smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2CO[C@@H](CO)CC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001538774	201359336	/nfs/dbraw/zinc/35/93/36/201359336.db2.gz	QVNXYSKNFUJRMI-ZCFIWIBFSA-N	-1	1	333.241	-1.395	1	0		EAAFMM
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@](=O)([O-])O)C[C@@H]2O)c(=O)[nH]1	ZINC000003842743	210077918	/nfs/dbraw/zinc/07/79/18/210077918.db2.gz	HJZVJSUNSQOECX-JKUQZMGJSA-N	-1	1	331.225	-1.645	1	0		EAAFMM
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	210081612	/nfs/dbraw/zinc/08/16/12/210081612.db2.gz	QITAGYVZDNZULE-PXSBVEPCSA-N	-1	1	329.242	-3.141	1	0		EAAFMM
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@](=O)([O-])O)C[C@@H]2O)c(N)n1	ZINC000003943274	210094664	/nfs/dbraw/zinc/09/46/64/210094664.db2.gz	WMKIVTALDPVUFZ-JKUQZMGJSA-N	-1	1	330.241	-1.356	1	0		EAAFMM
COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000005962747	560203961	/nfs/dbraw/zinc/20/39/61/560203961.db2.gz	WMRULULWXGOKDR-CFUOYWMPSA-N	-1	1	329.353	-1.225	1	0	in-vitro	EAAFMM
COC(=O)/C=C/C(=O)NC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000005962751	560203952	/nfs/dbraw/zinc/20/39/52/560203952.db2.gz	WMRULULWXGOKDR-AWAZDUCLSA-N	-1	1	329.353	-1.225	1	0	in-vitro	EAAFMM
CSc1nc2c(nc(N)n2[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000009703602	211116063	/nfs/dbraw/zinc/11/60/63/211116063.db2.gz	GDRCBFJQUZIOSW-HFXAWCPLSA-N	-1	1	329.338	-1.965	1	0		EAAFMM
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	211394357	/nfs/dbraw/zinc/39/43/57/211394357.db2.gz	QITAGYVZDNZULE-HMELBQQSSA-N	-1	1	329.242	-3.141	1	0		EAAFMM
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	211395442	/nfs/dbraw/zinc/39/54/42/211395442.db2.gz	QITAGYVZDNZULE-BWTWBLBVSA-N	-1	1	329.242	-3.141	1	0		EAAFMM
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	212219767	/nfs/dbraw/zinc/21/97/67/212219767.db2.gz	QITAGYVZDNZULE-WJYNVNEKSA-N	-1	1	329.242	-3.141	1	0		EAAFMM
Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@@H](O)[P@](=O)([O-])O)[C@@H]1CO	ZINC000026143820	202139192	/nfs/dbraw/zinc/13/91/92/202139192.db2.gz	RFGNCYZHZSYMIC-HQHIISTBSA-N	-1	1	331.225	-1.590	1	0		EAAFMM
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](OC[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000027767912	202160066	/nfs/dbraw/zinc/16/00/66/202160066.db2.gz	BCLMGFJGYYTZMW-QYNIQEEDSA-N	-1	1	345.252	-1.082	1	0		EAAFMM
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](OC[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000027767918	202160036	/nfs/dbraw/zinc/16/00/36/202160036.db2.gz	BCLMGFJGYYTZMW-XVMARJQXSA-N	-1	1	345.252	-1.082	1	0		EAAFMM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H]([P@](=O)([O-])O)O[C@@H]2CO)c(=O)[nH]1	ZINC000028762788	202177189	/nfs/dbraw/zinc/17/71/89/202177189.db2.gz	UIBLKTYKIBXPIF-FSDSQADBSA-N	-1	1	343.236	-1.306	1	0		EAAFMM
Nc1nc2c(ncn2[C@H]2C=C[C@@H]([P@](=O)([O-])O)O[C@@H]2CO)c(=O)[nH]1	ZINC000028762789	202176355	/nfs/dbraw/zinc/17/63/55/202176355.db2.gz	UIBLKTYKIBXPIF-RRKCRQDMSA-N	-1	1	343.236	-1.306	1	0		EAAFMM
O=C([O-])C[NH2+]CCN1CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029053163	202180983	/nfs/dbraw/zinc/18/09/83/202180983.db2.gz	CGKPVFVRGBODQC-UHFFFAOYSA-N	-1	1	346.384	-2.251	1	0		EAAFMM
C[C@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)NCC(=O)C(F)(F)F	ZINC000029123351	212652516	/nfs/dbraw/zinc/65/25/16/212652516.db2.gz	MKTNGEKTIQHTIL-WDSKDSINSA-N	-1	1	327.259	-1.069	1	0		EAAFMM
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	213003572	/nfs/dbraw/zinc/00/35/72/213003572.db2.gz	DXQASGAWSKQGQC-PMPOVCSBSA-N	-1	1	338.209	-3.306	1	0		EAAFMM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000034985943	213004140	/nfs/dbraw/zinc/00/41/40/213004140.db2.gz	TWLLPPNWXLNVCC-PMPOVCSBSA-N	-1	1	337.225	-3.017	1	0		EAAFMM
