([O-])([O-])O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000100079962	374346254	/nfs/dbraw/zinc/34/62/54/374346254.db2.gz	PUVHMWJJTITUGO-UOTPTPDRSA-N	-4	0	340.114	-3.601	40	0		EAABRL
O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100096885	374809260	/nfs/dbraw/zinc/80/92/60/374809260.db2.gz	PUVHMWJJTITUGO-ZSIQDKGESA-N	-4	0	340.114	-3.601	40	0	in-vitro	EAABRL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000584578831	374823398	/nfs/dbraw/zinc/82/33/98/374823398.db2.gz	XALREVCCJXUVAL-HUEBKHCJSA-N	-3	0	348.208	-1.740	40	0		EAABRL