smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/c1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000000895596	304023708	/nfs/dbraw/zinc/02/37/08/304023708.db2.gz	GVRIYIMNJGULCZ-POUAJCPYSA-N	-1	0	326.301	-1.037	1	0	endogenous,in-man	EAAFRM
Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c1C	ZINC000001529923	560181209	/nfs/dbraw/zinc/18/12/09/560181209.db2.gz	SXDXRJZUAJBNFL-OYNCUSHFSA-N	-1	0	326.309	-2.877	1	0	endogenous,in-vitro	EAAFRM
Nc1nc2c(ncn2CO[C@@H](CO)CC[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000001538774	201359332	/nfs/dbraw/zinc/35/93/32/201359332.db2.gz	QVNXYSKNFUJRMI-ZCFIWIBFSA-N	-1	0	333.241	-1.395	1	0		EAAFRM
NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	ZINC000003870106	210081736	/nfs/dbraw/zinc/08/17/36/210081736.db2.gz	DAYLJWODMCOQEW-SJQPAMGKSA-O	-1	0	335.229	-2.199	1	0		EAAFRM
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	ZINC000003870107	210082627	/nfs/dbraw/zinc/08/26/27/210082627.db2.gz	DAYLJWODMCOQEW-YSSBGUOXSA-O	-1	0	335.229	-2.199	1	0		EAAFRM
CC(=O)N[C@@H]1[C@H](O)C[C@H]([P@@](=O)([O-])O)O[C@@H]1[C@H](O)[C@H](O)CO	ZINC000003870394	210081609	/nfs/dbraw/zinc/08/16/09/210081609.db2.gz	QITAGYVZDNZULE-PXSBVEPCSA-N	-1	0	329.242	-3.141	1	0		EAAFRM
[NH3+][C@H](CCC(=O)N[C@H](CSN=O)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003872734	210081482	/nfs/dbraw/zinc/08/14/82/210081482.db2.gz	HYHSBSXUHZOYLX-PHDIDXHHSA-N	-1	0	336.326	-1.721	1	0		EAAFRM
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@@](=O)([O-])O)C[C@@H]2O)c(N)n1	ZINC000003943274	210094659	/nfs/dbraw/zinc/09/46/59/210094659.db2.gz	WMKIVTALDPVUFZ-JKUQZMGJSA-N	-1	0	330.241	-1.356	1	0		EAAFRM
C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)[C@@H](CO)[C@H]2S1(=O)=O	ZINC000003979561	201584964	/nfs/dbraw/zinc/58/49/64/201584964.db2.gz	XPRZVSWHOFCGHP-SZVQBCOZSA-N	-1	0	330.322	-2.305	1	0		EAAFRM
Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c1C	ZINC000004096382	574412177	/nfs/dbraw/zinc/41/21/77/574412177.db2.gz	SXDXRJZUAJBNFL-QXFUBDJGSA-N	-1	0	326.309	-2.877	1	0	endogenous,in-man	EAAFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H]([NH3+])[C@H]1O	ZINC000004097313	560194556	/nfs/dbraw/zinc/19/45/56/560194556.db2.gz	WIVGZDLLXCRANL-GQTRHBFLSA-N	-1	0	346.240	-1.897	1	0	in-vitro	EAAFRM
Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1C	ZINC000008551675	560209368	/nfs/dbraw/zinc/20/93/68/560209368.db2.gz	SXDXRJZUAJBNFL-KHQFGBGNSA-N	-1	0	326.309	-2.877	1	0	endogenous,in-vitro	EAAFRM
Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c1C	ZINC000008551676	560209320	/nfs/dbraw/zinc/20/93/20/560209320.db2.gz	SXDXRJZUAJBNFL-WEDXCCLWSA-N	-1	0	326.309	-2.877	1	0	endogenous,in-vitro	EAAFRM
Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@@H](O)CO)c1C	ZINC000008551677	560209304	/nfs/dbraw/zinc/20/93/04/560209304.db2.gz	SXDXRJZUAJBNFL-NRPADANISA-N	-1	0	326.309	-2.877	1	0	endogenous,in-vitro	EAAFRM
