smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000001637602	562923453	/nfs/dbraw/zinc/92/34/53/562923453.db2.gz	ZUQBAQVRAURMCL-WFASDCNBSA-N	-2	1	443.460	0.617	10	0	in-vivo	ICAEML
Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000004658141	562943454	/nfs/dbraw/zinc/94/34/54/562943454.db2.gz	ZUQBAQVRAURMCL-SWLSCSKDSA-N	-2	1	443.460	0.617	10	0		ICAEML
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000004658144	562943468	/nfs/dbraw/zinc/94/34/68/562943468.db2.gz	ZUQBAQVRAURMCL-IUODEOHRSA-N	-2	1	443.460	0.617	10	0	in-vivo	ICAEML
Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])o1)CN2	ZINC000006142389	562946213	/nfs/dbraw/zinc/94/62/13/562946213.db2.gz	XRFATXPLBQDDGE-CABZTGNLSA-N	-2	1	433.421	0.210	10	0		ICAEML
C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000013516370	562991081	/nfs/dbraw/zinc/99/10/81/562991081.db2.gz	IACQCQDWSIQSRP-ZCFIWIBFSA-N	-3	1	447.174	0.183	10	0	in-vitro	ICAEML
C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013516370	562991079	/nfs/dbraw/zinc/99/10/79/562991079.db2.gz	IACQCQDWSIQSRP-ZCFIWIBFSA-N	-3	1	447.174	0.183	10	0	in-vitro	ICAEML
C[C@@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000013516399	562991065	/nfs/dbraw/zinc/99/10/65/562991065.db2.gz	IACQCQDWSIQSRP-LURJTMIESA-N	-3	1	447.174	0.183	10	0	in-man	ICAEML
C[C@@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000013516399	562991064	/nfs/dbraw/zinc/99/10/64/562991064.db2.gz	IACQCQDWSIQSRP-LURJTMIESA-N	-3	1	447.174	0.183	10	0	in-man	ICAEML
O=C([O-])[C@@H]1O[C@H](Oc2ccc([C@@H]3CC(=O)c4c(O)cc([O-])cc4O3)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000014806751	557457223	/nfs/dbraw/zinc/45/72/23/557457223.db2.gz	DFIUUCDSSKATFP-AIRNPFOWSA-N	-2	1	448.380	0.075	10	0	in-vitro	ICAEML
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000065743144	556837809	/nfs/dbraw/zinc/83/78/09/556837809.db2.gz	ZIXNNHANGXIXPX-YUELXQCFSA-N	-2	1	443.460	0.146	10	0	in-vitro	ICAEML
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000065743145	556837772	/nfs/dbraw/zinc/83/77/72/556837772.db2.gz	ZIXNNHANGXIXPX-SNPRPXQTSA-N	-2	1	443.460	0.146	10	0	in-vitro	ICAEML
O=C([O-])[C@@H]1O[C@H](Oc2ccc([C@H]3CC(=O)c4c(O)cc([O-])cc4O3)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077311549	569293508	/nfs/dbraw/zinc/29/35/08/569293508.db2.gz	DFIUUCDSSKATFP-YBTGAFFXSA-N	-2	1	448.380	0.075	10	0	in-vitro	ICAEML
O=C([O-])[C@H]1O[C@@H](Oc2ccc([C@H]3CC(=O)c4c(O)cc([O-])cc4O3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000095620855	557159580	/nfs/dbraw/zinc/15/95/80/557159580.db2.gz	DFIUUCDSSKATFP-ZJIWIORTSA-N	-2	1	448.380	0.075	10	0	endogenous,in-man	ICAEML