smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1	ZINC000217687777	569881015	/nfs/dbraw/zinc/88/10/15/569881015.db2.gz	VCCYQJCBEHWWRL-MRXNPFEDSA-N	-2	3	467.433	4.154	50	70	biogenic	JIIAHL
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1OC	ZINC000217715133	569881148	/nfs/dbraw/zinc/88/11/48/569881148.db2.gz	FJMUMCOAIRZCRV-INIZCTEOSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c(OC)c1OC	ZINC000217747071	569881359	/nfs/dbraw/zinc/88/13/59/569881359.db2.gz	UGQFGHKXUDNVQY-MRXNPFEDSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1	ZINC000217687696	569881056	/nfs/dbraw/zinc/88/10/56/569881056.db2.gz	VCCYQJCBEHWWRL-INIZCTEOSA-N	-2	3	467.433	4.154	50	70	biogenic	JIIAHL
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1OC	ZINC000217787451	569881635	/nfs/dbraw/zinc/88/16/35/569881635.db2.gz	YYHSHBAUXHJXMW-INIZCTEOSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL
COc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)c(=O)[nH]c2c1	ZINC000217795552	569881558	/nfs/dbraw/zinc/88/15/58/569881558.db2.gz	IEEHFKPKNKEALB-QGZVFWFLSA-N	-2	3	497.459	4.162	50	70	biogenic	JIIAHL
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217599982	569880409	/nfs/dbraw/zinc/88/04/09/569880409.db2.gz	QBDKBEFGIFAVPT-LJQANCHMSA-N	-2	3	474.465	4.337	50	70	biogenic	JIIAHL
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1OC	ZINC000217715218	569881170	/nfs/dbraw/zinc/88/11/70/569881170.db2.gz	FJMUMCOAIRZCRV-MRXNPFEDSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc([O-])c(Cl)c1	ZINC000218249985	569883176	/nfs/dbraw/zinc/88/31/76/569883176.db2.gz	ILNVHNWIASZSAV-KRWDZBQOSA-N	-2	3	470.953	4.451	50	70		JIIAHL
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217769509	569881528	/nfs/dbraw/zinc/88/15/28/569881528.db2.gz	LFPDBFOYTNNSDY-SFHVURJKSA-N	-2	3	462.454	4.280	50	70	biogenic	JIIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](c2coc3ccccc3c2=O)CC(=O)O1	ZINC000217917787	569882134	/nfs/dbraw/zinc/88/21/34/569882134.db2.gz	GRMSCFVHQIWYNM-MRXNPFEDSA-N	-2	3	468.417	4.419	50	70	biogenic	JIIAHL
COc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)c(=O)c2c1	ZINC000217679443	569880958	/nfs/dbraw/zinc/88/09/58/569880958.db2.gz	CCBVNTRLQHRWDG-MRXNPFEDSA-N	-2	3	498.443	4.427	50	70	biogenic	JIIAHL
COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c1OC	ZINC000217871650	569881967	/nfs/dbraw/zinc/88/19/67/569881967.db2.gz	LXGYXDTUWSPDSC-MRXNPFEDSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c(OC)c1	ZINC000217642980	569880823	/nfs/dbraw/zinc/88/08/23/569880823.db2.gz	BVQRTXHUXFHRKB-QGZVFWFLSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217769404	569881547	/nfs/dbraw/zinc/88/15/47/569881547.db2.gz	LFPDBFOYTNNSDY-GOSISDBHSA-N	-2	3	462.454	4.280	50	70	biogenic	JIIAHL
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc2c1OCO2	ZINC000217751255	569881451	/nfs/dbraw/zinc/88/14/51/569881451.db2.gz	VZZNZHFMGMKKTL-OAHLLOKOSA-N	-2	3	474.421	4.050	50	70	biogenic	JIIAHL
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc2c1OCCO2	ZINC000217634413	569880838	/nfs/dbraw/zinc/88/08/38/569880838.db2.gz	UZUOVDQKMSPORX-INIZCTEOSA-N	-2	3	488.448	4.092	50	70	biogenic	JIIAHL
COC(=O)c1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1	ZINC000217737976	569881340	/nfs/dbraw/zinc/88/13/40/569881340.db2.gz	KXGWHUPEBWJYEJ-QGZVFWFLSA-N	-2	3	458.422	4.099	50	70	biogenic	JIIAHL
COc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)c(=O)[nH]c2c1	ZINC000217795485	569881613	/nfs/dbraw/zinc/88/16/13/569881613.db2.gz	IEEHFKPKNKEALB-KRWDZBQOSA-N	-2	3	497.459	4.162	50	70	biogenic	JIIAHL
