smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(CC[NH3+])[NH2+]CCC(=O)[O-]	169309027	171165611	/nfs/dbraw/zinc/16/56/11/171165611.db2.gz	MSGSUTIQUWEKRQ-UHFFFAOYSA-O	2	2	176.240	-0.999	1	5		ABBFLP
C[NH2+][C@@H]1[C@H]2[C@@H]3CC[N+]2(C=O)C[C@H]1O3	238743201	717162045	/nfs/dbraw/zinc/16/20/45/717162045.db2.gz	SEMUJWQAGBXGGP-QJIJMEBASA-N	2	2	183.231	-0.899	1	5		ABBFLP
C[NH2+][C@@H]1[C@H]2[C@@H]3CC[N+]2(C(C)=O)C[C@H]1O3	238751897	717162699	/nfs/dbraw/zinc/16/26/99/717162699.db2.gz	MMQFFGFTDZPGER-GFGCTHQUSA-N	2	2	197.258	-0.509	1	5		ABBFLP