smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@@H+](CCCCCC[NH2+]CCOc1ccccc1OC)CCc1ccc(O)c(O)c1	ZINC000026718591	563035534	/nfs/dbraw/zinc/03/55/34/563035534.db2.gz	JWAHJPGSLCMRBJ-UHFFFAOYSA-N	2	1	444.616	4.590	1	10		IJCFMP
O=C(Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccc(C(F)(F)F)cc1	ZINC000028764908	563063980	/nfs/dbraw/zinc/06/39/80/563063980.db2.gz	NGCIWGKUEGTVPX-UHFFFAOYSA-N	2	1	447.501	4.855	1	10		IJCFMP
O=C(Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccccc1C(F)(F)F	ZINC000028763767	563063878	/nfs/dbraw/zinc/06/38/78/563063878.db2.gz	VDAGIILMFNJXLB-UHFFFAOYSA-N	2	1	447.501	4.855	1	10		IJCFMP
O=C(Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1cccc(C(F)(F)F)c1	ZINC000028764568	563064036	/nfs/dbraw/zinc/06/40/36/563064036.db2.gz	LVMQQISFBUHCMK-UHFFFAOYSA-N	2	1	447.501	4.855	1	10		IJCFMP