smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCN1CC[NH+](Cc2ccc(N)cc2)CC1	ZINC000061642259	521765448	/nfs/dbraw/zinc/76/54/48/521765448.db2.gz	SUDJPPFTBXJXRW-UHFFFAOYSA-N	2	0	262.401	0.948	10	10		CCCERP
CN(C)c1ccc(C[NH2+]CCC[NH2+]CCO)cc1	ZINC000013733158	348030480	/nfs/dbraw/zinc/03/04/80/348030480.db2.gz	HAPNBQOYGDKIHZ-UHFFFAOYSA-N	2	0	251.374	0.814	10	10		CCCERP
C[C@@H](c1ccc(O)cc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030927	174023599	/nfs/dbraw/zinc/02/35/99/174023599.db2.gz	YZGIDRKENGHLLM-NSHDSACASA-N	2	0	293.367	0.522	10	10		CCCERP
C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(O)cc1O	ZINC000071148880	176044604	/nfs/dbraw/zinc/04/46/04/176044604.db2.gz	FAYMOXUWJFCPEK-UHFFFAOYSA-N	2	0	265.357	0.435	10	10		CCCERP
C[C@H](c1ccccc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030948	174023215	/nfs/dbraw/zinc/02/32/15/174023215.db2.gz	KUBGERFNDQFMMH-GFCCVEGCSA-N	2	0	277.368	0.817	10	10		CCCERP
C[NH+]1CCN(CCC[NH2+]Cc2ccc(O)c(O)c2)CC1	ZINC000020128359	171014307	/nfs/dbraw/zinc/01/43/07/171014307.db2.gz	VBNSZTZKQCIGAL-UHFFFAOYSA-N	2	0	279.384	0.825	10	10		CCCERP
C[C@H](c1ccc(O)cc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030928	174023275	/nfs/dbraw/zinc/02/32/75/174023275.db2.gz	YZGIDRKENGHLLM-LLVKDONJSA-N	2	0	293.367	0.522	10	10		CCCERP
C[C@@H](c1ccccc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030947	174024013	/nfs/dbraw/zinc/02/40/13/174024013.db2.gz	KUBGERFNDQFMMH-LBPRGKRZSA-N	2	0	277.368	0.817	10	10		CCCERP