smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C(=C(/c1ccc(OCC(=O)[O-])cc1)c1cccc(O)c1)c1ccccc1 ZINC000000538602 219304628 /nfs/dbraw/zinc/30/46/28/219304628.db2.gz CAPHKVMHGPLJRK-ZNTNEXAZSA-N -1 0 374.436 5.225 1 0 FKAFRM O=C([O-])c1ccc(-c2cc3cccnc3c(-c3cccc(Cl)c3)n2)cc1 ZINC000000587602 219304367 /nfs/dbraw/zinc/30/43/67/219304367.db2.gz WYEOCWCFOOXSMR-UHFFFAOYSA-N -1 0 360.800 5.315 1 0 FKAFRM CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000000591937 219304868 /nfs/dbraw/zinc/30/48/68/219304868.db2.gz KZUDZUZMYZXWMG-UHFFFAOYSA-N -1 0 370.452 5.402 1 0 FKAFRM Cc1cc(OCC(=O)[O-])cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1 ZINC000000595180 219304383 /nfs/dbraw/zinc/30/43/83/219304383.db2.gz AUWDEVSRJTXIII-UHFFFAOYSA-N -1 0 353.418 5.164 1 0 FKAFRM O=C([O-])c1ccc(NC(=O)OCCC2c3ccccc3-c3ccccc32)cc1 ZINC000000598322 219305416 /nfs/dbraw/zinc/30/54/16/219305416.db2.gz QEOCEMPNYKUMCJ-UHFFFAOYSA-N -1 0 373.408 5.136 1 0 investigational FKAFRM CC/C(=C(\c1ccccc1)c1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000001533537 210357823 /nfs/dbraw/zinc/35/78/23/210357823.db2.gz QIMQCARYIBIRDS-GYHWCHFESA-N -1 0 358.437 5.519 1 0 FKAFRM CC/C(=C(\c1ccc(O)cc1)c1ccc(CC(=O)[O-])cc1)c1ccccc1 ZINC000001533540 204011763 /nfs/dbraw/zinc/01/17/63/204011763.db2.gz NFLLWMPUSSDORK-ZNTNEXAZSA-N -1 0 358.437 5.388 1 0 FKAFRM CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)[O-] ZINC000001533882 203917773 /nfs/dbraw/zinc/91/77/73/203917773.db2.gz QMXLXSYXJOJQSN-UHFFFAOYSA-N -1 0 358.547 6.137 1 0 investigational FKAFRM C/C(=C\c1cc(C(=O)[O-])cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000001539543 581095013 /nfs/dbraw/zinc/09/50/13/581095013.db2.gz ZEDKEKWGCXBKCJ-NTEUORMPSA-N -1 0 368.542 6.664 1 0 FKAFRM C/C(=C\c1ccc(C(=O)[O-])o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000001539546 206797741 /nfs/dbraw/zinc/79/77/41/206797741.db2.gz CCORXZBJYDJXFA-SDNWHVSQSA-N -1 0 352.474 6.196 1 0 FKAFRM O=C([O-])[C@@H](CCCCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000001543188 210360949 /nfs/dbraw/zinc/36/09/49/210360949.db2.gz DTGHEJZBQMEOGU-FQEVSTJZSA-N -1 0 370.492 6.303 1 0 FKAFRM O=C([O-])c1ccc(OCCCCC2c3ccccc3-c3ccccc32)cc1 ZINC000001543189 204012238 /nfs/dbraw/zinc/01/22/38/204012238.db2.gz WQZKUZXUBYJRBC-UHFFFAOYSA-N -1 0 358.437 5.746 1 0 FKAFRM CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=C\C(=O)[O-] ZINC000001546069 204011879 /nfs/dbraw/zinc/01/18/79/204011879.db2.gz QCUYSUZEBJQJPS-YWRSBGDESA-N -1 0 352.518 5.963 1 0 FKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3ccccc3)ccc1-2 ZINC000001547671 210359079 /nfs/dbraw/zinc/35/90/79/210359079.db2.gz UBSQJZPELRCTMC-UHFFFAOYSA-N -1 0 369.395 5.505 1 0 FKAFRM C/C=C(\C)c1cc(O)c(C)c2c1Oc1cc([O-])c(Cl)c(C)c1C(=O)O2 ZINC000001618035 210179745 /nfs/dbraw/zinc/17/97/45/210179745.db2.gz KZPINWADEGOBQG-VMPITWQZSA-N -1 0 360.793 5.116 1 0 FKAFRM CC[C@H](C)C(=O)c1c([O-])c(CC=C(C)C)c2c3c(cc(=O)oc31)[C@H](CC)O2 ZINC000001650656 291088871 /nfs/dbraw/zinc/08/88/71/291088871.db2.gz UIUQJKPWTIMLDM-WFASDCNBSA-N -1 0 370.445 5.080 1 0 biogenic,in-vitro FKAFRM O=C([O-])CS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001661710 204015768 /nfs/dbraw/zinc/01/57/68/204015768.db2.gz AUWASCFGQNGISC-INIZCTEOSA-N -1 0 369.269 5.125 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(Oc3ccc4cc(C(=O)[O-])ccc4c3)ccc21 ZINC000001891456 206897481 /nfs/dbraw/zinc/89/74/81/206897481.db2.gz OABKFPKZLVSWCI-UHFFFAOYSA-N -1 0 374.480 6.679 1 0 FKAFRM CC/C(=C(\c1ccccc1)c1ccc(/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC000001895310 203861643 /nfs/dbraw/zinc/86/16/43/203861643.db2.gz HJQQVNIORAQATK-DDJBQNAASA-N -1 0 354.449 6.154 1 0 in-vitro FKAFRM CC(/C=C/CC1(c2ccc3c(c2)C(C)(C)CCC3(C)C)CC1)=C\C(=O)[O-] ZINC000002008474 204023453 /nfs/dbraw/zinc/02/34/53/204023453.db2.gz PBTJHWPJNWIKLF-QCBIDBMXSA-N -1 0 352.518 6.044 1 0 FKAFRM CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1[O-] ZINC000003596266 560189028 /nfs/dbraw/zinc/18/90/28/560189028.db2.gz ZAIQNYMNZNXUAF-FOWTUZBSSA-N -1 0 366.457 5.270 1 0 in-vitro FKAFRM CN(C(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000003648498 210491754 /nfs/dbraw/zinc/49/17/54/210491754.db2.gz RYHAJFGPWHUPHK-UHFFFAOYSA-N -1 0 371.845 5.043 1 0 FKAFRM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccc(Cl)cc21 ZINC000003757149 203919707 /nfs/dbraw/zinc/91/97/07/203919707.db2.gz DLJABFIFJHENJO-UHFFFAOYSA-N -1 0 351.711 5.272 1 0 FKAFRM CCOC(=O)[P@](=O)([O-])OCC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000003790801 517688482 /nfs/dbraw/zinc/68/84/82/517688482.db2.gz RABFGCOKCFSZFY-NXGXIAAHSA-N -1 0 372.442 6.154 1 0 FKAFRM O=C([O-])C1(c2ccc(-c3ccc(-c4ccc(O)cc4)c(F)c3)c(F)c2)CC1 ZINC000003986653 204117259 /nfs/dbraw/zinc/11/72/59/204117259.db2.gz PNSGYWXRFOWVFA-UHFFFAOYSA-N -1 0 366.363 5.121 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1c(F)cccc1Cl)N2 ZINC000004811087 570607840 /nfs/dbraw/zinc/60/78/40/570607840.db2.gz RQAYLZVUULMIHY-OVXZUPBTSA-N -1 0 371.839 5.474 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1c(F)cccc1Cl)N2 ZINC000004811088 204165782 /nfs/dbraw/zinc/16/57/82/204165782.db2.gz RQAYLZVUULMIHY-BSNQOLHSSA-N -1 0 371.839 5.474 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1c(F)cccc1Cl)N2 ZINC000004811089 570607966 /nfs/dbraw/zinc/60/79/66/570607966.db2.gz RQAYLZVUULMIHY-LVRSREAOSA-N -1 0 371.839 5.474 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1c(F)cccc1Cl)N2 ZINC000004811090 219608819 /nfs/dbraw/zinc/60/88/19/219608819.db2.gz RQAYLZVUULMIHY-IOZUZFHGSA-N -1 0 371.839 5.474 1 0 FKAFRM CC(/C=C/[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000004847121 560200159 /nfs/dbraw/zinc/20/01/59/560200159.db2.gz