smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C(=O)C1=CCC[N@+](C)(CCCCCC[N@@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1	ZINC000245231662	570056869	/nfs/dbraw/zinc/05/68/69/570056869.db2.gz	HNDVYBMXXUXLPW-ACHIHNKUSA-N	2	0	476.750	3.837	40	5		JHBBRP
C[C@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1	ZINC000005807961	525186843	/nfs/dbraw/zinc/18/68/43/525186843.db2.gz	JKIZXGSZFOUAAJ-NSOVKSMOSA-N	2	0	474.686	3.752	40	5		JHBBRP
CCN(CC)C(=O)C1=CCC[N@@+](C)(CCCCCC[N@@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1	ZINC000245231663	570056874	/nfs/dbraw/zinc/05/68/74/570056874.db2.gz	HNDVYBMXXUXLPW-MEKGRNQZSA-N	2	0	476.750	3.837	40	5		JHBBRP
C[C@@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1	ZINC000016957488	556188575	/nfs/dbraw/zinc/18/85/75/556188575.db2.gz	JKIZXGSZFOUAAJ-HNRBIFIRSA-N	2	0	474.686	3.752	40	5		JHBBRP
C[N+]1(CCNC(=O)CCCCCCC(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1	ZINC000013425496	555399573	/nfs/dbraw/zinc/39/95/73/555399573.db2.gz	GVVTYYJPBWHCCK-UHFFFAOYSA-P	2	0	452.728	3.601	40	5		JHBBRP
C[C@@](O)(c1ccc(OCCC[N+](C)(C)C)cc1)[C@](C)(O)c1ccc(OCCC[N+](C)(C)C)cc1	ZINC000005807956	525781420	/nfs/dbraw/zinc/78/14/20/525781420.db2.gz	JKIZXGSZFOUAAJ-VSGBNLITSA-N	2	0	474.686	3.752	40	5		JHBBRP
CCN(CC)C(=O)C1=CCC[N+](C)(CCCCCC[N+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1	ZINC000006511084	520442618	/nfs/dbraw/zinc/44/26/18/520442618.db2.gz	HNDVYBMXXUXLPW-UHFFFAOYSA-N	2	0	476.750	3.837	40	5		JHBBRP
CCN(CC)C(=O)C1=CCC[N@@+](C)(CCCCCC[N@+]2(C)CCC=C(C(=O)N(CC)CC)C2)C1	ZINC000245231664	570056883	/nfs/dbraw/zinc/05/68/83/570056883.db2.gz	HNDVYBMXXUXLPW-ROJLCIKYSA-N	2	0	476.750	3.837	40	5		JHBBRP