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[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004261765	574412268	/nfs/dbraw/zinc/41/22/68/574412268.db2.gz	ZKHQWZAMYRWXGA-KQYNXXCUSA-N	-3	1	507.182	-1.629	50	0	endogenous,world	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004261765	574412267	/nfs/dbraw/zinc/41/22/67/574412267.db2.gz	ZKHQWZAMYRWXGA-KQYNXXCUSA-N	-3	1	507.182	-1.629	50	0	endogenous,world	KAAAML
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008215530	552984847	/nfs/dbraw/zinc/98/48/47/552984847.db2.gz	HAEJPQIATWHALX-KQYNXXCUSA-N	-3	1	508.166	-1.918	50	0	endogenous,in-man	KAAAML
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008215530	552984846	/nfs/dbraw/zinc/98/48/46/552984846.db2.gz	HAEJPQIATWHALX-KQYNXXCUSA-N	-3	1	508.166	-1.918	50	0	endogenous,in-man	KAAAML
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000008215755	552984822	/nfs/dbraw/zinc/98/48/22/552984822.db2.gz	HAAZLUGHYHWQIW-KVQBGUIXSA-N	-3	1	507.182	-1.307	50	0	endogenous,in-man	KAAAML
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000008215755	552984819	/nfs/dbraw/zinc/98/48/19/552984819.db2.gz	HAAZLUGHYHWQIW-KVQBGUIXSA-N	-3	1	507.182	-1.307	50	0	endogenous,in-man	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008220535	552984994	/nfs/dbraw/zinc/98/49/94/552984994.db2.gz	PHBDHXOBFUBCJD-KQYNXXCUSA-N	-3	1	521.209	-2.225	50	0	in-vivo	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008295117	552985463	/nfs/dbraw/zinc/98/54/63/552985463.db2.gz	CAWZRIXWFRFUQB-IOSLPCCCSA-N	-3	1	505.210	-1.518	50	0	in-vivo	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008295117	552985461	/nfs/dbraw/zinc/98/54/61/552985461.db2.gz	CAWZRIXWFRFUQB-IOSLPCCCSA-N	-3	1	505.210	-1.518	50	0	in-vivo	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000008295124	552985469	/nfs/dbraw/zinc/98/54/69/552985469.db2.gz	UFZTZBNSLXELAL-IOSLPCCCSA-N	-3	1	505.210	-1.518	50	0	in-vivo	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000011524397	553339080	/nfs/dbraw/zinc/33/90/80/553339080.db2.gz	ZKHQWZAMYRWXGA-XJCFNFQFSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000011524397	553339077	/nfs/dbraw/zinc/33/90/77/553339077.db2.gz	ZKHQWZAMYRWXGA-XJCFNFQFSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000011524400	553339060	/nfs/dbraw/zinc/33/90/60/553339060.db2.gz	ZKHQWZAMYRWXGA-DEGSGYPDSA-N	-3	1	507.182	-1.629	50	0		KAAAML
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000011524400	553339057	/nfs/dbraw/zinc/33/90/57/553339057.db2.gz	ZKHQWZAMYRWXGA-DEGSGYPDSA-N	-3	1	507.182	-1.629	50	0		KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000011726744	553340954	/nfs/dbraw/zinc/34/09/54/553340954.db2.gz	ZKHQWZAMYRWXGA-UHTZMRCNSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000011726744	553340951	/nfs/dbraw/zinc/34/09/51/553340951.db2.gz	ZKHQWZAMYRWXGA-UHTZMRCNSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000014880896	553521089	/nfs/dbraw/zinc/52/10/89/553521089.db2.gz	PHBDHXOBFUBCJD-UHTZMRCNSA-N	-3	1	521.209	-2.225	50	0		KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000016969372	553585569	/nfs/dbraw/zinc/58/55/69/553585569.db2.gz	