BOOOLEGQBVUTKC-DHPCXDHDSA-N -1 0 352.518 5.900 1 0 in-vitro FKAFRM CC(C)c1c(Cl)cc2c(c1Cl)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000005447529 203881709 /nfs/dbraw/zinc/88/17/09/203881709.db2.gz RKQWIQSTFSBVMQ-CDHQVMDDSA-N -1 0 369.332 6.212 1 0 FKAFRM O=C([O-])c1ccccc1C1c2ccc(Cl)cc2Oc2cc(Cl)ccc21 ZINC000005813212 204225412 /nfs/dbraw/zinc/22/54/12/204225412.db2.gz DTERUGRHJMFTNE-UHFFFAOYSA-N -1 0 371.219 5.978 1 0 FKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000006070388 581095109 /nfs/dbraw/zinc/09/51/09/581095109.db2.gz AJYSMFOKGBZPCF-DTQAZKPQSA-N -1 0 362.513 6.603 1 0 FKAFRM CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c([O-])c2n1 ZINC000006339007 204244445 /nfs/dbraw/zinc/24/44/45/204244445.db2.gz RBWPWFRMJICRQV-BQYQJAHWSA-N -1 0 360.240 5.816 1 0 FKAFRM Cc1cc(C)cc(-c2cc([O-])c(Sc3ccccc3C(C)C)c(=O)o2)c1 ZINC000006521947 207144038 /nfs/dbraw/zinc/14/40/38/207144038.db2.gz PQLMBHNVFJYRDU-UHFFFAOYSA-N -1 0 366.482 5.904 1 0 FKAFRM O=C([O-])CS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006536056 207144996 /nfs/dbraw/zinc/14/49/96/207144996.db2.gz AUWASCFGQNGISC-MRXNPFEDSA-N -1 0 369.269 5.125 1 0 FKAFRM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000006808150 204272861 /nfs/dbraw/zinc/27/28/61/204272861.db2.gz FRXRTMGQCCVCGL-UHFFFAOYSA-N -1 0 357.818 5.019 1 0 FKAFRM CC(/C=C/[C@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000008656249 581097600 /nfs/dbraw/zinc/09/76/00/581097600.db2.gz BOOOLEGQBVUTKC-ZILRWILESA-N -1 0 352.518 5.900 1 0 FKAFRM CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCC(=O)[O-] ZINC000008689966 204338756 /nfs/dbraw/zinc/33/87/56/204338756.db2.gz SZHAEBFRVCBNCV-HZJYTTRNSA-N -1 0 365.558 5.781 1 0 FKAFRM CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCC(=O)[O-] ZINC000008689967 207240879 /nfs/dbraw/zinc/24/08/79/207240879.db2.gz FRABOYHJNCTVMA-QNEBEIHSSA-N -1 0 363.542 5.557 1 0 FKAFRM CCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@H](C)C(=O)[O-] ZINC000008689976 204338383 /nfs/dbraw/zinc/33/83/83/204338383.db2.gz GODYQXVZARYDST-CRRUZKBJSA-N -1 0 351.531 5.389 1 0 FKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)C(=O)[O-] ZINC000008860414 204347655 /nfs/dbraw/zinc/34/76/55/204347655.db2.gz KOVJQSKMGZBKPQ-YGJQYFAASA-N -1 0 373.537 5.497 1 0 FKAFRM CCc1cc(-c2n[nH]c(C)c2Oc2ccc(C(C)C)cc2)c(O)cc1O ZINC000013122514 220058595 /nfs/dbraw/zinc/05/85/95/220058595.db2.gz PULYOCOYJBOTCL-UHFFFAOYSA-N -1 0 352.434 5.274 1 0 FKAFRM CC(C)=CCc1c(O)cccc1C(=O)c1cc2c(cc1[O-])OC(C)(C)C=C2 ZINC000013411963 560216561 /nfs/dbraw/zinc/21/65/61/560216561.db2.gz KOJDUQIWHNYJEM-UHFFFAOYSA-N -1 0 364.441 5.022 1 0 biogenic,in-vitro FKAFRM Cc1cc(C)c([C@@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(O)c1C ZINC000013456321 220068159 /nfs/dbraw/zinc/06/81/59/220068159.db2.gz ZSYKLVFCMFCQHN-IBGZPJMESA-N -1 0 358.453 5.624 1 0 FKAFRM