smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1F	ZINC000161507814	522563929	/nfs/dbraw/zinc/56/39/29/522563929.db2.gz	MDIDQQWEZZRDFE-HNNXBMFYSA-N	2	2	298.833	4.004	20	70		CIIDLP
CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(Cl)c1F	ZINC000161507937	522811179	/nfs/dbraw/zinc/81/11/79/522811179.db2.gz	MDIDQQWEZZRDFE-OAHLLOKOSA-N	2	2	298.833	4.004	20	70		CIIDLP
Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)c1ccccc1	ZINC000159590875	327544699	/nfs/dbraw/zinc/54/46/99/327544699.db2.gz	ZGIHJGIDVVCISO-OAHLLOKOSA-N	2	2	293.414	4.086	20	70		CIIDLP
CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1	ZINC000217685808	333122840	/nfs/dbraw/zinc/12/28/40/333122840.db2.gz	JFBPZZIVTYYLIJ-BBWFWOEESA-N	2	2	292.854	4.008	20	70		CIIDLP
CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1	ZINC000217685808	333122842	/nfs/dbraw/zinc/12/28/42/333122842.db2.gz	JFBPZZIVTYYLIJ-BBWFWOEESA-N	2	2	292.854	4.008	20	70		CIIDLP
Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)c1ccccc1	ZINC000159590743	327544660	/nfs/dbraw/zinc/54/46/60/327544660.db2.gz	ZGIHJGIDVVCISO-HNNXBMFYSA-N	2	2	293.414	4.086	20	70		CIIDLP