smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC[NH2+]CCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000045287501	563128456	/nfs/dbraw/zinc/12/84/56/563128456.db2.gz	AYJYLOQYOYLSTL-UHFFFAOYSA-N	3	2	443.504	-0.173	1	10		IBCFLP
NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053229440	563141394	/nfs/dbraw/zinc/14/13/94/563141394.db2.gz	HYWRYOITIZTEES-MCXNIAKKSA-N	2	2	444.492	-0.339	1	10		IBCFLP
NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CCCC[NH3+])NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053229440	563141393	/nfs/dbraw/zinc/14/13/93/563141393.db2.gz	HYWRYOITIZTEES-MCXNIAKKSA-N	2	2	444.492	-0.339	1	10		IBCFLP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053313276	563142071	/nfs/dbraw/zinc/14/20/71/563142071.db2.gz	UXPNZJWOMMVNJB-MCXNIAKKSA-N	2	2	444.492	-0.339	1	10		IBCFLP
NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1ccc(O)c(O)c1	ZINC000053313276	563142069	/nfs/dbraw/zinc/14/20/69/563142069.db2.gz	UXPNZJWOMMVNJB-MCXNIAKKSA-N	2	2	444.492	-0.339	1	10		IBCFLP