CC(=O)N[C@@H]1[C@@H](O)C[C@@H]([P@@](=O)([O-])O)O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000012504417	211394353	/nfs/dbraw/zinc/39/43/53/211394353.db2.gz	QITAGYVZDNZULE-HMELBQQSSA-N	-1	0	329.242	-3.141	1	0		EAAFRM
CC(=O)N[C@@H]1[C@H](O)C[C@@H]([P@@](=O)([O-])O)O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000012504419	211395440	/nfs/dbraw/zinc/39/54/40/211395440.db2.gz	QITAGYVZDNZULE-BWTWBLBVSA-N	-1	0	329.242	-3.141	1	0		EAAFRM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2O[P@](=O)([O-])O[C@H]21	ZINC000013536330	571703743	/nfs/dbraw/zinc/70/37/43/571703743.db2.gz	SBJVDTBACUMFFD-KQYNXXCUSA-N	-1	0	330.193	-1.106	1	0	endogenous,in-man	EAAFRM
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000013541639	560219238	/nfs/dbraw/zinc/21/92/38/560219238.db2.gz	PVMPDMIKUVNOBD-CIUDSAMLSA-N	-1	0	333.341	-2.119	1	0	in-vitro	EAAFRM
O=C([O-])/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1	ZINC000013542696	290946077	/nfs/dbraw/zinc/94/60/77/290946077.db2.gz	OHEYCHKLBCPRLZ-VHCZEJTMSA-N	-1	0	342.300	-1.331	1	0	biogenic,in-vitro	EAAFRM
CC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000013557371	201900416	/nfs/dbraw/zinc/90/04/16/201900416.db2.gz	KZNYZWWOFXJQAB-DCAQKATOSA-N	-1	0	331.369	-1.396	1	0		EAAFRM
NC(=O)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000013584092	211585687	/nfs/dbraw/zinc/58/56/87/211585687.db2.gz	ODCTUBPUHXFKPX-QMMMGPOBSA-N	-1	0	346.390	-1.051	1	0		EAAFRM
O=C([O-])[C@@H]1C[C@H]2O[C@@]3(C[C@H](O)[C@H](CO)CO3)[C@](O)(CO)[C@H]2[C@H](O)C1	ZINC000014653906	290946238	/nfs/dbraw/zinc/94/62/38/290946238.db2.gz	YCATYHRROQAZDN-SFLVWTQSSA-N	-1	0	348.348	-2.334	1	0	biogenic,in-vitro	EAAFRM
O=C([O-])[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(C[C@H](O)[C@H](CO)CO1)[C@]2(O)CO	ZINC000014653918	290946285	/nfs/dbraw/zinc/94/62/85/290946285.db2.gz	VUTLIYHSSWEGDL-KBIHYEQISA-N	-1	0	332.349	-1.305	1	0	biogenic,in-vitro	EAAFRM
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-]	ZINC000015259902	571737866	/nfs/dbraw/zinc/73/78/66/571737866.db2.gz	YCJXYWPWBLPNQR-RZPZHJGPSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-]	ZINC000015259905	571737789	/nfs/dbraw/zinc/73/77/89/571737789.db2.gz	YCJXYWPWBLPNQR-XEAJTIJJSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-]	ZINC000015259908	571737901	/nfs/dbraw/zinc/73/79/01/571737901.db2.gz	YCJXYWPWBLPNQR-QKSANXASSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-]	ZINC000015259911	571737983	/nfs/dbraw/zinc/73/79/83/571737983.db2.gz	YCJXYWPWBLPNQR-PTEKHOHASA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
O=C([O-])[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000017141798	211956536	/nfs/dbraw/zinc/95/65/36/211956536.db2.gz	GEEUITSLAJGZSK-CNSLEUBMSA-N	-1	0	328.306	-1.663	1	0		EAAFRM
CC(=O)N[C@H]1[C@H](O)C[C@@H]([P@@](=O)([O-])O)O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000021289769	212219766	/nfs/dbraw/zinc/21/97/66/212219766.db2.gz	QITAGYVZDNZULE-WJYNVNEKSA-N	-1	0	329.242	-3.141	1	0		EAAFRM
Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@@H](O)[P@@](=O)([O-])O)[C@@H]1CO	ZINC000026143820	202139188	/nfs/dbraw/zinc/13/91/88/202139188.db2.gz	RFGNCYZHZSYMIC-HQHIISTBSA-N	-1	0	331.225	-1.590	1	0		EAAFRM
