smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(=O)c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(N)[nH]1	ZINC000257463037	203068640	/nfs/dbraw/zinc/06/86/40/203068640.db2.gz	KGNGTSCIQCLKEH-PTOWMRSTSA-N	0	1	304.259	-3.475	1	0	endogenous,in-man	DAAFMN
C[NH+](C)C[C@@H](Cn1ccc(N)nc1=O)OC[P@](=O)([O-])O	ZINC000040475237	183074357	/nfs/dbraw/zinc/07/43/57/183074357.db2.gz	JBOOYKIWLXTTBA-QMMMGPOBSA-N	0	1	306.259	-1.093	1	0		DAAFMN
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)nc1CC(F)(F)F	ZINC000040520084	183090445	/nfs/dbraw/zinc/09/04/45/183090445.db2.gz	ZELMDIQXLJNQQP-FSDSQADBSA-N	0	1	311.216	-1.323	1	0		DAAFMN
C[NH2+]Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=S)[n-]c1=O	ZINC000003869317	560190357	/nfs/dbraw/zinc/19/03/57/560190357.db2.gz	HXVKEKIORVUWDR-ODHVRURNSA-N	0	1	303.340	-2.137	1	0	in-vitro	DAAFMN
[NH3+][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CC[P@](=O)([O-])O)[C@H]1O	ZINC000073278357	191300068	/nfs/dbraw/zinc/30/00/68/191300068.db2.gz	REPYPGXNEFJARW-ZOQUXTDFSA-N	0	1	321.226	-2.310	1	0		DAAFMN
Nc1nc(=O)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(N)[nH]1	ZINC000004878658	181167071	/nfs/dbraw/zinc/16/70/71/181167071.db2.gz	KGNGTSCIQCLKEH-DSYKXORRSA-N	0	1	304.259	-3.887	1	0	in-man	DAAFMN
Cc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CN(C)C)[C@@H](O)[C@H]1O	ZINC000040406101	183062002	/nfs/dbraw/zinc/06/20/02/183062002.db2.gz	BDRUNDKEQQVJJG-QYVSTXNMSA-N	0	1	308.342	-1.102	1	0	in-vivo	DAAFMN
C[NH2+]Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=S)[n-]c1=O	ZINC000003869318	560190385	/nfs/dbraw/zinc/19/03/85/560190385.db2.gz	HXVKEKIORVUWDR-PYHGXSLLSA-N	0	1	303.340	-2.137	1	0	in-vitro	DAAFMN
C[NH2+]Cc1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=S)[n-]c1=O	ZINC000003869316	560190367	/nfs/dbraw/zinc/19/03/67/560190367.db2.gz	HXVKEKIORVUWDR-OKJYPTKPSA-N	0	1	303.340	-2.137	1	0	in-vitro	DAAFMN
Nc1nc(=O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(N)[nH]1	ZINC000257463036	203068294	/nfs/dbraw/zinc/06/82/94/203068294.db2.gz	KGNGTSCIQCLKEH-FWKNIVCOSA-N	0	1	304.259	-3.475	1	0	endogenous,in-man	DAAFMN
C[NH+](C)C[C@H](Cn1ccc(N)nc1=O)OC[P@](=O)([O-])O	ZINC000040475238	183074416	/nfs/dbraw/zinc/07/44/16/183074416.db2.gz	JBOOYKIWLXTTBA-MRVPVSSYSA-N	0	1	306.259	-1.093	1	0		DAAFMN
COC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	ZINC000040943049	183149931	/nfs/dbraw/zinc/14/99/31/183149931.db2.gz	CEZTWGUUIVXSPB-WOUKDFQISA-N	0	1	324.293	-1.588	1	0		DAAFMN
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)nc1CC(F)(F)F	ZINC000040520083	183090187	/nfs/dbraw/zinc/09/01/87/183090187.db2.gz	ZELMDIQXLJNQQP-QYNIQEEDSA-N	0	1	311.216	-1.323	1	0		DAAFMN
C[NH2+]Cc1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=S)[n-]c1=O	ZINC000003869315	560190378	/nfs/dbraw/zinc/19/03/78/560190378.db2.gz	HXVKEKIORVUWDR-WHQQTDPMSA-N	0	1	303.340	-2.137	1	0	in-vitro	DAAFMN
CN1CCN(c2nc3c(ncnc3N)n2C[C@H](O)CO)CC1	ZINC000002124459	180910991	/nfs/dbraw/zinc/91/09/91/180910991.db2.gz	PRVAREZPBWTFDH-VIFPVBQESA-N	0	1	307.358	-1.487	1	0		DAAFMN
Nc1nc2c(ncn2C[C@@H](C[NH3+])OC[P@](=O)([O-])O)c(N)n1	ZINC000003653405	181044206	/nfs/dbraw/zinc/04/42/06/181044206.db2.gz	FENFAHGXUBBCQN-RXMQYKEDSA-N	0	1	317.246	-1.530	1	0		DAAFMN
Nc1nc2c(ncn2C[C@H](C[NH3+])OC[P@](=O)([O-])O)c(N)n1	ZINC000003653408	181044405	/nfs/dbraw/zinc/04/44/05/181044405.db2.gz	FENFAHGXUBBCQN-YFKPBYRVSA-N	0	1	317.246	-1.530	1	0		DAAFMN