smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c([O-])[nH]c(=O)nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O	ZINC000001530324	560181384	/nfs/dbraw/zinc/18/13/84/560181384.db2.gz	QCYVUUAIJUUUPI-BBVRLYRLSA-N	-1	2	328.281	-3.431	10	0	in-vitro	EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000002558228	581092118	/nfs/dbraw/zinc/09/21/18/581092118.db2.gz	IGWHDMPTQKSDTL-AZRUVXNYSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000002558228	581092117	/nfs/dbraw/zinc/09/21/17/581092117.db2.gz	IGWHDMPTQKSDTL-AZRUVXNYSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000003581912	210058956	/nfs/dbraw/zinc/05/89/56/210058956.db2.gz	XJQFIHYTCPKUTK-JVZYCSMKSA-N	-1	2	340.200	-1.449	10	0	in-vitro	EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	ZINC000003581912	210058954	/nfs/dbraw/zinc/05/89/54/210058954.db2.gz	XJQFIHYTCPKUTK-JVZYCSMKSA-N	-1	2	340.200	-1.449	10	0	in-vitro	EAAELM
Nc1nc2c(ncn2CO[C@H](CO)CO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000003842667	201360852	/nfs/dbraw/zinc/36/08/52/201360852.db2.gz	LSJIZCGOXSEZNF-RXMQYKEDSA-N	-1	2	335.213	-1.854	10	0		EAAELM
Nc1nc2c(ncn2CO[C@H](CO)CO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000003842667	201360847	/nfs/dbraw/zinc/36/08/47/201360847.db2.gz	LSJIZCGOXSEZNF-RXMQYKEDSA-N	-1	2	335.213	-1.854	10	0		EAAELM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1CO	ZINC000004096272	210118594	/nfs/dbraw/zinc/11/85/94/210118594.db2.gz	BTIWPBKNTZFNRI-XLPZGREQSA-N	-1	2	337.225	-1.925	10	0	in-vitro	EAAELM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1CO	ZINC000004096272	210118592	/nfs/dbraw/zinc/11/85/92/210118592.db2.gz	BTIWPBKNTZFNRI-XLPZGREQSA-N	-1	2	337.225	-1.925	10	0	in-vitro	EAAELM
O=C1CCN([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)C(=O)N1	ZINC000004096482	415317285	/nfs/dbraw/zinc/31/72/85/415317285.db2.gz	NBWDKGJHOHJBRJ-XVFCMESISA-N	-1	2	326.198	-2.516	10	0	in-vitro	EAAELM
O=C1CCN([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)C(=O)N1	ZINC000004096482	415317278	/nfs/dbraw/zinc/31/72/78/415317278.db2.gz	NBWDKGJHOHJBRJ-XVFCMESISA-N	-1	2	326.198	-2.516	10	0	in-vitro	EAAELM
O=[P@@]([O-])(O)OC[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096484	560194194	/nfs/dbraw/zinc/19/41/94/560194194.db2.gz	PLJAVYDLNJODGD-ZKMHSNTISA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
O=[P@]([O-])(O)OC[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096484	560194192	/nfs/dbraw/zinc/19/41/92/560194192.db2.gz	PLJAVYDLNJODGD-ZKMHSNTISA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
O=[P@@]([O-])(O)OC[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096485	560194173	/nfs/dbraw/zinc/19/41/73/560194173.db2.gz	PLJAVYDLNJODGD-XIBIAKPJSA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
O=[P@]([O-])(O)OC[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096485	560194171	/nfs/dbraw/zinc/19/41/71/560194171.db2.gz	PLJAVYDLNJODGD-XIBIAKPJSA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
O=[P@@]([O-])(O)OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096517	560194185	/nfs/dbraw/zinc/19/41/85/560194185.db2.gz	VFHNNRXYOUPLDR-XIBIAKPJSA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
O=[P@]([O-])(O)OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096517	560194183	/nfs/dbraw/zinc/19/41/83/560194183.db2.gz	VFHNNRXYOUPLDR-XIBIAKPJSA-N	-1	2	334.214	-3.727	10	0	in-vitro	EAAELM
Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO[P@](=O)([O-])O)CN2	ZINC000004096962	571685518	/nfs/dbraw/zinc/68/55/18/571685518.db2.gz	PLSQMGZYOGSOCE-XINAWCOVSA-N	-1	2	335.213	-2.319	10	0	endogenous,in-man	EAAELM
Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)CO[P@@](=O)([O-])O)CN2	ZINC000004096962	571685515	/nfs/dbraw/zinc/68/55/15/571685515.db2.gz	PLSQMGZYOGSOCE-XINAWCOVSA-N	-1	2	335.213	-2.319	10	0	endogenous,in-man	EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000004972237	685156379	/nfs/dbraw/zinc/15/63/79/685156379.db2.gz	ZLHJFTIXCUYZSQ-MTSNSDSCSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000004972237	685156377	/nfs/dbraw/zinc/15/63/77/685156377.db2.gz	ZLHJFTIXCUYZSQ-MTSNSDSCSA-N	-1	2	345.252	-1.199	10	0		EAAELM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2F)cc1F	ZINC000006090976	581098165	/nfs/dbraw/zinc/09/81/65/581098165.db2.gz	FEEBOLVDMGNROC-BYPJNBLXSA-N	-1	2	344.163	-1.619	10	0		EAAELM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2F)cc1F	ZINC000006090976	581098164	/nfs/dbraw/zinc/09/81/64/581098164.db2.gz	FEEBOLVDMGNROC-BYPJNBLXSA-N	-1	2	344.163	-1.619	10	0		EAAELM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000006091150	560205083	/nfs/dbraw/zinc/20/50/83/560205083.db2.gz	OPBLKWSMVCXQNV-RRKCRQDMSA-N	-1	2	325.189	-1.278	10	0	in-vitro	EAAELM
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000006091150	560205082	/nfs/dbraw/zinc/20/50/82/560205082.db2.gz	OPBLKWSMVCXQNV-RRKCRQDMSA-N	-1	2	325.189	-1.278	10	0	in-vitro	EAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000012501010	211393688	/nfs/dbraw/zinc/39/36/88/211393688.db2.gz	NOTGFIUVDGNKRI-FJFJXFQQSA-N	-1	2	338.213	-2.707	10	0		EAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c1N	ZINC000012501010	211393686	/nfs/dbraw/zinc/39/36/86/211393686.db2.gz	NOTGFIUVDGNKRI-FJFJXFQQSA-N	-1	2	338.213	-2.707	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)nc1N	ZINC000012501458	211393913	/nfs/dbraw/zinc/39/39/13/211393913.db2.gz	NJQONZSFUKNYOY-JAGXHNFQSA-N	-1	2	337.225	-2.138	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)nc1N	ZINC000012501458	211393909	/nfs/dbraw/zinc/39/39/09/211393909.db2.gz	NJQONZSFUKNYOY-JAGXHNFQSA-N	-1	2	337.225	-2.138	10	0		EAAELM
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000012503903	374629389	/nfs/dbraw/zinc/62/93/89/374629389.db2.gz	HFEKDTCAMMOLQP-FSDSQADBSA-N	-1	2	326.173	-1.567	10	0		EAAELM
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000012503903	374629383	/nfs/dbraw/zinc/62/93/83/374629383.db2.gz	HFEKDTCAMMOLQP-FSDSQADBSA-N	-1	2	326.173	-1.567	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504241	581092223	/nfs/dbraw/zinc/09/22/23/581092223.db2.gz	IGWHDMPTQKSDTL-XQXXSGGOSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504241	581092222	/nfs/dbraw/zinc/09/22/22/581092222.db2.gz	IGWHDMPTQKSDTL-XQXXSGGOSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504242	581092197	/nfs/dbraw/zinc/09/21/97/581092197.db2.gz	IGWHDMPTQKSDTL-JAGXHNFQSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504242	581092196	/nfs/dbraw/zinc/09/21/96/581092196.db2.gz	IGWHDMPTQKSDTL-JAGXHNFQSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504243	581092103	/nfs/dbraw/zinc/09/21/03/581092103.db2.gz	