smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2nc(I)nc1-2	ZINC000004771590	557596487	/nfs/dbraw/zinc/59/64/87/557596487.db2.gz	OENNLXCFPRBGMF-VCAJRUBLSA-N	0	2	409.140	-2.082	40	0		HAABLN
Nc1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c2nc(I)nc1-2	ZINC000004771591	557596466	/nfs/dbraw/zinc/59/64/66/557596466.db2.gz	OENNLXCFPRBGMF-REZRJACNSA-N	0	2	409.140	-2.082	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385243	557649878	/nfs/dbraw/zinc/64/98/78/557649878.db2.gz	URLYINUFLXOMHP-BUGNERGVSA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385243	557649876	/nfs/dbraw/zinc/64/98/76/557649876.db2.gz	URLYINUFLXOMHP-BUGNERGVSA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385244	557649887	/nfs/dbraw/zinc/64/98/87/557649887.db2.gz	URLYINUFLXOMHP-FCCZHNFCSA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]3O)c3ncnc1c23	ZINC000005385244	557649885	/nfs/dbraw/zinc/64/98/85/557649885.db2.gz	URLYINUFLXOMHP-FCCZHNFCSA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000005385245	557650122	/nfs/dbraw/zinc/65/01/22/557650122.db2.gz	URLYINUFLXOMHP-DUWABBFASA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000005385245	557650120	/nfs/dbraw/zinc/65/01/20/557650120.db2.gz	URLYINUFLXOMHP-DUWABBFASA-N	0	2	400.288	-1.371	40	0		HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000015721529	558749629	/nfs/dbraw/zinc/74/96/29/558749629.db2.gz	CSVCLHYFVGHUCM-AVGNSLFASA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000015721529	558749627	/nfs/dbraw/zinc/74/96/27/558749627.db2.gz	CSVCLHYFVGHUCM-AVGNSLFASA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
Cn1[nH+]c(N)c2cn([C@@H]3O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000017104328	571310866	/nfs/dbraw/zinc/31/08/66/571310866.db2.gz	URLYINUFLXOMHP-VPFIQFBESA-N	0	2	400.288	-1.371	40	0		HAABLN
Cn1[nH+]c(N)c2cn([C@@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]3O)c3ncnc1c23	ZINC000017104328	571310865	/nfs/dbraw/zinc/31/08/65/571310865.db2.gz	URLYINUFLXOMHP-VPFIQFBESA-N	0	2	400.288	-1.371	40	0		HAABLN
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(I)c(=O)[nH]1	ZINC000017175365	558824834	/nfs/dbraw/zinc/82/48/34/558824834.db2.gz	WSORRFJIALBNLK-FJFJXFQQSA-N	0	2	415.209	-1.053	40	0		HAABLN
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(I)c(=O)[nH]1	ZINC000017175366	558824879	/nfs/dbraw/zinc/82/48/79/558824879.db2.gz	WSORRFJIALBNLK-ICKFSKTQSA-N	0	2	415.209	-1.053	40	0		HAABLN
Nc1n[nH]c(NC(=O)C2=NS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc3N2)n1	ZINC000017213245	571310960	/nfs/dbraw/zinc/31/09/60/571310960.db2.gz	NVMNUUPSFVMQKX-UHFFFAOYSA-N	0	2	420.820	-1.719	40	0		HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000028631749	558702791	/nfs/dbraw/zinc/70/27/91/558702791.db2.gz	CSVCLHYFVGHUCM-XQQFMLRXSA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000028631749	558702789	/nfs/dbraw/zinc/70/27/89/558702789.db2.gz	CSVCLHYFVGHUCM-XQQFMLRXSA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789738	558912163	/nfs/dbraw/zinc/91/21/63/558912163.db2.gz	CSVCLHYFVGHUCM-AGIUHOORSA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789738	558912160	/nfs/dbraw/zinc/91/21/60/558912160.db2.gz	CSVCLHYFVGHUCM-AGIUHOORSA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789739	558912252	/nfs/dbraw/zinc/91/22/52/558912252.db2.gz	CSVCLHYFVGHUCM-UPJWGTAASA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000071789739	558912249	/nfs/dbraw/zinc/91/22/49/558912249.db2.gz	CSVCLHYFVGHUCM-UPJWGTAASA-N	0	2	420.426	-2.093	40	0	in-vitro	HAABLN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])[C@@H](O)[C@H]1O	ZINC000257202990	568776946	/nfs/dbraw/zinc/77/69/46/568776946.db2.gz	AOECPZWKBQQHMW-NRMQNWBOSA-N	0	2	418.370	-2.437	40	0		HAABLN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])[C@@H](O)[C@H]1O	ZINC000257202990	568776945	/nfs/dbraw/zinc/77/69/45/568776945.db2.gz	AOECPZWKBQQHMW-NRMQNWBOSA-N	0	2	418.370	-2.437	40	0		HAABLN
O=C(CCn1[nH]c(=O)ccc1=O)N1CCOC[C@]2(Cc3c([nH]c(=O)[nH]c3=O)O2)C1	ZINC000257245661	568789075	/nfs/dbraw/zinc/78/90/75/568789075.db2.gz	IQMWXWMGQYTYHG-KRWDZBQOSA-N	0	2	405.367	-1.227	40	0		HAABLN
O=C(CCn1[nH]c(=O)ccc1=O)N1CCOC[C@@]2(Cc3c([nH]c(=O)[nH]c3=O)O2)C1	ZINC000257245662	568789143	/nfs/dbraw/zinc/78/91/43/568789143.db2.gz	IQMWXWMGQYTYHG-QGZVFWFLSA-N	0	2	405.367	-1.227	40	0		HAABLN