O=C([O-])[C@@H]1O[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000026988392	202151299	/nfs/dbraw/zinc/15/12/99/202151299.db2.gz	HYSCPTFKZDAZPL-FOKACVKASA-N	-1	0	333.243	-1.413	1	0		EAAFRM
O=C([O-])[C@@H]1O[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)[C@H](O)[C@H]1O	ZINC000026988399	212543598	/nfs/dbraw/zinc/54/35/98/212543598.db2.gz	HYSCPTFKZDAZPL-CDPPZIPSSA-N	-1	0	333.243	-1.413	1	0		EAAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(C)[C@@H](CO)C(N)=O)S[C@H]12	ZINC000027418709	202154630	/nfs/dbraw/zinc/15/46/30/202154630.db2.gz	GAVKBCWKRILGSB-OZMPGIJFSA-N	-1	0	345.377	-2.027	1	0		EAAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(C)[C@H](CO)C(N)=O)S[C@H]12	ZINC000027418713	202155101	/nfs/dbraw/zinc/15/51/01/202155101.db2.gz	GAVKBCWKRILGSB-ZZENGJLHSA-N	-1	0	345.377	-2.027	1	0		EAAFRM
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)N	ZINC000027519488	202156799	/nfs/dbraw/zinc/15/67/99/202156799.db2.gz	WDDUSOFDSUKVSP-UFGQHTETSA-N	-1	0	334.329	-4.268	1	0		EAAFRM
[NH3+][C@@H](CCC(=O)N1C(=O)SC[C@H]1C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000027524916	212560217	/nfs/dbraw/zinc/56/02/17/212560217.db2.gz	WDTGBOMMBADOCF-WDSKDSINSA-N	-1	0	333.322	-1.557	1	0		EAAFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](S(=O)(=O)[O-])[C@H]1O	ZINC000027548420	212562952	/nfs/dbraw/zinc/56/29/52/212562952.db2.gz	CFDGJMIHCUSHDG-UHTZMRCNSA-N	-1	0	331.310	-2.085	1	0		EAAFRM
NC(=O)CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000027641140	202158954	/nfs/dbraw/zinc/15/89/54/202158954.db2.gz	NFUFLRSHWOMCHO-VIFPVBQESA-N	-1	0	329.334	-1.218	1	0		EAAFRM
NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC000027641831	212570146	/nfs/dbraw/zinc/57/01/46/212570146.db2.gz	KQJIHFPTOLHMBQ-VIFPVBQESA-N	-1	0	345.333	-2.375	1	0		EAAFRM
NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](CO)C(=O)[O-])cc1	ZINC000027641837	202158680	/nfs/dbraw/zinc/15/86/80/202158680.db2.gz	KQJIHFPTOLHMBQ-SECBINFHSA-N	-1	0	345.333	-2.375	1	0		EAAFRM
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](OC[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000027767912	202160064	/nfs/dbraw/zinc/16/00/64/202160064.db2.gz	BCLMGFJGYYTZMW-QYNIQEEDSA-N	-1	0	345.252	-1.082	1	0		EAAFRM
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](OC[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000027767918	202160031	/nfs/dbraw/zinc/16/00/31/202160031.db2.gz	BCLMGFJGYYTZMW-XVMARJQXSA-N	-1	0	345.252	-1.082	1	0		EAAFRM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H]([P@@](=O)([O-])O)O[C@@H]2CO)c(=O)[nH]1	ZINC000028762788	202177186	/nfs/dbraw/zinc/17/71/86/202177186.db2.gz	UIBLKTYKIBXPIF-FSDSQADBSA-N	-1	0	343.236	-1.306	1	0		EAAFRM
Nc1nc2c(ncn2[C@H]2C=C[C@@H]([P@@](=O)([O-])O)O[C@@H]2CO)c(=O)[nH]1	ZINC000028762789	202176352	/nfs/dbraw/zinc/17/63/52/202176352.db2.gz	UIBLKTYKIBXPIF-RRKCRQDMSA-N	-1	0	343.236	-1.306	1	0		EAAFRM