IGWHDMPTQKSDTL-JAKMQLQISA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	ZINC000012504243	581092102	/nfs/dbraw/zinc/09/21/02/581092102.db2.gz	IGWHDMPTQKSDTL-JAKMQLQISA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000013511986	374255041	/nfs/dbraw/zinc/25/50/41/374255041.db2.gz	NJQONZSFUKNYOY-JXOAFFINSA-N	-1	2	337.225	-2.138	10	0	in-vivo	EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000013511986	374255034	/nfs/dbraw/zinc/25/50/34/374255034.db2.gz	NJQONZSFUKNYOY-JXOAFFINSA-N	-1	2	337.225	-2.138	10	0	in-vivo	EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013515793	581092112	/nfs/dbraw/zinc/09/21/12/581092112.db2.gz	IGWHDMPTQKSDTL-JXOAFFINSA-N	-1	2	338.209	-2.426	10	0	in-vivo	EAAELM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013515793	581092111	/nfs/dbraw/zinc/09/21/11/581092111.db2.gz	IGWHDMPTQKSDTL-JXOAFFINSA-N	-1	2	338.209	-2.426	10	0	in-vivo	EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013516584	581092128	/nfs/dbraw/zinc/09/21/28/581092128.db2.gz	IGWHDMPTQKSDTL-LKHWLPBLSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000013516584	581092127	/nfs/dbraw/zinc/09/21/27/581092127.db2.gz	IGWHDMPTQKSDTL-LKHWLPBLSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Nc1ccn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)C2(F)F)c(=O)n1	ZINC000013516749	374956770	/nfs/dbraw/zinc/95/67/70/374956770.db2.gz	KNTREFQOVSMROS-UBKIQSJTSA-N	-1	2	343.179	-1.172	10	0		EAAELM
Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)C2(F)F)c(=O)n1	ZINC000013516749	374956764	/nfs/dbraw/zinc/95/67/64/374956764.db2.gz	KNTREFQOVSMROS-UBKIQSJTSA-N	-1	2	343.179	-1.172	10	0		EAAELM
CO[C@@H]1[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@H]1n1ccc(N)nc1=O	ZINC000013516864	560218339	/nfs/dbraw/zinc/21/83/39/560218339.db2.gz	USRXKJOTSNCJMA-ZOQUXTDFSA-N	-1	2	337.225	-1.792	10	0	in-vitro	EAAELM
CO[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]1n1ccc(N)nc1=O	ZINC000013516864	560218338	/nfs/dbraw/zinc/21/83/38/560218338.db2.gz	USRXKJOTSNCJMA-ZOQUXTDFSA-N	-1	2	337.225	-1.792	10	0	in-vitro	EAAELM
Nc1nc2c(ncn2CO[C@@H](CO)CO[P@](=O)([O-])O)c(=O)[nH]1	ZINC000013527398	201365627	/nfs/dbraw/zinc/36/56/27/201365627.db2.gz	LSJIZCGOXSEZNF-YFKPBYRVSA-N	-1	2	335.213	-1.854	10	0	in-vitro	EAAELM
Nc1nc2c(ncn2CO[C@@H](CO)CO[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000013527398	201365624	/nfs/dbraw/zinc/36/56/24/201365624.db2.gz	LSJIZCGOXSEZNF-YFKPBYRVSA-N	-1	2	335.213	-1.854	10	0	in-vitro	EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013531931	374955505	/nfs/dbraw/zinc/95/55/05/374955505.db2.gz	GRSZFWQUAKGDAV-UHTZMRCNSA-N	-1	2	348.208	-1.740	10	0		EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013531931	374955494	/nfs/dbraw/zinc/95/54/94/374955494.db2.gz	GRSZFWQUAKGDAV-UHTZMRCNSA-N	-1	2	348.208	-1.740	10	0		EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013531934	374956028	/nfs/dbraw/zinc/95/60/28/374956028.db2.gz	GRSZFWQUAKGDAV-XJCFNFQFSA-N	-1	2	348.208	-1.740	10	0		EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000013531934	374956021	/nfs/dbraw/zinc/95/60/21/374956021.db2.gz	GRSZFWQUAKGDAV-XJCFNFQFSA-N	-1	2	348.208	-1.740	10	0		EAAELM
O=Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013542916	560219386	/nfs/dbraw/zinc/21/93/86/560219386.db2.gz	LVYWYEBCBRVIEG-XLPZGREQSA-N	-1	2	336.193	-1.893	10	0	in-vitro	EAAELM