Cc1cc(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(O)c1C ZINC000013456324 211034399 /nfs/dbraw/zinc/03/43/99/211034399.db2.gz ZSYKLVFCMFCQHN-LJQANCHMSA-N -1 0 358.453 5.624 1 0 FKAFRM Cc1cc(C)c(O)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1C ZINC000013456330 220067939 /nfs/dbraw/zinc/06/79/39/220067939.db2.gz WBVXKKZNMXLFPT-LJQANCHMSA-N -1 0 358.453 5.624 1 0 FKAFRM Cc1c(C)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(O)c1C ZINC000013456336 220068885 /nfs/dbraw/zinc/06/88/85/220068885.db2.gz NHHQNGUCEHAEJW-HXUWFJFHSA-N -1 0 372.480 5.932 1 0 FKAFRM Cc1c(C)c(O)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c(C)c1O ZINC000013456443 211034181 /nfs/dbraw/zinc/03/41/81/211034181.db2.gz QBZKMUITKDUXRQ-GOSISDBHSA-N -1 0 374.452 5.329 1 0 FKAFRM CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)[O-])c(C)c(CC=C(C)C)c2O1 ZINC000013460804 291086564 /nfs/dbraw/zinc/08/65/64/291086564.db2.gz LJFBYGPHKHZLQD-LZMFZKJZSA-N -1 0 370.489 5.514 1 0 biogenic,in-vitro FKAFRM CC(/C=C/CC1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC1)=C\C(=O)[O-] ZINC000013487075 220069371 /nfs/dbraw/zinc/06/93/71/220069371.db2.gz QCNVQJSKAXKQEF-ZFKNLEDPSA-N -1 0 366.545 6.353 1 0 FKAFRM CC(/C=C/CC1(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1)=C\C(=O)[O-] ZINC000013487077 581095017 /nfs/dbraw/zinc/09/50/17/581095017.db2.gz BGVPDBYBQCFFGN-KSWQMODOSA-N -1 0 354.534 6.290 1 0 FKAFRM CC(/C=C/CC1(c2cc(C(C)(C)C)cc3c2CCC3(C)C)CC1)=C\C(=O)[O-] ZINC000013487078 220069428 /nfs/dbraw/zinc/06/94/28/220069428.db2.gz WFMNSSJQXRDLTP-ZFKNLEDPSA-N -1 0 366.545 6.217 1 0 FKAFRM CC1(C)OC(=S)[N-]c2ccc(-c3cc(F)cc(C(F)(F)F)c3)cc21 ZINC000013488853 220069885 /nfs/dbraw/zinc/06/98/85/220069885.db2.gz KWEKPTTVUMVEHM-UHFFFAOYSA-N -1 0 355.356 5.474 1 0 FKAFRM C[C@@]1(c2ccccc2)OC(=S)[N-]c2ccc(-c3cccc(Cl)c3)cc21 ZINC000013488872 211035777 /nfs/dbraw/zinc/03/57/77/211035777.db2.gz YBBTTYFZWTXGQD-NRFANRHFSA-N -1 0 365.885 5.998 1 0 FKAFRM C[C@]1(c2ccccc2)OC(=S)[N-]c2ccc(-c3cccc(Cl)c3)cc21 ZINC000013488873 204532883 /nfs/dbraw/zinc/53/28/83/204532883.db2.gz YBBTTYFZWTXGQD-OAQYLSRUSA-N -1 0 365.885 5.998 1 0 FKAFRM C/C(=C(/Cl)C(=O)Nc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000013488966 204532496 /nfs/dbraw/zinc/53/24/96/204532496.db2.gz CPGFKGAVZKQYLK-UYRXBGFRSA-N -1 0 365.816 5.147 1 0 FKAFRM CCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)C)cc1C(C)C ZINC000013522225 207466130 /nfs/dbraw/zinc/46/61/30/207466130.db2.gz HQROCOFWMCGIQB-IXGCMVFISA-N -1 0 356.506 6.323 1 0 FKAFRM COc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)(C)C)cc1C(C)(C)C ZINC000013522243 220071152 /nfs/dbraw/zinc/07/11/52/220071152.db2.gz MESVMRRPHFEFOB-CABFJEEQSA-N -1 0 370.533 6.281 1 0 FKAFRM O=C([O-])c1cc2ccccc2cc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013531822 220072234 /nfs/dbraw/zinc/07/22/34/220072234.db2.gz