smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)cc1	ZINC000028863605	717116220	/nfs/dbraw/zinc/11/62/20/717116220.db2.gz	SRSKXXPERFQRQE-UHFFFAOYSA-O	2	0	609.235	6.456	1	50		KKGFRP
COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl	ZINC000085493553	717136398	/nfs/dbraw/zinc/13/63/98/717136398.db2.gz	UFXNUZKIUPEJCX-FRLPWZOJSA-N	2	0	721.722	8.585	1	50	biogenic,in-vitro	KKGFRP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(CCl)CC3	ZINC000238779369	717163057	/nfs/dbraw/zinc/16/30/57/717163057.db2.gz	YYCNCBZJRSGSGJ-WLSCIIQRSA-N	2	0	721.722	8.585	1	50		KKGFRP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl	ZINC000238756091	717162601	/nfs/dbraw/zinc/16/26/01/717162601.db2.gz	UFXNUZKIUPEJCX-WLRAKEEZSA-N	2	0	721.722	8.585	1	50		KKGFRP
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3	ZINC000238745765	717162263	/nfs/dbraw/zinc/16/22/63/717162263.db2.gz	CLZXVJIVXLPLPS-WHNUPTRFSA-N	2	0	672.242	7.874	1	50		KKGFRP
CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000028863603	717116362	/nfs/dbraw/zinc/11/63/62/717116362.db2.gz	QQOQYSRVJHIFNC-UHFFFAOYSA-O	2	0	574.790	5.802	1	50		KKGFRP