O=Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000013542916	560219384	/nfs/dbraw/zinc/21/93/84/560219384.db2.gz	LVYWYEBCBRVIEG-XLPZGREQSA-N	-1	2	336.193	-1.893	10	0	in-vitro	EAAELM
NC(=O)C1=NCN([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)C1=O	ZINC000013545945	415232708	/nfs/dbraw/zinc/23/27/08/415232708.db2.gz	KTKAFSMJDTUUAN-UUOKFMHZSA-N	-1	2	339.197	-2.584	10	0	in-vivo	EAAELM
NC(=O)C1=NCN([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)C1=O	ZINC000013545945	415232698	/nfs/dbraw/zinc/23/26/98/415232698.db2.gz	KTKAFSMJDTUUAN-UUOKFMHZSA-N	-1	2	339.197	-2.584	10	0	in-vivo	EAAELM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1Cl	ZINC000013547784	560219636	/nfs/dbraw/zinc/21/96/36/560219636.db2.gz	RBQXEHDSKLSKLJ-RRKCRQDMSA-N	-1	2	342.628	-1.052	10	0	in-vitro	EAAELM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1Cl	ZINC000013547784	560219634	/nfs/dbraw/zinc/21/96/34/560219634.db2.gz	RBQXEHDSKLSKLJ-RRKCRQDMSA-N	-1	2	342.628	-1.052	10	0	in-vitro	EAAELM
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2F)c(=O)[nH]1	ZINC000013604346	374254752	/nfs/dbraw/zinc/25/47/52/374254752.db2.gz	RTGGYPQTXNSBPD-XVFCMESISA-N	-1	2	326.173	-1.758	10	0	in-vitro	EAAELM
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2F)c(=O)[nH]1	ZINC000013604346	374254739	/nfs/dbraw/zinc/25/47/39/374254739.db2.gz	RTGGYPQTXNSBPD-XVFCMESISA-N	-1	2	326.173	-1.758	10	0	in-vitro	EAAELM
O=c1nc(NO)c(F)cn1[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013835496	374292791	/nfs/dbraw/zinc/29/27/91/374292791.db2.gz	NLJQYFRLORVALI-RRKCRQDMSA-N	-1	2	341.188	-1.059	10	0		EAAELM
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Cc1nc2c([O-])[nH]c(=O)nc2n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c1=O	ZINC000014653745	685121190	/nfs/dbraw/zinc/12/11/90/685121190.db2.gz	QCYVUUAIJUUUPI-GKROBHDKSA-N	-1	2	328.281	-3.431	10	0		EAAELM
Cc1nc2c([O-])[nH]c(=O)nc2n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c1=O	ZINC000014653748	685121182	/nfs/dbraw/zinc/12/11/82/685121182.db2.gz	QCYVUUAIJUUUPI-VMHSAVOQSA-N	-1	2	328.281	-3.431	10	0		EAAELM
Cc1nc2c([O-])[nH]c(=O)nc2n(C[C@H](O)[C@H](O)[C@@H](O)CO)c1=O	ZINC000014653754	685121223	/nfs/dbraw/zinc/12/12/23/685121223.db2.gz	QCYVUUAIJUUUPI-HAFWLYHUSA-N	-1	2	328.281	-3.431	10	0		EAAELM
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O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O	ZINC000015614364	374258176	/nfs/dbraw/zinc/25/81/76/374258176.db2.gz	MCWDCZIDTUQRHK-FDDDBJFASA-N	-1	2	332.209	-1.445	10	0	in-vivo	EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000016951419	685558288	/nfs/dbraw/zinc/55/82/88/685558288.db2.gz	ZLHJFTIXCUYZSQ-SQEXRHODSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000016951419	685558284	/nfs/dbraw/zinc/55/82/84/685558284.db2.gz	ZLHJFTIXCUYZSQ-SQEXRHODSA-N	-1	2	345.252	-1.199	10	0		EAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c1N	ZINC000022048479	212272163	/nfs/dbraw/zinc/27/21/63/212272163.db2.gz	NOTGFIUVDGNKRI-GFRUICAKSA-N	-1	2	338.213	-2.707	10	0		EAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c1N	ZINC000022048479	212272162	/nfs/dbraw/zinc/27/21/62/212272162.db2.gz	NOTGFIUVDGNKRI-GFRUICAKSA-N	-1	2	338.213	-2.707	10	0		EAAELM
