smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2OC)cc1	ZINC000218064237	571603181	/nfs/dbraw/zinc/60/31/81/571603181.db2.gz	WEXAXJJNZBNQSU-NRFANRHFSA-N	0	1	544.556	5.089	50	70	biogenic	KKIAMN
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000218058100	571603203	/nfs/dbraw/zinc/60/32/03/571603203.db2.gz	WFSUMPNNSFGHQB-OAQYLSRUSA-N	0	1	556.567	5.016	50	70	biogenic	KKIAMN
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCCc1ccccc1	ZINC000217984378	571603069	/nfs/dbraw/zinc/60/30/69/571603069.db2.gz	DAZCCQHHHGPSOI-FQEVSTJZSA-N	0	1	514.530	5.081	50	70	biogenic	KKIAMN
COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000218122893	571603751	/nfs/dbraw/zinc/60/37/51/571603751.db2.gz	SBGHXFWRTKOHQM-NRFANRHFSA-N	0	1	544.556	5.089	50	70	biogenic	KKIAMN
COc1ccc(CCOc2cccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccc(OC)c(O)c6)oc-5c43)c2)cc1	ZINC000218060078	571603233	/nfs/dbraw/zinc/60/32/33/571603233.db2.gz	XFLWUZUZXDVUCQ-DEOSSOPVSA-N	0	1	580.589	5.951	50	70	biogenic	KKIAMN
COc1ccc(CCOc2cccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)cc(-c6ccc(OC)c(O)c6)oc-5c43)c2)cc1	ZINC000218060153	571603263	/nfs/dbraw/zinc/60/32/63/571603263.db2.gz	XFLWUZUZXDVUCQ-XMMPIXPASA-N	0	1	580.589	5.951	50	70	biogenic	KKIAMN
COc1cccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c1OCCc1ccccc1	ZINC000217975532	571602970	/nfs/dbraw/zinc/60/29/70/571602970.db2.gz	VTIYSFRVDUBXRD-FQEVSTJZSA-N	0	1	514.530	5.081	50	70	biogenic	KKIAMN
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OCCc1ccc2c(c1)CCO2	ZINC000218058037	571603173	/nfs/dbraw/zinc/60/31/73/571603173.db2.gz	WFSUMPNNSFGHQB-NRFANRHFSA-N	0	1	556.567	5.016	50	70	biogenic	KKIAMN
COc1cccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c1OCCc1ccccc1	ZINC000217975626	571603066	/nfs/dbraw/zinc/60/30/66/571603066.db2.gz	VTIYSFRVDUBXRD-HXUWFJFHSA-N	0	1	514.530	5.081	50	70	biogenic	KKIAMN
COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1	ZINC000218122968	571603739	/nfs/dbraw/zinc/60/37/39/571603739.db2.gz	SBGHXFWRTKOHQM-OAQYLSRUSA-N	0	1	544.556	5.089	50	70	biogenic	KKIAMN
Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Oc3ccc(Br)c4ccccc34)c(Cl)c2)cc1	ZINC000159694630	571530619	/nfs/dbraw/zinc/53/06/19/571530619.db2.gz	TXNHKIPIQQHSPD-UHFFFAOYSA-N	0	1	700.836	9.172	50	70		KKIAMN
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCCc1ccccc1	ZINC000217984460	571603028	/nfs/dbraw/zinc/60/30/28/571603028.db2.gz	DAZCCQHHHGPSOI-HXUWFJFHSA-N	0	1	514.530	5.081	50	70	biogenic	KKIAMN
COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4c(C(C)=O)c(O)c5c(C)cc(=O)oc5c43)cc2OC)cc1	ZINC000218064326	571603196	/nfs/dbraw/zinc/60/31/96/571603196.db2.gz	WEXAXJJNZBNQSU-OAQYLSRUSA-N	0	1	544.556	5.089	50	70	biogenic	KKIAMN