LCQIGIDPNWGZGO-UHFFFAOYSA-N -1 0 374.318 5.201 1 0 FKAFRM O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1ccccc1-c1ccccc1 ZINC000013531845 220072127 /nfs/dbraw/zinc/07/21/27/220072127.db2.gz DCLLIIGZJAINFF-UHFFFAOYSA-N -1 0 366.804 5.349 1 0 FKAFRM O=C([O-])c1ccc(Cl)cc1NC(=O)Nc1cccc(-c2ccccc2)c1 ZINC000013531867 220071743 /nfs/dbraw/zinc/07/17/43/220071743.db2.gz YYTGSSNODJDIJV-UHFFFAOYSA-N -1 0 366.804 5.349 1 0 FKAFRM CCn1nc(C(=O)[O-])cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000013534753 211038370 /nfs/dbraw/zinc/03/83/70/211038370.db2.gz YXLFQADORAOUEZ-UHFFFAOYSA-N -1 0 361.228 5.242 1 0 FKAFRM CCCc1c2onc(CC)c2cc(Cl)c1O[C@H](C(=O)[O-])c1ccccc1 ZINC000013539302 220072644 /nfs/dbraw/zinc/07/26/44/220072644.db2.gz WMHHNFBHKPBUTJ-KRWDZBQOSA-N -1 0 373.836 5.201 1 0 FKAFRM Cc1oc(/C=C/C(=O)[O-])cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013560351 211038836 /nfs/dbraw/zinc/03/88/36/211038836.db2.gz PCLGZAGPVGBVBQ-VQHVLOKHSA-N -1 0 352.474 5.626 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3CCCc4oc(C(=O)[O-])cc43)ccc21 ZINC000013560366 211039909 /nfs/dbraw/zinc/03/99/09/211039909.db2.gz ORVWRLJXZZBPEJ-OAHLLOKOSA-N -1 0 352.474 5.795 1 0 FKAFRM CC(/C=C/C1=C(C)[C@@H](n2cncn2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000013586645 220077134 /nfs/dbraw/zinc/07/71/34/220077134.db2.gz DKCNCYZDFCXFMT-NLUQSVONSA-N -1 0 367.493 5.045 1 0 FKAFRM CC(/C=C/C1=C(C)[C@H](n2cncn2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000013586646 220077594 /nfs/dbraw/zinc/07/75/94/220077594.db2.gz DKCNCYZDFCXFMT-FQOPZOEXSA-N -1 0 367.493 5.045 1 0 FKAFRM CC(/C=C/C1=C(C)[C@@H](n2cnnc2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000013586647 211041674 /nfs/dbraw/zinc/04/16/74/211041674.db2.gz MRJVMRQEDQFTGR-NLUQSVONSA-N -1 0 367.493 5.045 1 0 FKAFRM CC(/C=C/C1=C(C)[C@H](n2cnnc2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000013586648 211040794 /nfs/dbraw/zinc/04/07/94/211040794.db2.gz MRJVMRQEDQFTGR-FQOPZOEXSA-N -1 0 367.493 5.045 1 0 FKAFRM CC(/C=C/C1=C(C)[C@@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C/C(=O)[O-] ZINC000013586656 211040422 /nfs/dbraw/zinc/04/04/22/211040422.db2.gz MRFBVQCSZMKBFY-MNMSMGJBSA-N -1 0 366.505 5.650 1 0 FKAFRM CC(/C=C/[C@@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000013587547 211040595 /nfs/dbraw/zinc/04/05/95/211040595.db2.gz HMDVFKHLXNHBGR-XYFSBJHTSA-N -1 0 366.545 6.209 1 0 FKAFRM O=C([O-])c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588886 220076787 /nfs/dbraw/zinc/07/67/87/220076787.db2.gz ASHZLURJHGQWMH-UHFFFAOYSA-N -1 0 354.620 5.348 1 0 FKAFRM O=C([O-])c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588887 204538993 /nfs/dbraw/zinc/53/89/93/204538993.db2.gz CFZWZOOHTJWCPX-UHFFFAOYSA-N -1 0 354.620 5.348 1 0 FKAFRM O=C([O-])c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 ZINC000013588888 