Nc1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)C2(F)F)c(=O)n1	ZINC000022059887	375202635	/nfs/dbraw/zinc/20/26/35/375202635.db2.gz	KNTREFQOVSMROS-PRMYIZFSSA-N	-1	2	343.179	-1.172	10	0		EAAELM
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)C2(F)F)c(=O)n1	ZINC000022059887	375202632	/nfs/dbraw/zinc/20/26/32/375202632.db2.gz	KNTREFQOVSMROS-PRMYIZFSSA-N	-1	2	343.179	-1.172	10	0		EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000031414866	685774857	/nfs/dbraw/zinc/77/48/57/685774857.db2.gz	JAVFUCJXWJDPGZ-GCXDCGAKSA-N	-1	2	346.236	-1.488	10	0		EAAELM
O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000031414866	685774853	/nfs/dbraw/zinc/77/48/53/685774853.db2.gz	JAVFUCJXWJDPGZ-GCXDCGAKSA-N	-1	2	346.236	-1.488	10	0		EAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000031518994	375225577	/nfs/dbraw/zinc/22/55/77/375225577.db2.gz	VLZKLBLFWAHHJM-UAKXSSHOSA-N	-1	2	341.188	-2.307	10	0	in-vitro	EAAELM
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1F	ZINC000031518994	375225570	/nfs/dbraw/zinc/22/55/70/375225570.db2.gz	VLZKLBLFWAHHJM-UAKXSSHOSA-N	-1	2	341.188	-2.307	10	0	in-vitro	EAAELM
O=c1nc(NO)ccn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000031623433	202207540	/nfs/dbraw/zinc/20/75/40/202207540.db2.gz	DYOUVDKCXLKHKY-XVFCMESISA-N	-1	2	339.197	-2.227	10	0	in-vitro	EAAELM
O=c1nc(NO)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000031623433	202207536	/nfs/dbraw/zinc/20/75/36/202207536.db2.gz	DYOUVDKCXLKHKY-XVFCMESISA-N	-1	2	339.197	-2.227	10	0	in-vitro	EAAELM
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1F	ZINC000033902385	374382385	/nfs/dbraw/zinc/38/23/85/374382385.db2.gz	RNBMPPYRHNWTMA-MNCSTQPFSA-N	-1	2	342.172	-2.596	10	0		EAAELM
Cc1nc2c([O-])[nH]c(=O)nc2n(C[C@H](O)[C@@H](O)[C@H](O)CO)c1=O	ZINC000033902839	685051113	/nfs/dbraw/zinc/05/11/13/685051113.db2.gz	QCYVUUAIJUUUPI-SHYZEUOFSA-N	-1	2	328.281	-3.431	10	0		EAAELM
NC(=O)c1csc([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000034094207	202273190	/nfs/dbraw/zinc/27/31/90/202273190.db2.gz	XDDGVTBJYGSVPM-DBRKOABJSA-N	-1	2	340.250	-1.487	10	0		EAAELM
NC(=O)c1csc([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000034094207	202273188	/nfs/dbraw/zinc/27/31/88/202273188.db2.gz	XDDGVTBJYGSVPM-DBRKOABJSA-N	-1	2	340.250	-1.487	10	0		EAAELM
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Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000034430373	685085901	/nfs/dbraw/zinc/08/59/01/685085901.db2.gz	ZLHJFTIXCUYZSQ-GCXDCGAKSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000034430373	685085893	/nfs/dbraw/zinc/08/58/93/685085893.db2.gz	ZLHJFTIXCUYZSQ-GCXDCGAKSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000034920712	581092203	/nfs/dbraw/zinc/09/22/03/581092203.db2.gz	IGWHDMPTQKSDTL-SZACMFPPSA-N	-1	2	338.209	-2.426	10	0		EAAELM
Cc1cn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000034920712	581092202	/nfs/dbraw/zinc/09/22/02/581092202.db2.gz	IGWHDMPTQKSDTL-SZACMFPPSA-N	-1	2	338.209	-2.426	10	0		EAAELM
CCOC(=O)CS(=O)(=O)[N-]C(C(=O)OCC)C(=O)OCC	ZINC000049061845	685073728	/nfs/dbraw/zinc/07/37/28/685073728.db2.gz	BBXLELCCBZBBFI-UHFFFAOYSA-N	-1	2	325.339	-1.036	10	0		EAAELM
CCOC(=O)C([N-]S(=O)(=O)[C@@H](C)C(=O)OC)C(=O)OCC	ZINC000049063857	685074368	/nfs/dbraw/zinc/07/43/68/685074368.db2.gz	IOQAMOMSDZQGFL-ZETCQYMHSA-N	-1	2	325.339	-1.038	10	0		EAAELM