CC(=O)NC[C@H](O)[C@H](O)[C@@H]1OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O	ZINC000029038154	212649171	/nfs/dbraw/zinc/64/91/71/212649171.db2.gz	YRKAPNGJDCSEMY-YOCAVLTLSA-N	-1	0	332.309	-2.923	1	0		EAAFRM
O=C([O-])C[NH2+]CCN1CCN(CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000029053163	202180979	/nfs/dbraw/zinc/18/09/79/202180979.db2.gz	CGKPVFVRGBODQC-UHFFFAOYSA-N	-1	0	346.384	-2.251	1	0		EAAFRM
Nc1nc2c(ncn2[C@@H]2C[C@@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000029056418	202179993	/nfs/dbraw/zinc/17/99/93/202179993.db2.gz	HTKZPJJUTJWHFS-ZCBVHYEASA-N	-1	0	346.325	-2.155	1	0		EAAFRM
Nc1nc2c(ncn2[C@@H]2C[C@H](OS(=O)(=O)[O-])[C@@H](O)[C@H]2O)c(N)n1	ZINC000029056500	202180678	/nfs/dbraw/zinc/18/06/78/202180678.db2.gz	HTKZPJJUTJWHFS-LPWJYYESSA-N	-1	0	346.325	-2.155	1	0		EAAFRM
Nc1nc2c(c(C(=O)[O-])nn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000031393221	202204895	/nfs/dbraw/zinc/20/48/95/202204895.db2.gz	DSCBXQMPFMHPTH-BNMXECBLSA-N	-1	0	327.253	-2.989	1	0		EAAFRM
O=C([O-])[C@H]1O[C@H]2[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2[C@H](O)[C@@H]1O	ZINC000031544670	201387813	/nfs/dbraw/zinc/38/78/13/201387813.db2.gz	AASHGHDGOQHZOR-ZVMZQBCWSA-N	-1	0	330.249	-3.631	1	0	in-vitro	EAAFRM
O=Cc1cn([C@@H]2O[C@H]3[C@@H](O[C@H](C(=O)[O-])[C@@H](O)[C@H]3O)[C@H]2O)c(=O)[nH]1	ZINC000031544675	201387873	/nfs/dbraw/zinc/38/78/73/201387873.db2.gz	MCEHHDMQJDREQZ-ZVMZQBCWSA-N	-1	0	330.249	-3.179	1	0	in-vitro	EAAFRM
COc1nc2c(nc(N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000031829729	202211224	/nfs/dbraw/zinc/21/12/24/202211224.db2.gz	XEVQFEHJYUJYFP-CKVFBBIQSA-N	-1	0	343.296	-3.317	1	0		EAAFRM
NC1=NC(=O)C2NC(C(=O)[C@@H]3O[P@](=O)([O-])OC[C@@H]3O)=CNC2=N1	ZINC000032841050	571746287	/nfs/dbraw/zinc/74/62/87/571746287.db2.gz	YQGTWNYNWXGPDP-VJJSXZLQSA-N	-1	0	345.208	-2.902	1	0	endogenous,in-vitro	EAAFRM
NC1=NC(=O)C2NC(C(=O)[C@H]3O[P@](=O)([O-])OC[C@@H]3O)=CNC2=N1	ZINC000032841051	571746249	/nfs/dbraw/zinc/74/62/49/571746249.db2.gz	YQGTWNYNWXGPDP-FVSJBQLASA-N	-1	0	345.208	-2.902	1	0	endogenous,in-vitro	EAAFRM
O=C([O-])CCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000033830718	560088567	/nfs/dbraw/zinc/08/85/67/560088567.db2.gz	FXEOLMWSBWXMSF-TVKJYDDYSA-N	-1	0	328.317	-1.118	1	0	biogenic,in-vitro	EAAFRM
CCCO[N-]C(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000033866869	202270820	/nfs/dbraw/zinc/27/08/20/202270820.db2.gz	CVOPCRKQIUYSKT-QRIDJOKKSA-N	-1	0	338.324	-1.515	1	0		EAAFRM
O=c1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000034985792	213003566	/nfs/dbraw/zinc/00/35/66/213003566.db2.gz	DXQASGAWSKQGQC-PMPOVCSBSA-N	-1	0	338.209	-3.306	1	0		EAAFRM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000034985943	213004138	/nfs/dbraw/zinc/00/41/38/213004138.db2.gz	TWLLPPNWXLNVCC-PMPOVCSBSA-N	-1	0	337.225	-3.017	1	0		EAAFRM
Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CC(=O)[O-])O[C@H]32)c(=O)[nH]c1=O	ZINC000035080080	213007237	/nfs/dbraw/zinc/00/72/37/213007237.db2.gz	CBFJNTIJZGITHP-SWRBICTNSA-N	-1	0	328.277	-1.680	1	0		EAAFRM
