smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1	ZINC000217842955	569453986	/nfs/dbraw/zinc/45/39/86/569453986.db2.gz	AHMRJQSSDKKCSQ-KRWDZBQOSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000217842527	569454000	/nfs/dbraw/zinc/45/40/00/569454000.db2.gz	ONLWJYIOTOFODR-HNNXBMFYSA-N	-1	1	444.395	4.041	50	70	biogenic	IIIAMM
COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217874148	569454394	/nfs/dbraw/zinc/45/43/94/569454394.db2.gz	ABBKXMWUHVRDKA-MRXNPFEDSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21	ZINC000218101830	569456326	/nfs/dbraw/zinc/45/63/26/569456326.db2.gz	ZBRHFMLCCLFUMT-OAHLLOKOSA-N	-1	1	431.400	4.067	50	70	biogenic	IIIAMM
COC(=O)C[C@H](c1ccsc1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218194213	557181520	/nfs/dbraw/zinc/18/15/20/557181520.db2.gz	HFLNKVHKANMUGX-QGZVFWFLSA-N	-1	1	426.538	4.154	50	70		IIIAMM
COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc-3c21	ZINC000217874104	569454409	/nfs/dbraw/zinc/45/44/09/569454409.db2.gz	ABBKXMWUHVRDKA-INIZCTEOSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1O	ZINC000217931907	569455032	/nfs/dbraw/zinc/45/50/32/569455032.db2.gz	RSEXLCKHBSINEK-OAHLLOKOSA-N	-1	1	446.411	4.026	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618492	569450290	/nfs/dbraw/zinc/45/02/90/569450290.db2.gz	FTRRSKAOACYDOP-LBPRGKRZSA-N	-1	1	436.441	4.382	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639720	569450685	/nfs/dbraw/zinc/45/06/85/569450685.db2.gz	HKMICCMLDQEJQG-HNNXBMFYSA-N	-1	1	446.411	4.026	50	70	biogenic	IIIAMM
COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c([O-])c(-c4ccc(O)cc4)coc-3c21	ZINC000218101914	569456338	/nfs/dbraw/zinc/45/63/38/569456338.db2.gz	ZBRHFMLCCLFUMT-HNNXBMFYSA-N	-1	1	431.400	4.067	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccs2)CC(=O)O4)cc1O	ZINC000217618418	569450286	/nfs/dbraw/zinc/45/02/86/569450286.db2.gz	FTRRSKAOACYDOP-GFCCVEGCSA-N	-1	1	436.441	4.382	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2)CC(=O)O4)cc1O	ZINC000217767273	569452999	/nfs/dbraw/zinc/45/29/99/569452999.db2.gz	CLPBXNVDMGVFLQ-HNNXBMFYSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
COC(=O)C[C@@H](c1ccsc1)c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218194274	557181565	/nfs/dbraw/zinc/18/15/65/557181565.db2.gz	HFLNKVHKANMUGX-KRWDZBQOSA-N	-1	1	426.538	4.154	50	70		IIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000217842613	569454022	/nfs/dbraw/zinc/45/40/22/569454022.db2.gz	ONLWJYIOTOFODR-OAHLLOKOSA-N	-1	1	444.395	4.041	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2)CC(=O)O4)cc1O	ZINC000217767200	569453007	/nfs/dbraw/zinc/45/30/07/569453007.db2.gz	CLPBXNVDMGVFLQ-OAHLLOKOSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1	ZINC000217843023	569454040	/nfs/dbraw/zinc/45/40/40/569454040.db2.gz	AHMRJQSSDKKCSQ-QGZVFWFLSA-N	-1	1	430.412	4.321	50	70	biogenic	IIIAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1O	ZINC000217931826	569455064	/nfs/dbraw/zinc/45/50/64/569455064.db2.gz	RSEXLCKHBSINEK-HNNXBMFYSA-N	-1	1	446.411	4.026	50	70	biogenic	IIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(O)c2)CC(=O)O4)cc1O	ZINC000217639627	569450712	/nfs/dbraw/zinc/45/07/12/569450712.db2.gz	HKMICCMLDQEJQG-OAHLLOKOSA-N	-1	1	446.411	4.026	50	70	biogenic	IIIAMM