HAEJPQIATWHALX-CMEPRQAFSA-N	-3	1	508.166	-1.506	50	0		KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000016969372	553585566	/nfs/dbraw/zinc/58/55/66/553585566.db2.gz	HAEJPQIATWHALX-CMEPRQAFSA-N	-3	1	508.166	-1.506	50	0		KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000033902336	553975967	/nfs/dbraw/zinc/97/59/67/553975967.db2.gz	ZKHQWZAMYRWXGA-GAWUUDPSSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000033902336	553975965	/nfs/dbraw/zinc/97/59/65/553975965.db2.gz	ZKHQWZAMYRWXGA-GAWUUDPSSA-N	-3	1	507.182	-1.629	50	0	in-vitro	KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000034060135	553980681	/nfs/dbraw/zinc/98/06/81/553980681.db2.gz	HAEJPQIATWHALX-DEGSGYPDSA-N	-3	1	508.166	-1.918	50	0		KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000034060135	553980679	/nfs/dbraw/zinc/98/06/79/553980679.db2.gz	HAEJPQIATWHALX-DEGSGYPDSA-N	-3	1	508.166	-1.918	50	0		KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035000844	554033628	/nfs/dbraw/zinc/03/36/28/554033628.db2.gz	HAEJPQIATWHALX-WDHZHIADSA-N	-3	1	508.166	-1.918	50	0	in-vitro	KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035000844	554033626	/nfs/dbraw/zinc/03/36/26/554033626.db2.gz	HAEJPQIATWHALX-WDHZHIADSA-N	-3	1	508.166	-1.918	50	0	in-vitro	KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000035000848	554033616	/nfs/dbraw/zinc/03/36/16/554033616.db2.gz	HAEJPQIATWHALX-HUEBKHCJSA-N	-3	1	508.166	-1.918	50	0	in-vitro	KAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000035000848	554033613	/nfs/dbraw/zinc/03/36/13/554033613.db2.gz	HAEJPQIATWHALX-HUEBKHCJSA-N	-3	1	508.166	-1.918	50	0	in-vitro	KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035077491	554034086	/nfs/dbraw/zinc/03/40/86/554034086.db2.gz	IOQIJUVWFDSKFZ-PXMDKTAGSA-N	-2	1	507.083	-1.272	50	0		KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000035077491	554034082	/nfs/dbraw/zinc/03/40/82/554034082.db2.gz	IOQIJUVWFDSKFZ-PXMDKTAGSA-N	-2	1	507.083	-1.272	50	0		KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000035077495	554034175	/nfs/dbraw/zinc/03/41/75/554034175.db2.gz	IOQIJUVWFDSKFZ-HFXAWCPLSA-N	-2	1	507.083	-1.272	50	0		KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000035077495	554034171	/nfs/dbraw/zinc/03/41/71/554034171.db2.gz	IOQIJUVWFDSKFZ-HFXAWCPLSA-N	-2	1	507.083	-1.272	50	0		KAAAML
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1Br	ZINC000038149754	554270768	/nfs/dbraw/zinc/27/07/68/554270768.db2.gz	IWFHOSULCAJGRM-UAKXSSHOSA-N	-3	1	563.036	-1.738	50	0	in-vitro	KAAAML
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1Br	ZINC000038149754	554270764	/nfs/dbraw/zinc/27/07/64/554270764.db2.gz	IWFHOSULCAJGRM-UAKXSSHOSA-N	-3	1	563.036	-1.738	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049766701	554325698	/nfs/dbraw/zinc/32/56/98/554325698.db2.gz	XKMLYUALXHKNFT-GIMIYPNGSA-N	-3	1	523.181	-1.923	50	0		KAAAML
Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049766701	554325695	/nfs/dbraw/zinc/32/56/95/554325695.db2.gz	XKMLYUALXHKNFT-GIMIYPNGSA-N	-3	1	523.181	-1.923	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000060094177	554502288	/nfs/dbraw/zinc/50/22/88/554502288.db2.gz	XKMLYUALXHKNFT-UUOKFMHZSA-N	-3	1	523.181	-1.923	50	0	endogenous,in-man	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000060094177	554502284	/nfs/dbraw/zinc/50/22/84/554502284.db2.gz	XKMLYUALXHKNFT-UUOKFMHZSA-N	-3	1	523.181	-1.923	50	0	endogenous,in-man	KAAAML