O=C([O-])[C@@H]1CC[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000038321737	560086264	/nfs/dbraw/zinc/08/62/64/560086264.db2.gz	ZUKLFFYDSALIQW-JPFCZCFUSA-N	-1	0	346.332	-1.600	1	0	biogenic,in-vitro	EAAFRM
Nc1ncnc2c1nc(CCC(=O)[O-])n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000040413906	213300362	/nfs/dbraw/zinc/30/03/62/213300362.db2.gz	DKEJVYPKNIICAP-MSTPSEHLSA-N	-1	0	339.308	-1.963	1	0		EAAFRM
COC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OC)(C(=O)[O-])C[C@@H]1O	ZINC000040424152	213302460	/nfs/dbraw/zinc/30/24/60/213302460.db2.gz	XDHVEPKMCUIGCM-WHIYQGQESA-N	-1	0	339.297	-2.998	1	0		EAAFRM
C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000040567103	213352720	/nfs/dbraw/zinc/35/27/20/213352720.db2.gz	LFYGRYCTOBDYHC-PJKMHFRUSA-N	-1	0	342.308	-3.009	1	0		EAAFRM
C[C@H](O)[C@H](NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000040567450	213352626	/nfs/dbraw/zinc/35/26/26/213352626.db2.gz	QIDUHIYRDLAAKS-WKEGUHRASA-N	-1	0	328.281	-3.397	1	0		EAAFRM
C[C@@H](O)[C@H](NC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000040567452	213352642	/nfs/dbraw/zinc/35/26/42/213352642.db2.gz	QIDUHIYRDLAAKS-LDWIPMOCSA-N	-1	0	328.281	-3.397	1	0		EAAFRM
O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)nc1C=CBr	ZINC000040737716	213378302	/nfs/dbraw/zinc/37/83/02/213378302.db2.gz	RNFMAGOTQSXOBA-GMCWOFSTSA-N	-1	0	334.126	-1.062	1	0		EAAFRM
Cc1cn([C@H]2C[C@H](NC(=O)CC(=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000045350755	202550676	/nfs/dbraw/zinc/55/06/76/202550676.db2.gz	LDGOFQYDTUMWEV-QXFUBDJGSA-N	-1	0	327.293	-1.916	1	0		EAAFRM
Cc1cn([C@H]2C[C@H](NC(=O)CCC(=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000045352880	202550413	/nfs/dbraw/zinc/55/04/13/202550413.db2.gz	KIEIVGYLTYSSPF-IQJOONFLSA-N	-1	0	341.320	-1.526	1	0		EAAFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000049020581	213977160	/nfs/dbraw/zinc/97/71/60/213977160.db2.gz	HOZDBGKMRJWBEQ-KQYNXXCUSA-N	-1	0	331.310	-2.085	1	0		EAAFRM
CO[P@](=O)([O-])C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049785265	214032557	/nfs/dbraw/zinc/03/25/57/214032557.db2.gz	UOAHFGODJHOWHF-IOSLPCCCSA-N	-1	0	345.252	-1.141	1	0		EAAFRM
CO[P@](=O)([O-])C[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000049785266	214032626	/nfs/dbraw/zinc/03/26/26/214032626.db2.gz	UOAHFGODJHOWHF-FCKMSMMTSA-N	-1	0	345.252	-1.141	1	0		EAAFRM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@@H](=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000049792602	214032588	/nfs/dbraw/zinc/03/25/88/214032588.db2.gz	NKPRSPKWPQPFTK-BDXYJKHTSA-N	-1	0	347.224	-1.868	1	0		EAAFRM
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@H](=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000049792603	214032608	/nfs/dbraw/zinc/03/26/08/214032608.db2.gz	NKPRSPKWPQPFTK-UUOKFMHZSA-N	-1	0	347.224	-1.868	1	0		EAAFRM
O=C([O-])/C(=C\c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000070455466	560047159	/nfs/dbraw/zinc/04/71/59/560047159.db2.gz	IFJZNZBKGRGNSP-MTSSMRPXSA-N	-1	0	326.301	-1.071	1	0	biogenic,in-vitro	EAAFRM
