smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+]1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000011592905	562957401	/nfs/dbraw/zinc/95/74/01/562957401.db2.gz	KORNTPPJEAJQIU-UNWVZKJWSA-N	2	1	451.615	3.194	50	30		JGEAMP
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000014742847	519290141	/nfs/dbraw/zinc/29/01/41/519290141.db2.gz	VQUJKYSNMMCFJB-QHCPKHFHSA-N	2	1	479.694	3.370	50	30		JGEAMP
C=CC[N@H+]1C[C@H](C(=O)N(CCC[NH+](C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21	ZINC000003800008	194361584	/nfs/dbraw/zinc/36/15/84/194361584.db2.gz	KORNTPPJEAJQIU-KJXAQDMKSA-N	2	1	451.615	3.194	50	30	fda	JGEAMP
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000014742848	519289278	/nfs/dbraw/zinc/28/92/78/519289278.db2.gz	VQUJKYSNMMCFJB-HSZRJFAPSA-N	2	1	479.694	3.370	50	30		JGEAMP