smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000216898038	570309129	/nfs/dbraw/zinc/30/91/29/570309129.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	3	2	393.576	0.415	50	70		GCIALP
CC[N@@H+](C)CC(=O)N1CCC([NH+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000216898038	570309132	/nfs/dbraw/zinc/30/91/32/570309132.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	3	2	393.576	0.415	50	70		GCIALP
CC[NH+](C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000216898038	570309135	/nfs/dbraw/zinc/30/91/35/570309135.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	3	2	393.576	0.415	50	70		GCIALP
CC[NH+](C)CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000216898038	570309138	/nfs/dbraw/zinc/30/91/38/570309138.db2.gz	LMGZVFPATSEDAN-GOSISDBHSA-N	3	2	393.576	0.415	50	70		GCIALP
CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000218128588	570325587	/nfs/dbraw/zinc/32/55/87/570325587.db2.gz	ZHLBKHFRRBHHTG-FCGDIQPGSA-N	2	2	379.526	0.946	50	70		GCIALP