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c2c1[C@H](O)N=C(N)N2	ZINC000060292323	554505516	/nfs/dbraw/zinc/50/55/16/554505516.db2.gz	SORSOSZUGBCFCV-YOHZANMFSA-O	-2	1	540.232	-2.994	50	0		KAAAML
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c2c1[C@H](O)N=C(N)N2	ZINC000060292323	554505514	/nfs/dbraw/zinc/50/55/14/554505514.db2.gz	SORSOSZUGBCFCV-YOHZANMFSA-O	-2	1	540.232	-2.994	50	0		KAAAML
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c2c1[C@@H](O)N=C(N)N2	ZINC000060292328	554505543	/nfs/dbraw/zinc/50/55/43/554505543.db2.gz	SORSOSZUGBCFCV-HRNNJVHXSA-O	-2	1	540.232	-2.994	50	0		KAAAML
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c2c1[C@@H](O)N=C(N)N2	ZINC000060292328	554505541	/nfs/dbraw/zinc/50/55/41/554505541.db2.gz	SORSOSZUGBCFCV-HRNNJVHXSA-O	-2	1	540.232	-2.994	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000070463158	553594379	/nfs/dbraw/zinc/59/43/79/553594379.db2.gz	XKMLYUALXHKNFT-FTWQFJAYSA-N	-3	1	523.181	-2.336	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000070463158	553594378	/nfs/dbraw/zinc/59/43/78/553594378.db2.gz	XKMLYUALXHKNFT-FTWQFJAYSA-N	-3	1	523.181	-2.336	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000070463159	553594454	/nfs/dbraw/zinc/59/44/54/553594454.db2.gz	XKMLYUALXHKNFT-GFRUICAKSA-N	-3	1	523.181	-2.336	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000070463159	553594453	/nfs/dbraw/zinc/59/44/53/553594453.db2.gz	XKMLYUALXHKNFT-GFRUICAKSA-N	-3	1	523.181	-2.336	50	0	in-vitro	KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000082050082	553673414	/nfs/dbraw/zinc/67/34/14/553673414.db2.gz	KDFXXNGTULMGMF-UUOKFMHZSA-N	-4	1	603.160	-2.219	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000082050082	553673412	/nfs/dbraw/zinc/67/34/12/553673412.db2.gz	KDFXXNGTULMGMF-UUOKFMHZSA-N	-4	1	603.160	-2.219	50	0		KAAAML
NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000085589584	553684442	/nfs/dbraw/zinc/68/44/42/553684442.db2.gz	QLLWULMEPVZWTP-LSBAASHUSA-N	-3	1	788.768	-2.811	50	0		KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]2O[C@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	ZINC000085591448	553684843	/nfs/dbraw/zinc/68/48/43/553684843.db2.gz	QCICUPZZLIQAPA-XMLSZEKXSA-N	-3	1	756.412	-2.563	50	0		KAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]2O[C@@H](n3cnc4c3ncnc4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	ZINC000096085195	574417184	/nfs/dbraw/zinc/41/71/84/574417184.db2.gz	OIMACDRJUANHTJ-XPWFQUROSA-N	-5	1	916.370	-2.329	50	0	endogenous,in-man	KAAAML
[NH3+]CCCc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000100034540	554187709	/nfs/dbraw/zinc/18/77/09/554187709.db2.gz	CTDNMWQIQIIADL-IVZWLZJFSA-N	-2	1	525.237	-1.580	50	0		KAAAML