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c(OC)c1OC	ZINC000217746988	569881395	/nfs/dbraw/zinc/88/13/95/569881395.db2.gz	UGQFGHKXUDNVQY-INIZCTEOSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc2c1OCO2	ZINC000217751177	569881413	/nfs/dbraw/zinc/88/14/13/569881413.db2.gz	VZZNZHFMGMKKTL-HNNXBMFYSA-N	-2	3	474.421	4.050	50	70	biogenic	JIIAHL
COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc([O-])c(Cl)c1	ZINC000218249922	569883150	/nfs/dbraw/zinc/88/31/50/569883150.db2.gz	ILNVHNWIASZSAV-QGZVFWFLSA-N	-2	3	470.953	4.451	50	70		JIIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](c2ccc3nccnc3c2)CC(=O)O1	ZINC000217746420	569881309	/nfs/dbraw/zinc/88/13/09/569881309.db2.gz	NEYYXKPNAHWOGY-INIZCTEOSA-N	-2	3	452.422	4.255	50	70	biogenic	JIIAHL
COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)cc2c1	ZINC000217797951	569881600	/nfs/dbraw/zinc/88/16/00/569881600.db2.gz	ZEYOVMXRYBXIBQ-KRWDZBQOSA-N	-2	3	497.459	4.162	50	70	biogenic	JIIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@H](c2coc3ccccc3c2=O)CC(=O)O1	ZINC000217917714	569882157	/nfs/dbraw/zinc/88/21/57/569882157.db2.gz	GRMSCFVHQIWYNM-INIZCTEOSA-N	-2	3	468.417	4.419	50	70	biogenic	JIIAHL
O=c1cc(-c2ccc([O-])cc2)oc2c1c([O-])cc1c2[C@@H](c2ccc3nccnc3c2)CC(=O)O1	ZINC000217746498	569881297	/nfs/dbraw/zinc/88/12/97/569881297.db2.gz	NEYYXKPNAHWOGY-MRXNPFEDSA-N	-2	3	452.422	4.255	50	70	biogenic	JIIAHL
COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1	ZINC000217737907	569881319	/nfs/dbraw/zinc/88/13/19/569881319.db2.gz	KXGWHUPEBWJYEJ-KRWDZBQOSA-N	-2	3	458.422	4.099	50	70	biogenic	JIIAHL
COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c1OC	ZINC000217871573	569881954	/nfs/dbraw/zinc/88/19/54/569881954.db2.gz	LXGYXDTUWSPDSC-INIZCTEOSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc2c1OCCO2	ZINC000217634487	569880789	/nfs/dbraw/zinc/88/07/89/569880789.db2.gz	UZUOVDQKMSPORX-MRXNPFEDSA-N	-2	3	488.448	4.092	50	70	biogenic	JIIAHL
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21	ZINC000217600066	569880426	/nfs/dbraw/zinc/88/04/26/569880426.db2.gz	QBDKBEFGIFAVPT-IBGZPJMESA-N	-2	3	474.465	4.337	50	70	biogenic	JIIAHL
COc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)c(=O)c2c1	ZINC000217679354	569880950	/nfs/dbraw/zinc/88/09/50/569880950.db2.gz	CCBVNTRLQHRWDG-INIZCTEOSA-N	-2	3	498.443	4.427	50	70	biogenic	JIIAHL
COc1cc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc1OC	ZINC000217787531	569881579	/nfs/dbraw/zinc/88/15/79/569881579.db2.gz	YYHSHBAUXHJXMW-MRXNPFEDSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL
COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc([O-])cc6)oc5c43)cc2c1	ZINC000217798049	569881625	/nfs/dbraw/zinc/88/16/25/569881625.db2.gz	ZEYOVMXRYBXIBQ-QGZVFWFLSA-N	-2	3	497.459	4.162	50	70	biogenic	JIIAHL
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)c(OC)c1	ZINC000217642911	569880803	/nfs/dbraw/zinc/88/08/03/569880803.db2.gz	BVQRTXHUXFHRKB-KRWDZBQOSA-N	-2	3	460.438	4.329	50	70	biogenic	JIIAHL
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc(OC)c1OC	ZINC000217872423	569881903	/nfs/dbraw/zinc/88/19/03/569881903.db2.gz	DUNZLANBLZFSHU-MRXNPFEDSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc([O-])cc5)oc4c32)cc(OC)c1OC	ZINC000217872345	569881935	/nfs/dbraw/zinc/88/19/35/569881935.db2.gz	DUNZLANBLZFSHU-INIZCTEOSA-N	-2	3	490.464	4.338	50	70	biogenic	JIIAHL