smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@@H+]1CCc2ccccc2C1	ZINC000218294376	557189928	/nfs/dbraw/zinc/18/99/28/557189928.db2.gz	PYCTWQQPFGCARF-UHFFFAOYSA-N	2	2	444.579	2.971	50	70		IFIALP
Cn1c(C[NH+]2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[N@H+]1CCc2ccccc2C1	ZINC000218294376	557189930	/nfs/dbraw/zinc/18/99/30/557189930.db2.gz	PYCTWQQPFGCARF-UHFFFAOYSA-N	2	2	444.579	2.971	50	70		IFIALP
O=c1occ(C[NH+]2CCCCC2)c(O)c1CN1CC[NH+](CCOc2ccccc2)CC1	ZINC000218204317	557181757	/nfs/dbraw/zinc/18/17/57/557181757.db2.gz	UKYORUHTRJGLAJ-UHFFFAOYSA-N	2	2	427.545	2.528	50	70		IFIALP
O=c1cc(C[NH+]2CCCCC2)oc(CN2CC[NH+](CCOc3ccccc3)CC2)c1O	ZINC000218230778	557183339	/nfs/dbraw/zinc/18/33/39/557183339.db2.gz	QRWJWDGOUMFBOB-UHFFFAOYSA-N	2	2	427.545	2.528	50	70		IFIALP