[NH3+]CCCc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000100034540	554187705	/nfs/dbraw/zinc/18/77/05/554187705.db2.gz	CTDNMWQIQIIADL-IVZWLZJFSA-N	-2	1	525.237	-1.580	50	0		KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000100656128	554437651	/nfs/dbraw/zinc/43/76/51/554437651.db2.gz	IOQIJUVWFDSKFZ-HJGQOHIQSA-N	-2	1	507.083	-1.272	50	0		KAAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000100656128	554437650	/nfs/dbraw/zinc/43/76/50/554437650.db2.gz	IOQIJUVWFDSKFZ-HJGQOHIQSA-N	-2	1	507.083	-1.272	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2F)c(=O)[nH]1	ZINC000101783189	554838540	/nfs/dbraw/zinc/83/85/40/554838540.db2.gz	KYEUAYQSPABKRL-DXTOWSMRSA-N	-3	1	525.172	-1.359	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2F)c(=O)[nH]1	ZINC000101783189	554838537	/nfs/dbraw/zinc/83/85/37/554838537.db2.gz	KYEUAYQSPABKRL-DXTOWSMRSA-N	-3	1	525.172	-1.359	50	0		KAAAML
CO[C@@H]1[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000101783231	554838401	/nfs/dbraw/zinc/83/84/01/554838401.db2.gz	GMUJBFZJAFFHIW-KQYNXXCUSA-N	-3	1	537.208	-1.682	50	0		KAAAML
CO[C@@H]1[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O	ZINC000101783231	554838398	/nfs/dbraw/zinc/83/83/98/554838398.db2.gz	GMUJBFZJAFFHIW-KQYNXXCUSA-N	-3	1	537.208	-1.682	50	0		KAAAML
[NH3+]CCCc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000103753261	1066232285	/nfs/dbraw/zinc/23/22/85/1066232285.db2.gz	CTDNMWQIQIIADL-UTLUCORTSA-N	-2	1	525.237	-1.580	50	0		KAAAML
[NH3+]CCCc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000103753261	1066232270	/nfs/dbraw/zinc/23/22/70/1066232270.db2.gz	CTDNMWQIQIIADL-UTLUCORTSA-N	-2	1	525.237	-1.580	50	0		KAAAML
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-])C(C)C	ZINC000136432548	571449384	/nfs/dbraw/zinc/44/93/84/571449384.db2.gz	QNZANUZIBYJBIN-XSWJXKHESA-N	-2	1	539.546	-2.608	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4nc(N)[nH]c5=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000169730837	571559663	/nfs/dbraw/zinc/55/96/63/571559663.db2.gz	RELSGTOCAPVUGP-MHARETSRSA-N	-5	1	948.368	-3.743	50	0		KAAAML
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)[C@H]([P@](=O)([O-])O)[C@@H]3O)[C@@H](O)[C@H]2O)c1	ZINC000169731011	571559794	/nfs/dbraw/zinc/55/97/94/571559794.db2.gz	CFVAQAKWKZNCHG-NNYOXOHSSA-O	-2	1	728.418	-2.831	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000256822904	572305758	/nfs/dbraw/zinc/30/57/58/572305758.db2.gz	PHBDHXOBFUBCJD-GAWUUDPSSA-N	-3	1	521.209	-1.813	50	0		KAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])C[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000256822907	572305777	/nfs/dbraw/zinc/30/57/77/572305777.db2.gz	PHBDHXOBFUBCJD-XJCFNFQFSA-N	-3	1	521.209	-1.813	50	0		KAAAML
NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000257373202	572322340	/nfs/dbraw/zinc/32/23/40/572322340.db2.gz	QLLWULMEPVZWTP-HTUFRPJOSA-N	-3	1	788.768	-2.811	50	0		KAAAML
NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000257373203	572322323	/nfs/dbraw/zinc/32/23/23/572322323.db2.gz	QLLWULMEPVZWTP-NLPWIYRPSA-N	-3	1	788.768	-2.811	50	0		KAAAML
NCC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1	ZINC000257373204	572322335	/nfs/dbraw/zinc/32/23/35/572322335.db2.gz	QLLWULMEPVZWTP-QOXFPCGXSA-N	-3	1	788.768	-2.811	50	0		KAAAML