smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)CC[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817706	568820844	/nfs/dbraw/zinc/82/08/44/568820844.db2.gz	PGECJVZENBQDLL-HXUWFJFHSA-N	1	3	445.673	3.415	50	30		IGEAHO
COCC[NH+]1CCC(CN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]2CCCO2)CC1	ZINC000012714041	523811920	/nfs/dbraw/zinc/81/19/20/523811920.db2.gz	JPRGIWYONWKVTM-OAQYLSRUSA-N	1	3	434.646	3.210	50	30		IGEAHO
COCCN1CCC(C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]2CCCO2)CC1	ZINC000012714041	523811924	/nfs/dbraw/zinc/81/19/24/523811924.db2.gz	JPRGIWYONWKVTM-OAQYLSRUSA-N	1	3	434.646	3.210	50	30		IGEAHO
COCCN1CCC(C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@H]2CCCO2)CC1	ZINC000012714041	523811928	/nfs/dbraw/zinc/81/19/28/523811928.db2.gz	JPRGIWYONWKVTM-OAQYLSRUSA-N	1	3	434.646	3.210	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000002260568	522272977	/nfs/dbraw/zinc/27/29/77/522272977.db2.gz	QLBZSSBLPANOPC-WBRURWICSA-N	1	3	435.596	3.167	50	30		IGEAHO
COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@H]4CCC[N@H+]4C)c(C)c3O)n2)c1	ZINC000169678627	568989903	/nfs/dbraw/zinc/98/99/03/568989903.db2.gz	AHTWJWHMEYZGSU-LSDHHAIUSA-N	1	3	442.585	3.212	50	30		IGEAHO
COCC[NH+]1CCC(CN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]2CCCO2)CC1	ZINC000012714037	523812588	/nfs/dbraw/zinc/81/25/88/523812588.db2.gz	JPRGIWYONWKVTM-NRFANRHFSA-N	1	3	434.646	3.210	50	30		IGEAHO
COCCN1CCC(C[N@@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]2CCCO2)CC1	ZINC000012714037	523812593	/nfs/dbraw/zinc/81/25/93/523812593.db2.gz	JPRGIWYONWKVTM-NRFANRHFSA-N	1	3	434.646	3.210	50	30		IGEAHO
COCCN1CCC(C[N@H+](Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]2CCCO2)CC1	ZINC000012714037	523812600	/nfs/dbraw/zinc/81/26/00/523812600.db2.gz	JPRGIWYONWKVTM-NRFANRHFSA-N	1	3	434.646	3.210	50	30		IGEAHO
CCN(CC)CCn1c(N)[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21	ZINC000004551904	556000899	/nfs/dbraw/zinc/00/08/99/556000899.db2.gz	GMVQXAWEWMIRGG-UHFFFAOYSA-O	1	3	430.370	3.498	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000013756289	556300592	/nfs/dbraw/zinc/30/05/92/556300592.db2.gz	JFKRQKRKKFXDEQ-PVFDWLMNSA-N	1	3	449.623	3.163	50	30		IGEAHO
COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@@H]4CCC[N@@H+]4C)c(C)c3O)n2)c1	ZINC000101319790	557273098	/nfs/dbraw/zinc/27/30/98/557273098.db2.gz	AHTWJWHMEYZGSU-GJZGRUSLSA-N	1	3	442.585	3.212	50	30		IGEAHO
COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@@H]4CCC[N@H+]4C)c(C)c3O)n2)c1	ZINC000101319790	557273102	/nfs/dbraw/zinc/27/31/02/557273102.db2.gz	AHTWJWHMEYZGSU-GJZGRUSLSA-N	1	3	442.585	3.212	50	30		IGEAHO
CN(C(=O)CC[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1)C1CC[NH+](C)CC1	ZINC000011817705	568820824	/nfs/dbraw/zinc/82/08/24/568820824.db2.gz	PGECJVZENBQDLL-FQEVSTJZSA-N	1	3	445.673	3.415	50	30		IGEAHO
COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@H]4CCC[N@@H+]4C)c(C)c3O)n2)c1	ZINC000253388915	569264253	/nfs/dbraw/zinc/26/42/53/569264253.db2.gz	AHTWJWHMEYZGSU-HUUCEWRRSA-N	1	3	442.585	3.212	50	30		IGEAHO
COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@H]4CCC[N@H+]4C)c(C)c3O)n2)c1	ZINC000253388915	569264255	/nfs/dbraw/zinc/26/42/55/569264255.db2.gz	AHTWJWHMEYZGSU-HUUCEWRRSA-N	1	3	442.585	3.212	50	30		IGEAHO
COc1ccccc1CN1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C#Cc2ccccc2)C1	ZINC000012465035	524448313	/nfs/dbraw/zinc/44/83/13/524448313.db2.gz	AURFXSCSMBPQIZ-XMMPIXPASA-N	1	3	433.596	3.349	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000100273388	557396784	/nfs/dbraw/zinc/39/67/84/557396784.db2.gz	JFKRQKRKKFXDEQ-TTXZLZEXSA-N	1	3	449.623	3.163	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000100273390	557396767	/nfs/dbraw/zinc/39/67/67/557396767.db2.gz	JFKRQKRKKFXDEQ-UEIZDATPSA-N	1	3	449.623	3.163	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000008951275	569489880	/nfs/dbraw/zinc/48/98/80/569489880.db2.gz	JFKRQKRKKFXDEQ-NLKUQUHMSA-N	1	3	449.623	3.163	50	30		IGEAHO
CNS(=O)(=O)c1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000005493839	556818588	/nfs/dbraw/zinc/81/85/88/556818588.db2.gz	QLBZSSBLPANOPC-OJSPLJLUSA-N	1	3	435.596	3.167	50	30		IGEAHO