NC(=O)CC[C@H](N)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000036519727	213099828	/nfs/dbraw/zinc/09/98/28/213099828.db2.gz	SYZZMPFLOLSMHL-CIUDSAMLSA-N	-1	1	330.341	-2.868	1	0		EAAFMM
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@](O)([P@](=O)([O-])O)C[C@@H]1O	ZINC000040860927	213394339	/nfs/dbraw/zinc/39/43/39/213394339.db2.gz	DSSKJOUOHJGWTO-NHETZVSYSA-N	-1	1	345.241	-3.821	1	0		EAAFMM
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@](O)([P@@](=O)([O-])O)C[C@@H]1O	ZINC000040860927	213394336	/nfs/dbraw/zinc/39/43/36/213394336.db2.gz	DSSKJOUOHJGWTO-NHETZVSYSA-N	-1	1	345.241	-3.821	1	0		EAAFMM
O=c1ccoc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c12	ZINC000040974170	560078765	/nfs/dbraw/zinc/07/87/65/560078765.db2.gz	IMVRWUJCOBUHCO-TVKJYDDYSA-N	-1	1	340.284	-1.323	1	0	biogenic,in-vitro	EAAFMM
O=c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occc([O-])c1-2	ZINC000040974170	560078764	/nfs/dbraw/zinc/07/87/64/560078764.db2.gz	IMVRWUJCOBUHCO-TVKJYDDYSA-N	-1	1	340.284	-1.323	1	0	biogenic,in-vitro	EAAFMM
Nc1nc2c(sc(=S)n2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000049018116	213976091	/nfs/dbraw/zinc/97/60/91/213976091.db2.gz	YYCCZEMOOBGSEF-ZZGSYZFTSA-N	-1	1	332.363	-1.291	1	0		EAAFMM
Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@H](=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000049792602	214032591	/nfs/dbraw/zinc/03/25/91/214032591.db2.gz	NKPRSPKWPQPFTK-BDXYJKHTSA-N	-1	1	347.224	-1.868	1	0		EAAFMM
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@H](=O)[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000049792603	214032610	/nfs/dbraw/zinc/03/26/10/214032610.db2.gz	NKPRSPKWPQPFTK-UUOKFMHZSA-N	-1	1	347.224	-1.868	1	0		EAAFMM
C[C@]1(CO)O[C@@H](n2c3nc(N)[n-]c(=O)c3sc2=O)[C@H](O)[C@@H]1O	ZINC000049792642	214032580	/nfs/dbraw/zinc/03/25/80/214032580.db2.gz	FKQVKBBOICZYHQ-FJMOORSJSA-N	-1	1	330.322	-2.270	1	0		EAAFMM
C[C@]1(CO)O[C@H](n2c3nc(N)[n-]c(=O)c3sc2=O)[C@H](O)[C@@H]1O	ZINC000049792643	214032866	/nfs/dbraw/zinc/03/28/66/214032866.db2.gz	FKQVKBBOICZYHQ-MFZWQMPWSA-N	-1	1	330.322	-2.270	1	0		EAAFMM
Nc1nc2c(ncn2CCO[C@@H](CO)C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000072177543	216066266	/nfs/dbraw/zinc/06/62/66/216066266.db2.gz	DOSXPBXUTXZEJX-LURJTMIESA-N	-1	1	333.241	-1.743	1	0		EAAFMM
Nc1nc2c(ncn2CCO[C@H](CO)C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000072177544	216066079	/nfs/dbraw/zinc/06/60/79/216066079.db2.gz	DOSXPBXUTXZEJX-ZCFIWIBFSA-N	-1	1	333.241	-1.743	1	0		EAAFMM
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	216374037	/nfs/dbraw/zinc/37/40/37/216374037.db2.gz	FUFOHGCOOQKEEN-PHXRMZQKSA-N	-1	1	332.249	-1.613	1	0		EAAFMM
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	ZINC000169308916	226238752	/nfs/dbraw/zinc/23/87/52/226238752.db2.gz	DXQASGAWSKQGQC-DFPOFIQKSA-N	-1	1	338.209	-3.306	1	0		EAAFMM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000169308923	226240732	/nfs/dbraw/zinc/24/07/32/226240732.db2.gz	TWLLPPNWXLNVCC-DFPOFIQKSA-N	-1	1	337.225	-3.017	1	0		EAAFMM
Nc1ccn([C@@H]2O[C@H]([C@H](O)C[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000169308929	226240841	/nfs/dbraw/zinc/24/08/41/226240841.db2.gz	TWLLPPNWXLNVCC-GPMKSPRZSA-N	-1	1	337.225	-3.017	1	0		EAAFMM
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	226240767	/nfs/dbraw/zinc/24/07/67/226240767.db2.gz	DXQASGAWSKQGQC-DDIGBBAMSA-N	-1	1	338.209	-3.306	1	0		EAAFMM
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	226240405	/nfs/dbraw/zinc/24/04/05/226240405.db2.gz	DXQASGAWSKQGQC-IHMGDUAMSA-N	-1	1	338.209	-3.306	1	0		EAAFMM