O=C([O-])/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000071756106	685070178	/nfs/dbraw/zinc/07/01/78/685070178.db2.gz	LJFYQZQUAULRDF-ZYZWGZCLSA-N	-1	0	326.301	-1.037	1	0	endogenous,in-man	EAAFRM
Nc1nc2c(ncn2CCO[C@@H](CO)C[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000072177543	216066264	/nfs/dbraw/zinc/06/62/64/216066264.db2.gz	DOSXPBXUTXZEJX-LURJTMIESA-N	-1	0	333.241	-1.743	1	0		EAAFRM
Nc1nc2c(ncn2CCO[C@H](CO)C[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000072177544	216066076	/nfs/dbraw/zinc/06/60/76/216066076.db2.gz	DOSXPBXUTXZEJX-ZCFIWIBFSA-N	-1	0	333.241	-1.743	1	0		EAAFRM
O=c1ccn([C@@H]2[C@H]3C[C@@]3(CC[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000073293046	216374032	/nfs/dbraw/zinc/37/40/32/216374032.db2.gz	FUFOHGCOOQKEEN-PHXRMZQKSA-N	-1	0	332.249	-1.613	1	0		EAAFRM
O=C([O-])Cc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095914296	560055941	/nfs/dbraw/zinc/05/59/41/560055941.db2.gz	MVFYXXNAFZRZAM-RGCYKPLRSA-N	-1	0	330.289	-1.802	1	0	biogenic,in-vitro	EAAFRM
O=C([O-])CC1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)CCC(O)CC1	ZINC000095914806	560055361	/nfs/dbraw/zinc/05/53/61/560055361.db2.gz	LEXDOEZSWBRFLD-MAYCNTMQSA-N	-1	0	336.337	-2.049	1	0	biogenic,in-vitro	EAAFRM
COc1cc(C(=O)[O-])ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095919330	290944018	/nfs/dbraw/zinc/94/40/18/290944018.db2.gz	JYFOSWJYZIVJPO-DIACKHNESA-N	-1	0	330.289	-1.428	1	0	biogenic,in-vitro	EAAFRM
O=C([O-])C=CC(=O)NC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O	ZINC000096902655	218897282	/nfs/dbraw/zinc/89/72/82/218897282.db2.gz	WUBZXMSVVLRMDZ-YJBXJIGQSA-N	-1	0	343.267	-1.919	1	0		EAAFRM
NC1=NC(=O)C2NC(C(=O)[C@@H]3O[P@@](=O)([O-])OC[C@H]3O)=CNC2=N1	ZINC000100363890	574417251	/nfs/dbraw/zinc/41/72/51/574417251.db2.gz	YQGTWNYNWXGPDP-XAQAVTJOSA-N	-1	0	345.208	-2.902	1	0	endogenous,in-man	EAAFRM
NC1=NC(=O)C2NC(C(=O)[C@@H]3O[P@](=O)([O-])OC[C@@H]3O)=CNC2=N1	ZINC000100770342	571812923	/nfs/dbraw/zinc/81/29/23/571812923.db2.gz	YQGTWNYNWXGPDP-XZFOZZDRSA-N	-1	0	345.208	-2.902	1	0	endogenous,in-vitro	EAAFRM
NC1=NC(=O)C2NC(C(=O)[C@H]3O[P@](=O)([O-])OC[C@@H]3O)=CNC2=N1	ZINC000100770345	571813063	/nfs/dbraw/zinc/81/30/63/571813063.db2.gz	YQGTWNYNWXGPDP-FPGMHGEDSA-N	-1	0	345.208	-2.902	1	0	endogenous,in-vitro	EAAFRM
Cn1c[n+](CC(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c2nc(N)[nH]c(=O)c21	ZINC000103292826	219285240	/nfs/dbraw/zinc/28/52/40/219285240.db2.gz	AVZBLYIOFNEOCV-RXMQYKEDSA-O	-1	0	339.288	-2.412	1	0		EAAFRM
Cn1c[n+](CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c2nc(N)[nH]c(=O)c21	ZINC000103292839	219285380	/nfs/dbraw/zinc/28/53/80/219285380.db2.gz	AVZBLYIOFNEOCV-YFKPBYRVSA-O	-1	0	339.288	-2.412	1	0		EAAFRM
O=C([O-])[C@H]1O[C@@H](Sc2ncnc3[nH]cnc32)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000105419812	204145336	/nfs/dbraw/zinc/14/53/36/204145336.db2.gz	GEEUITSLAJGZSK-QIMCWZKGSA-N	-1	0	328.306	-1.663	1	0		EAAFRM
