smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O ZINC000217622594 569880690 /nfs/dbraw/zinc/88/06/90/569880690.db2.gz QLCXHKOSWKMQBP-HNNXBMFYSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000217687777 569881012 /nfs/dbraw/zinc/88/10/12/569881012.db2.gz VCCYQJCBEHWWRL-MRXNPFEDSA-N -1 1 467.433 4.154 50 70 biogenic JIIAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c(OC)c1OC ZINC000217747071 569881356 /nfs/dbraw/zinc/88/13/56/569881356.db2.gz UGQFGHKXUDNVQY-MRXNPFEDSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2 ZINC000217687696 569881053 /nfs/dbraw/zinc/88/10/53/569881053.db2.gz VCCYQJCBEHWWRL-INIZCTEOSA-N -1 1 467.433 4.154 50 70 biogenic JIIAMM COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cccc2nccnc21 ZINC000218370291 569883319 /nfs/dbraw/zinc/88/33/19/569883319.db2.gz HEGFTOKKUSYVOJ-IBGZPJMESA-N -1 1 472.545 4.036 50 70 JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(O)c(OC)c2)CC(=O)O4)cc1O ZINC000217701677 569881088 /nfs/dbraw/zinc/88/10/88/569881088.db2.gz XGXYLNZQOVBZHD-AWEZNQCLSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccnn2C(C)C)CC(=O)O4)cc1O ZINC000217744715 569881326 /nfs/dbraw/zinc/88/13/26/569881326.db2.gz NZAMEFUOMZWXMB-CQSZACIVSA-N -1 1 462.458 4.098 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc3c(c2)OCCO3)CC(=O)O4)cc1O ZINC000217788449 569881590 /nfs/dbraw/zinc/88/15/90/569881590.db2.gz UYOIOOVEYVPSAE-HNNXBMFYSA-N -1 1 488.448 4.092 50 70 biogenic JIIAMM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1OC ZINC000217787451 569881632 /nfs/dbraw/zinc/88/16/32/569881632.db2.gz YYHSHBAUXHJXMW-INIZCTEOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)cc6)oc-5c43)c(=O)[nH]c2c1 ZINC000217795552 569881555 /nfs/dbraw/zinc/88/15/55/569881555.db2.gz IEEHFKPKNKEALB-QGZVFWFLSA-N -1 1 497.459 4.162 50 70 biogenic JIIAMM COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc(OC)cc1OC ZINC000217808385 569881670 /nfs/dbraw/zinc/88/16/70/569881670.db2.gz KZFNGVAARYZUJD-FQEVSTJZSA-N -1 1 480.561 4.110 50 70 biogenic JIIAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)c(Cl)c1 ZINC000218249985 569883175 /nfs/dbraw/zinc/88/31/75/569883175.db2.gz ILNVHNWIASZSAV-KRWDZBQOSA-N -1 1 470.953 4.451 50 70 JIIAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc(OC)c1O ZINC000217719854 569881136 /nfs/dbraw/zinc/88/11/36/569881136.db2.gz JVBSQZBXFFGRCN-HNNXBMFYSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c(OC)c1 ZINC000217651078 569880846 /nfs/dbraw/zinc/88/08/46/569880846.db2.gz YDTONIYSMNWWBC-INIZCTEOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc(OC)cc1OC ZINC000217808314 569881687 /nfs/dbraw/zinc/88/16/87/569881687.db2.gz KZFNGVAARYZUJD-HXUWFJFHSA-N -1 1 480.561 4.110 50 70 biogenic JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000217917787 569882131 /nfs/dbraw/zinc/88/21/31/569882131.db2.gz GRMSCFVHQIWYNM-MRXNPFEDSA-N -1 1 468.417 4.419 50 70 biogenic JIIAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc(OC)c1O ZINC000217719941 569881132 /nfs/dbraw/zinc/88/11/32/569881132.db2.gz