CCOC(=O)C([N-]S(=O)(=O)[C@H](C)C(=O)OC)C(=O)OCC	ZINC000049063858	685074285	/nfs/dbraw/zinc/07/42/85/685074285.db2.gz	IOQAMOMSDZQGFL-SSDOTTSWSA-N	-1	2	325.339	-1.038	10	0		EAAELM
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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000081201535	374380980	/nfs/dbraw/zinc/38/09/80/374380980.db2.gz	AAKDDYHKKWMERP-KQYNXXCUSA-N	-1	2	346.240	-2.290	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000081201535	374380974	/nfs/dbraw/zinc/38/09/74/374380974.db2.gz	AAKDDYHKKWMERP-KQYNXXCUSA-N	-1	2	346.240	-2.290	10	0		EAAELM
[NH3+]CC(=O)NCC(=O)N(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000090608479	685179266	/nfs/dbraw/zinc/17/92/66/685179266.db2.gz	WKBRTUXHENCMDF-UHFFFAOYSA-N	-1	2	348.312	-3.554	10	0		EAAELM
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NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c1N	ZINC000103317774	219290120	/nfs/dbraw/zinc/29/01/20/219290120.db2.gz	NOTGFIUVDGNKRI-FTWQFJAYSA-N	-1	2	338.213	-2.707	10	0		EAAELM
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CC(=O)Nc1c(O)nc(SCC(=O)Nc2nncs2)[n-]c1=O	ZINC000104611103	685070655	/nfs/dbraw/zinc/07/06/55/685070655.db2.gz	QWGBWOHNATVXSL-UHFFFAOYSA-N	-1	2	342.362	-1.273	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000105220512	685184495	/nfs/dbraw/zinc/18/44/95/685184495.db2.gz	ZLHJFTIXCUYZSQ-YGBUUZGLSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000105220512	685184492	/nfs/dbraw/zinc/18/44/92/685184492.db2.gz	ZLHJFTIXCUYZSQ-YGBUUZGLSA-N	-1	2	345.252	-1.199	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@H]([C@@H](O)[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705321	685758841	/nfs/dbraw/zinc/75/88/41/685758841.db2.gz	XEIBNVKUSSLTNV-DXJJXSCXSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@H]([C@@H](O)[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705321	685758838	/nfs/dbraw/zinc/75/88/38/685758838.db2.gz	XEIBNVKUSSLTNV-DXJJXSCXSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@H]([C@@H](O)[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705322	685758873	/nfs/dbraw/zinc/75/88/73/685758873.db2.gz	XEIBNVKUSSLTNV-CQIWEZNHSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@H]([C@@H](O)[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705322	685758869	/nfs/dbraw/zinc/75/88/69/685758869.db2.gz	XEIBNVKUSSLTNV-CQIWEZNHSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@H]([C@H](O)[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705324	685759020	/nfs/dbraw/zinc/75/90/20/685759020.db2.gz	XEIBNVKUSSLTNV-SOXMMMAZSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@H]([C@H](O)[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705324	685759016	/nfs/dbraw/zinc/75/90/16/685759016.db2.gz	XEIBNVKUSSLTNV-SOXMMMAZSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@H]([C@H](O)[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705326	685759197	/nfs/dbraw/zinc/75/91/97/685759197.db2.gz	XEIBNVKUSSLTNV-CCGNRYHBSA-N	-1	2	339.197	-2.721	10	0		EAAELM
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@H]([C@H](O)[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000114705326	685759191	/nfs/dbraw/zinc/75/91/91/685759191.db2.gz	XEIBNVKUSSLTNV-CCGNRYHBSA-N	-1	2	339.197	-2.721	10	0		EAAELM