Nc1ccn([C@@H]2O[C@H](CO[P@@](N)(=O)[O-])[C@@H](O)C2(F)F)c(=O)n1	ZINC000169308286	226239246	/nfs/dbraw/zinc/23/92/46/226239246.db2.gz	CMYJAAIQVXILDC-QPPQHZFASA-N	-1	0	342.195	-1.205	1	0		EAAFRM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000169308923	226240729	/nfs/dbraw/zinc/24/07/29/226240729.db2.gz	TWLLPPNWXLNVCC-DFPOFIQKSA-N	-1	0	337.225	-3.017	1	0		EAAFRM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000169308929	226240839	/nfs/dbraw/zinc/24/08/39/226240839.db2.gz	TWLLPPNWXLNVCC-GPMKSPRZSA-N	-1	0	337.225	-3.017	1	0		EAAFRM
O=c1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000169308931	226240764	/nfs/dbraw/zinc/24/07/64/226240764.db2.gz	DXQASGAWSKQGQC-DDIGBBAMSA-N	-1	0	338.209	-3.306	1	0		EAAFRM
O=c1ccn([C@@H]2O[C@H]([C@@H](O)C[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000169308934	226240403	/nfs/dbraw/zinc/24/04/03/226240403.db2.gz	DXQASGAWSKQGQC-IHMGDUAMSA-N	-1	0	338.209	-3.306	1	0		EAAFRM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)[O-])[C@@H](O)[C@H]1O	ZINC000169314592	685199601	/nfs/dbraw/zinc/19/96/01/685199601.db2.gz	LWHXKQDWWDTYDO-KQYNXXCUSA-N	-1	0	346.325	-2.580	1	0		EAAFRM
O=C([O-])[C@@H]1O[C@@H](NC(=O)c2ccc(F)c(F)c2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000169344828	226548219	/nfs/dbraw/zinc/54/82/19/226548219.db2.gz	HYSCPTFKZDAZPL-OFKSJOQMSA-N	-1	0	333.243	-1.413	1	0		EAAFRM
O=C([O-])/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1	ZINC000256110390	685131923	/nfs/dbraw/zinc/13/19/23/685131923.db2.gz	OHEYCHKLBCPRLZ-CYQSQEJWSA-N	-1	0	342.300	-1.331	1	0	endogenous,in-man	EAAFRM
O=C([O-])/C=C/c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1	ZINC000256110393	685131736	/nfs/dbraw/zinc/13/17/36/685131736.db2.gz	OHEYCHKLBCPRLZ-SKTDOXOGSA-N	-1	0	342.300	-1.331	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@H](O)O[C@@H](CO)[C@@H]2O)[C@@H](O)[C@@H]1O	ZINC000261499260	571863691	/nfs/dbraw/zinc/86/36/91/571863691.db2.gz	YCJXYWPWBLPNQR-KXHIGWOJSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@@H]1O	ZINC000261499261	571863667	/nfs/dbraw/zinc/86/36/67/571863667.db2.gz	YCJXYWPWBLPNQR-PZNBCXSUSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H]1O	ZINC000261499262	571863776	/nfs/dbraw/zinc/86/37/76/571863776.db2.gz	YCJXYWPWBLPNQR-QWGMFZETSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
CO[C@H]1[C@H](C(=O)[O-])O[C@H](O[C@@H]2[C@H](O)O[C@@H](CO)[C@H]2O)[C@@H](O)[C@@H]1O	ZINC000261499263	571863767	/nfs/dbraw/zinc/86/37/67/571863767.db2.gz	YCJXYWPWBLPNQR-ZYFPHIPHSA-N	-1	0	340.281	-4.012	1	0	endogenous,in-man	EAAFRM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)([O-])O[C@@H]2[C@H]1O	ZINC000004533543	538896276	/nfs/dbraw/zinc/89/62/76/538896276.db2.gz	DMJWGQPYNRPLGA-PERBPWGJSA-N	-1	0	330.193	-1.106	2	0		EAAFRM
O=C([O-])[C@H]1O[C@@H](OC2=c3ccc(Cl)cc3=NC2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000086864026	374334598	/nfs/dbraw/zinc/33/45/98/374334598.db2.gz	RJGJTUFTEAAQRJ-BYNIDDHOSA-N	-1	0	343.719	-2.010	2	0		EAAFRM