smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000008740517	568927017	/nfs/dbraw/zinc/92/70/17/568927017.db2.gz	BQDDVTMGVMIQMR-HRHXGESTSA-N	0	1	431.409	-0.820	40	30		IBEBMN
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000008740518	568926933	/nfs/dbraw/zinc/92/69/33/568926933.db2.gz	BQDDVTMGVMIQMR-BPCXSFBWSA-N	0	1	431.409	-0.820	40	30		IBEBMN
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	ZINC000008740519	568926980	/nfs/dbraw/zinc/92/69/80/568926980.db2.gz	BQDDVTMGVMIQMR-GEYFKMQXSA-N	0	1	431.409	-0.820	40	30		IBEBMN
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)ccc1O	ZINC000008740520	568926972	/nfs/dbraw/zinc/92/69/72/568926972.db2.gz	BQDDVTMGVMIQMR-DCEWSRMLSA-N	0	1	431.409	-0.820	40	30		IBEBMN
COc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000008964846	568927604	/nfs/dbraw/zinc/92/76/04/568927604.db2.gz	VXUKDVBPBWVORY-DOGBCNCTSA-N	0	1	445.436	-0.517	40	30		IBEBMN
COc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000008964847	568927452	/nfs/dbraw/zinc/92/74/52/568927452.db2.gz	VXUKDVBPBWVORY-UUYOQAHCSA-N	0	1	445.436	-0.517	40	30		IBEBMN
COc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000008964848	568927582	/nfs/dbraw/zinc/92/75/82/568927582.db2.gz	VXUKDVBPBWVORY-UZNLVSKRSA-N	0	1	445.436	-0.517	40	30		IBEBMN
COc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1OC	ZINC000008964849	568927448	/nfs/dbraw/zinc/92/74/48/568927448.db2.gz	VXUKDVBPBWVORY-VDUIDDSZSA-N	0	1	445.436	-0.517	40	30		IBEBMN
CCOc1ccc(CN=Nc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)c1	ZINC000018996668	556691376	/nfs/dbraw/zinc/69/13/76/556691376.db2.gz	TWEGSIZLJUEXBT-UDAWVJFNSA-N	0	1	446.420	-0.719	40	30		IBEBMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1O	ZINC000035188411	555985198	/nfs/dbraw/zinc/98/51/98/555985198.db2.gz	JNCRHPSBJBTLRV-RENLKTSBSA-N	0	1	446.420	-0.719	40	30		IBEBMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1O	ZINC000035188413	555985221	/nfs/dbraw/zinc/98/52/21/555985221.db2.gz	JNCRHPSBJBTLRV-RCQJPXFLSA-N	0	1	446.420	-0.719	40	30		IBEBMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1O	ZINC000035188416	555985230	/nfs/dbraw/zinc/98/52/30/555985230.db2.gz	JNCRHPSBJBTLRV-GXBZQVFASA-N	0	1	446.420	-0.719	40	30		IBEBMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1O	ZINC000035188417	555985280	/nfs/dbraw/zinc/98/52/80/555985280.db2.gz	JNCRHPSBJBTLRV-GEYPVCLCSA-N	0	1	446.420	-0.719	40	30		IBEBMN
CN1CCN(CCCN2CNC(=NS(=O)(=O)c3cccc4nsnc43)NC2)CC1	ZINC000040387488	523896724	/nfs/dbraw/zinc/89/67/24/523896724.db2.gz	QTZZIYVSVUQHAL-UHFFFAOYSA-N	0	1	438.583	-0.217	40	30		IBEBMN
C=C1C(=O)C2=C(C(=O)C1OC)[C@@H](CO)N1[C@@H](C#N)[C@H]3C[C@H]4[C@H]5OCCN5[C@H]2[C@@H]1[C@H]4N3C	ZINC000066147875	568795050	/nfs/dbraw/zinc/79/50/50/568795050.db2.gz	KDWXMIJUXUSUMZ-APVGYYMTSA-N	0	1	426.473	-0.965	40	30	in-vitro	IBEBMN
C=C1C(=O)C2=C(C(=O)C1OC)[C@@H](CO)N1[C@@H](C#N)[C@H]3C[C@H]4[C@H]5OCCN5[C@@H]2[C@@H]1[C@H]4N3C	ZINC000066147878	568794927	/nfs/dbraw/zinc/79/49/27/568794927.db2.gz	KDWXMIJUXUSUMZ-ZEVRFQOOSA-N	0	1	426.473	-0.965	40	30	in-vitro	IBEBMN
C=C1C(=O)C2=C(C(=O)C1OC)[C@@H](CO)N1[C@@H](C#N)[C@H]3C[C@H]4[C@H]5OCCN5[C@H]2[C@H]1[C@H]4N3C	ZINC000066147881	522649434	/nfs/dbraw/zinc/64/94/34/522649434.db2.gz	KDWXMIJUXUSUMZ-RKMDEDHESA-N	0	1	426.473	-0.965	40	30	in-vitro	IBEBMN
C=C1C(=O)C2=C(C(=O)C1OC)[C@@H](CO)N1[C@@H](C#N)[C@H]3C[C@H]4[C@H]5OCCN5[C@@H]2[C@H]1[C@H]4N3C	ZINC000066147884	522650034	/nfs/dbraw/zinc/65/00/34/522650034.db2.gz	KDWXMIJUXUSUMZ-NUBPUNAMSA-N	0	1	426.473	-0.965	40	30	in-vitro	IBEBMN