[NH3+][C@@H](C=O)[C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H](O)COS(=O)(=O)[O-]	ZINC000115852796	685647640	/nfs/dbraw/zinc/64/76/40/685647640.db2.gz	ATNVJYQRWDYTEY-SLPGGIOYSA-N	-1	2	339.300	-3.758	10	0		EAAELM
CS(=O)(=O)Nc1cnn(CC(=O)N2CCOC[C@@H]2C(=O)[O-])n1	ZINC000169796764	685226377	/nfs/dbraw/zinc/22/63/77/685226377.db2.gz	DWRGJFJXHDUHAC-SSDOTTSWSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cnn(CC(=O)N2CCOC[C@H]2C(=O)[O-])n1	ZINC000169796765	685226411	/nfs/dbraw/zinc/22/64/11/685226411.db2.gz	DWRGJFJXHDUHAC-ZETCQYMHSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cn(CC(=O)N2CCOC[C@@H]2C(=O)[O-])nn1	ZINC000169796772	685226235	/nfs/dbraw/zinc/22/62/35/685226235.db2.gz	CFLYVUHKBOCPDJ-SSDOTTSWSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cn(CC(=O)N2CCOC[C@H]2C(=O)[O-])nn1	ZINC000169796773	685226504	/nfs/dbraw/zinc/22/65/04/685226504.db2.gz	CFLYVUHKBOCPDJ-ZETCQYMHSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cnn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1	ZINC000169796918	685226439	/nfs/dbraw/zinc/22/64/39/685226439.db2.gz	WJEUJIQDEPLPAM-SSDOTTSWSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cnn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)n1	ZINC000169796919	685226219	/nfs/dbraw/zinc/22/62/19/685226219.db2.gz	WJEUJIQDEPLPAM-ZETCQYMHSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1	ZINC000169796929	685226214	/nfs/dbraw/zinc/22/62/14/685226214.db2.gz	HDQZXACUAKDZEF-SSDOTTSWSA-N	-1	2	333.326	-2.038	10	0		EAAELM
CS(=O)(=O)Nc1cn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1	ZINC000169796931	685226550	/nfs/dbraw/zinc/22/65/50/685226550.db2.gz	HDQZXACUAKDZEF-ZETCQYMHSA-N	-1	2	333.326	-2.038	10	0		EAAELM
O=C1CCN([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)C(=O)N1	ZINC000504708209	375224090	/nfs/dbraw/zinc/22/40/90/375224090.db2.gz	NBWDKGJHOHJBRJ-CCXZUQQUSA-N	-1	2	326.198	-2.516	10	0		EAAELM
O=C1CCN([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)C(=O)N1	ZINC000504708209	375224086	/nfs/dbraw/zinc/22/40/86/375224086.db2.gz	NBWDKGJHOHJBRJ-CCXZUQQUSA-N	-1	2	326.198	-2.516	10	0		EAAELM
Nc1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H]3OC(=O)O[C@H]32)c(=O)n1	ZINC000584650881	374827692	/nfs/dbraw/zinc/82/76/92/374827692.db2.gz	JRTVTYUBBMKLMY-XVFCMESISA-N	-1	2	349.192	-1.021	10	0		EAAELM
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H]3OC(=O)O[C@H]32)c(=O)n1	ZINC000584650881	374827684	/nfs/dbraw/zinc/82/76/84/374827684.db2.gz	JRTVTYUBBMKLMY-XVFCMESISA-N	-1	2	349.192	-1.021	10	0		EAAELM
C[C@H]([NH2+][C@@H](CC[NH2+][C@@H](Cc1c[nH]cn1)C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000605694294	685152849	/nfs/dbraw/zinc/15/28/49/685152849.db2.gz	WLNNYKMTYVPSDL-HGNGGELXSA-N	-1	2	328.325	-1.099	10	0		EAAELM
C[C@H]([NH2+][C@@H](CC[NH2+][C@H](Cc1c[nH]cn1)C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000605694295	685152709	/nfs/dbraw/zinc/15/27/09/685152709.db2.gz	WLNNYKMTYVPSDL-UJNFCWOMSA-N	-1	2	328.325	-1.099	10	0		EAAELM
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000606566198	375225261	/nfs/dbraw/zinc/22/52/61/375225261.db2.gz	CKTAUHRBDDXUDJ-CCXZUQQUSA-N	-1	2	340.250	-1.740	10	0		EAAELM
O=c1[nH]c(=S)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000606566198	375225250	/nfs/dbraw/zinc/22/52/50/375225250.db2.gz	CKTAUHRBDDXUDJ-CCXZUQQUSA-N	-1	2	340.250	-1.740	10	0		EAAELM