JVBSQZBXFFGRCN-OAHLLOKOSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1ccc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217731458 569881288 /nfs/dbraw/zinc/88/12/88/569881288.db2.gz ILXBIICGMPHHQM-MRXNPFEDSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM O=C(C[C@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21)N1CCOCC1 ZINC000217990535 569882337 /nfs/dbraw/zinc/88/23/37/569882337.db2.gz CIWFFMXNFQECFD-SFHVURJKSA-N -1 1 470.481 4.047 50 70 biogenic JIIAMM COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)cc6)oc-5c43)c(=O)c2c1 ZINC000217679443 569880955 /nfs/dbraw/zinc/88/09/55/569880955.db2.gz CCBVNTRLQHRWDG-MRXNPFEDSA-N -1 1 498.443 4.427 50 70 biogenic JIIAMM COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c1OC ZINC000217871650 569881964 /nfs/dbraw/zinc/88/19/64/569881964.db2.gz LXGYXDTUWSPDSC-MRXNPFEDSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc2nccnc2c1 ZINC000218129110 569882814 /nfs/dbraw/zinc/88/28/14/569882814.db2.gz NLWFDAXZEXDGNN-LJQANCHMSA-N -1 1 472.545 4.036 50 70 JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O ZINC000217622666 569880683 /nfs/dbraw/zinc/88/06/83/569880683.db2.gz QLCXHKOSWKMQBP-OAHLLOKOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c(OC)c1 ZINC000217642980 569880820 /nfs/dbraw/zinc/88/08/20/569880820.db2.gz BVQRTXHUXFHRKB-QGZVFWFLSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1 ZINC000217834758 569881870 /nfs/dbraw/zinc/88/18/70/569881870.db2.gz JMLBFPNAYLDUAT-MRXNPFEDSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(OC)c(O)c2)CC(=O)O4)cc1O ZINC000217739150 569881299 /nfs/dbraw/zinc/88/12/99/569881299.db2.gz LQFFDVSZOOZPSU-AWEZNQCLSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc3c(c2)OCCO3)CC(=O)O4)cc1O ZINC000217788365 569881615 /nfs/dbraw/zinc/88/16/15/569881615.db2.gz UYOIOOVEYVPSAE-OAHLLOKOSA-N -1 1 488.448 4.092 50 70 biogenic JIIAMM COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cccc2nccnc21 ZINC000218370366 569883275 /nfs/dbraw/zinc/88/32/75/569883275.db2.gz HEGFTOKKUSYVOJ-LJQANCHMSA-N -1 1 472.545 4.036 50 70 JIIAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc2c1OCO2 ZINC000217751255 569881448 /nfs/dbraw/zinc/88/14/48/569881448.db2.gz VZZNZHFMGMKKTL-OAHLLOKOSA-N -1 1 474.421 4.050 50 70 biogenic JIIAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)cc1 ZINC000217834683 569881859 /nfs/dbraw/zinc/88/18/59/569881859.db2.gz JMLBFPNAYLDUAT-INIZCTEOSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccccc2OC)CC(=O)O4)cc1O ZINC000217884730 569882010 /nfs/dbraw/zinc/88/20/10/569882010.db2.gz TVIVWQBLCPZLMF-HNNXBMFYSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc2nccnc2c1 ZINC000218129197 569882899 /nfs/dbraw/zinc/88/28/99/569882899.db2.gz NLWFDAXZEXDGNN-IBGZPJMESA-N -1 1 472.545 4.036 50 70 JIIAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc2c1OCCO2 ZINC000217634413 569880835 /nfs/dbraw/zinc/88/08/35/569880835.db2.gz UZUOVDQKMSPORX-INIZCTEOSA-N -1 1 488.448 4.092 50 70 biogenic JIIAMM COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1 ZINC000217737976 569881338 /nfs/dbraw/zinc/88/13/38/569881338.db2.gz KXGWHUPEBWJYEJ-QGZVFWFLSA-N -1 1 458.422 4.099 50 70 biogenic JIIAMM COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)cc6)oc-5c43)c(=O)[nH]c2c1 ZINC000217795485 569881610 /nfs/dbraw/zinc/88/16/10/569881610.db2.gz IEEHFKPKNKEALB-KRWDZBQOSA-N -1 1 497.459 4.162 50 70 biogenic JIIAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c(OC)c1OC ZINC000217746988 569881392 /nfs/dbraw/zinc/88/13/92/569881392.db2.gz UGQFGHKXUDNVQY-INIZCTEOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc2c1OCO2 ZINC000217751177 569881410 /nfs/dbraw/zinc/88/14/10/569881410.db2.gz VZZNZHFMGMKKTL-HNNXBMFYSA-N -1 1 474.421 4.050 50 70 biogenic JIIAMM COC(=O)C[C@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccc(OC)c(O)c4)oc-3c21 ZINC000217946039 569882191 /nfs/dbraw/zinc/88/21/91/569882191.db2.gz WZSOLMZMGARQJL-AWEZNQCLSA-N -1 1 461.426 4.076 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(O)c(OC)c2)CC(=O)O4)cc1O ZINC000217701580 569881046 /nfs/dbraw/zinc/88/10/46/569881046.db2.gz XGXYLNZQOVBZHD-CQSZACIVSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccccc2OC)CC(=O)O4)cc1O ZINC000217884667 569882005 /nfs/dbraw/zinc/88/20/05/569882005.db2.gz TVIVWQBLCPZLMF-OAHLLOKOSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)c(Cl)c1 ZINC000218249922 569883149 /nfs/dbraw/zinc/88/31/49/569883149.db2.gz ILNVHNWIASZSAV-QGZVFWFLSA-N -1 1 470.953 4.451 50 70 JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000217746420 569881308 /nfs/dbraw/zinc/88/13/08/569881308.db2.gz NEYYXKPNAHWOGY-INIZCTEOSA-N -1 1 452.422 4.255 50 70 biogenic JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000217917714 569882154 /nfs/dbraw/zinc/88/21/54/569882154.db2.gz GRMSCFVHQIWYNM-INIZCTEOSA-N -1 1 468.417 4.419 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccnn2C(C)C)CC(=O)O4)cc1O ZINC000217744783 569881378 /nfs/dbraw/zinc/88/13/78/569881378.db2.gz NZAMEFUOMZWXMB-AWEZNQCLSA-N -1 1 462.458 4.098 50 70 biogenic JIIAMM O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 ZINC000217746498 569881296 /nfs/dbraw/zinc/88/12/96/569881296.db2.gz NEYYXKPNAHWOGY-MRXNPFEDSA-N -1 1 452.422 4.255 50 70 biogenic JIIAMM COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1 ZINC000217737907 569881317 /nfs/dbraw/zinc/88/13/17/569881317.db2.gz KXGWHUPEBWJYEJ-KRWDZBQOSA-N -1 1 458.422 4.099 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cc3ccccc3[nH]c2=O)CC(=O)O4)cc1O ZINC000217740285 569881387 /nfs/dbraw/zinc/88/13/87/569881387.db2.gz RJWWMHUGEIIBAS-HNNXBMFYSA-N -1 1 497.459 4.162 50 70 biogenic JIIAMM COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c1OC ZINC000217871573 569881951 /nfs/dbraw/zinc/88/19/51/569881951.db2.gz LXGYXDTUWSPDSC-INIZCTEOSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217731369 569881259 /nfs/dbraw/zinc/88/12/59/569881259.db2.gz ILXBIICGMPHHQM-INIZCTEOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2coc3ccccc3c2=O)CC(=O)O4)cc1O ZINC000217766792 569881398 /nfs/dbraw/zinc/88/13/98/569881398.db2.gz TVSCJCVKEHIUMA-HNNXBMFYSA-N -1 1 498.443 4.427 50 70 biogenic JIIAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc2c1OCCO2 ZINC000217634487 569880786 /nfs/dbraw/zinc/88/07/86/569880786.db2.gz UZUOVDQKMSPORX-MRXNPFEDSA-N -1 1 488.448 4.092 50 70 biogenic JIIAMM COC(=O)C[C@@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccc(OC)c(O)c4)oc-3c21 ZINC000217945958 569882244 /nfs/dbraw/zinc/88/22/44/569882244.db2.gz WZSOLMZMGARQJL-CQSZACIVSA-N -1 1 461.426 4.076 50 70 biogenic JIIAMM COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)cc6)oc-5c43)c(=O)c2c1 ZINC000217679354 569880947 /nfs/dbraw/zinc/88/09/47/569880947.db2.gz CCBVNTRLQHRWDG-INIZCTEOSA-N -1 1 498.443 4.427 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(OC)c(O)c2)CC(=O)O4)cc1O ZINC000217739065 569881366 /nfs/dbraw/zinc/88/13/66/569881366.db2.gz LQFFDVSZOOZPSU-CQSZACIVSA-N -1 1 476.437 4.035 50 70 biogenic JIIAMM COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc1OC ZINC000217787531 569881576 /nfs/dbraw/zinc/88/15/76/569881576.db2.gz YYHSHBAUXHJXMW-MRXNPFEDSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cc3ccccc3[nH]c2=O)CC(=O)O4)cc1O ZINC000217740199 569881382 /nfs/dbraw/zinc/88/13/82/569881382.db2.gz RJWWMHUGEIIBAS-OAHLLOKOSA-N -1 1 497.459 4.162 50 70 biogenic JIIAMM O=C(C[C@@H]1c2cccnc2Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21)N1CCOCC1 ZINC000217990434 569882369 /nfs/dbraw/zinc/88/23/69/569882369.db2.gz CIWFFMXNFQECFD-GOSISDBHSA-N -1 1 470.481 4.047 50 70 biogenic JIIAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c(OC)c1 ZINC000217651147 569880853 /nfs/dbraw/zinc/88/08/53/569880853.db2.gz YDTONIYSMNWWBC-MRXNPFEDSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1cc(OC)cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217655536 569880882 /nfs/dbraw/zinc/88/08/82/569880882.db2.gz RIMCFYHIOYQSGX-QGZVFWFLSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)c(OC)c1 ZINC000217642911 569880800 /nfs/dbraw/zinc/88/08/00/569880800.db2.gz BVQRTXHUXFHRKB-KRWDZBQOSA-N -1 1 460.438 4.329 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccc(OC)c(OC)c2)CC(=O)O4)cc1O ZINC000217653750 569880861 /nfs/dbraw/zinc/88/08/61/569880861.db2.gz UXBHVDDFJSUGFK-HNNXBMFYSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)O4)cc1O ZINC000217653672 569880932 /nfs/dbraw/zinc/88/09/32/569880932.db2.gz UXBHVDDFJSUGFK-OAHLLOKOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2coc3ccccc3c2=O)CC(=O)O4)cc1O ZINC000217766712 569881453 /nfs/dbraw/zinc/88/14/53/569881453.db2.gz TVSCJCVKEHIUMA-OAHLLOKOSA-N -1 1 498.443 4.427 50 70 biogenic JIIAMM COc1cc(OC)cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(OC)c(O)c5)oc-4c32)c1 ZINC000217655456 569880897 /nfs/dbraw/zinc/88/08/97/569880897.db2.gz RIMCFYHIOYQSGX-KRWDZBQOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc(OC)c1OC ZINC000217872423 569881900 /nfs/dbraw/zinc/88/19/00/569881900.db2.gz DUNZLANBLZFSHU-MRXNPFEDSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)cc(OC)c1OC ZINC000217872345 569881932 /nfs/dbraw/zinc/88/19/32/569881932.db2.gz DUNZLANBLZFSHU-INIZCTEOSA-N -1 1 490.464 4.338 50 70 biogenic JIIAMM