smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3ccc4ccn(CC[NH+](C)CCCCC[N@H+](C)CCn5ccc6ccc7nc8ccc(OC)cc8c7c6c5)cc4c3c2c1	ZINC000377807465	562895976	/nfs/dbraw/zinc/89/59/76/562895976.db2.gz	DLJHRGAAHYIUIQ-UHFFFAOYSA-N	2	1	678.881	8.750	10	5		KKBEMP
COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@@H]3[N+](C)(C)CC2	ZINC000014953567	561746739	/nfs/dbraw/zinc/74/67/39/561746739.db2.gz	JFJZZMVDLULRGK-VMPREFPWSA-O	2	1	609.743	6.701	10	5	in-vitro	KKBEMP
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3	ZINC000056898772	717130563	/nfs/dbraw/zinc/13/05/63/717130563.db2.gz	GMAJRXOYQVZSRJ-IOWSJCHKSA-N	2	1	637.797	7.307	10	5	in-man	KKBEMP
C[N+](CCN(CC[N@H+](CCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1	ZINC000159521271	717154615	/nfs/dbraw/zinc/15/46/15/717154615.db2.gz	BQOMRNIDXZYZSU-UHFFFAOYSA-N	2	1	702.023	9.540	10	5		KKBEMP
COc1cc2c3c(c1O)Oc1ccc(cc1)CC1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)CC3[N+](C)(C)CC2	ZINC000014953564	561746708	/nfs/dbraw/zinc/74/67/08/561746708.db2.gz	JFJZZMVDLULRGK-WDYNHAJCSA-O	2	1	609.743	6.701	10	5	in-vitro	KKBEMP
COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N+](C)(C)CC2	ZINC000030726926	717119512	/nfs/dbraw/zinc/11/95/12/717119512.db2.gz	MRNNKFDOEWDVRD-URLMMPGGSA-O	2	1	609.743	6.701	10	5	in-vitro	KKBEMP