211041418 /nfs/dbraw/zinc/04/14/18/211041418.db2.gz FWUBYIZVKVARPD-UHFFFAOYSA-N -1 0 354.620 5.348 1 0 FKAFRM Cc1ccc(C(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)[O-])cc1C ZINC000013589574 211043147 /nfs/dbraw/zinc/04/31/47/211043147.db2.gz INYPMETVMFIKDH-UHFFFAOYSA-N -1 0 365.454 5.007 1 0 FKAFRM CC(C)c1ccc(O[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000013604727 211042453 /nfs/dbraw/zinc/04/24/53/211042453.db2.gz XTOWWXHIFFLTID-KRWDZBQOSA-N -1 0 353.245 5.192 1 0 FKAFRM CC(C)c1ccc(O[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000013604729 220078549 /nfs/dbraw/zinc/07/85/49/220078549.db2.gz XTOWWXHIFFLTID-QGZVFWFLSA-N -1 0 353.245 5.192 1 0 FKAFRM CC(C)c1ccc(O[C@@](C)(Cc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000013604812 211042365 /nfs/dbraw/zinc/04/23/65/211042365.db2.gz MADXCKGWQPBQBL-QHCPKHFHSA-N -1 0 354.490 5.572 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(Cc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000013604814 207470607 /nfs/dbraw/zinc/47/06/07/207470607.db2.gz MADXCKGWQPBQBL-HSZRJFAPSA-N -1 0 354.490 5.572 1 0 FKAFRM CC(C)c1ccc(O[C@@](C)(Cc2ccccc2-c2ccccc2)C(=O)[O-])cc1 ZINC000013604819 207471962 /nfs/dbraw/zinc/47/19/62/207471962.db2.gz GPSMFTJRDQOPNB-VWLOTQADSA-N -1 0 374.480 5.942 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(Cc2cccc(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000013604824 211042868 /nfs/dbraw/zinc/04/28/68/211042868.db2.gz DZGBPGWCJWQJAL-RUZDIDTESA-N -1 0 374.480 5.942 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(Cc2ccc(-c3ccccc3)cc2)C(=O)[O-])cc1 ZINC000013604828 211042979 /nfs/dbraw/zinc/04/29/79/211042979.db2.gz QUOZYIVWPIEWIK-RUZDIDTESA-N -1 0 374.480 5.942 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(C(=O)[O-])[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000013604945 220078228 /nfs/dbraw/zinc/07/82/28/220078228.db2.gz DKPBVAWRUCRJLI-CTNGQTDRSA-N -1 0 358.865 5.416 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(C(=O)[O-])[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000013604949 204538778 /nfs/dbraw/zinc/53/87/78/204538778.db2.gz DKPBVAWRUCRJLI-FPOVZHCZSA-N -1 0 358.865 5.416 1 0 FKAFRM CC(C)c1ccc(O[C@@](C)(C(=O)[O-])[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000013604951 207471608 /nfs/dbraw/zinc/47/16/08/207471608.db2.gz DKPBVAWRUCRJLI-PZJWPPBQSA-N -1 0 358.865 5.416 1 0 FKAFRM O=C([O-])c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1 ZINC000013642435 211046652 /nfs/dbraw/zinc/04/66/52/211046652.db2.gz MFVXCYJFQJHNBS-UHFFFAOYSA-N -1 0 367.619 5.198 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)ccc21 ZINC000013649044 211045798 /nfs/dbraw/zinc/04/57/98/211045798.db2.gz TUTOEKVFOVDKCV-UHFFFAOYSA-N -1 0 369.436 5.125 1 0 FKAFRM Cn1c2cc3c(cc2nc1-c1ccc(C(=O)[O-])cc1)C(C)(C)CCC3(C)C ZINC000013651734 211046041 /nfs/dbraw/zinc/04/60/41/211046041.db2.gz DRIHGLOZTBNGQX-UHFFFAOYSA-N -1 0 362.473 5.288 1 0 FKAFRM CC1(C)CCC(c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3F)cc2)CC1 ZINC000013672557 220082286 /nfs/dbraw/zinc/08/22/86/220082286.db2.gz CCTCISPYUXWOGO-UHFFFAOYSA-N -1 0 366.476 6.293 1 0 FKAFRM O=C([O-])C1(c2ccc(-c3ccc(-c4ccc(F)cc4)c(F)c3)c(F)c2)CC1 ZINC000013672567 220082698 /nfs/dbraw/zinc/08/26/98/220082698.db2.gz PYLGXNLJVJXKBA-UHFFFAOYSA-N -1 0 368.354 5.554 1 0 FKAFRM CCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c([O-])c12 ZINC000013680036 220084901 /nfs/dbraw/zinc/08/49/01/220084901.db2.gz CYZKLLHNZJNLSB-UHFFFAOYSA-N -1 0 363.438 5.317 1 0 FKAFRM O=c1[nH]c2sc(Cl)cc2c([O-])c1-c1cccc(Oc2ccccc2)c1 ZINC000013680052 220084062 /nfs/dbraw/zinc/08/40/62/220084062.db2.gz HNZIGPPIWHUECJ-UHFFFAOYSA-N -1 0 369.829 5.408 1 0 FKAFRM O=C([O-])CCCOc1cccc(/C=C/c2ccc3c(Cl)cccc3n2)c1 ZINC000013727966 207479907 /nfs/dbraw/zinc/47/99/07/207479907.db2.gz DVSHRJUCRCNNSI-MDZDMXLPSA-N -1 0 367.832 5.302 1 0 FKAFRM O=C([O-])CCCOc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1 ZINC000013727969 204548208 /nfs/dbraw/zinc/54/82/08/204548208.db2.gz LAURNBCWALNAEO-RMKNXTFCSA-N -1 0 367.832 5.302 1 0 FKAFRM O=C([O-])CCCOc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000013727971 211053708 /nfs/dbraw/zinc/05/37/08/211053708.db2.gz JFCURSMYGFSYKI-UXBLZVDNSA-N -1 0 367.832 5.302 1 0 FKAFRM C/C(=C/c1ccc2ccc(Cl)cc2n1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000013727993 220090604 /nfs/dbraw/zinc/09/06/04/220090604.db2.gz OBKYYCSRBOOXHT-QLKUMGTLSA-N -1 0 367.832 5.301 1 0 FKAFRM C/C(=C/c1ccc2ccc(Cl)cc2n1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000013727995 220091142 /nfs/dbraw/zinc/09/11/42/220091142.db2.gz OBKYYCSRBOOXHT-ZVHGMHCTSA-N -1 0 367.832 5.301 1 0 FKAFRM CCCC/C(=C\c1cnc(CCCC)n1Cc1ccccc1Cl)C(=O)[O-] ZINC000013728086 211052940 /nfs/dbraw/zinc/05/29/40/211052940.db2.gz QGXHHPALYOKVTB-DTQAZKPQSA-N -1 0 374.912 5.586 1 0 FKAFRM O=C([O-])Cc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 ZINC000013737370 211056844 /nfs/dbraw/zinc/05/68/44/211056844.db2.gz YHELUJCERLGVBD-UHFFFAOYSA-N -1 0 351.833 5.049 1 0 FKAFRM CCc1cc2c(cc1C(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013738441 211056828 /nfs/dbraw/zinc/05/68/28/211056828.db2.gz QILMPCDNRZKKIT-UHFFFAOYSA-N -1 0 364.485 5.527 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)[O-])cc3)c(F)cc21 ZINC000013738444 220091881 /nfs/dbraw/zinc/09/18/81/220091881.db2.gz WWPNKNDRIFQGQU-UHFFFAOYSA-N -1 0 354.421 5.104 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)[O-])cc3)c(Cl)cc21 ZINC000013738445 211056492 /nfs/dbraw/zinc/05/64/92/211056492.db2.gz ILTGZDGUCGJVPV-UHFFFAOYSA-N -1 0 370.876 5.618 1 0 FKAFRM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C ZINC000013738454 581094361 /nfs/dbraw/zinc/09/43/61/581094361.db2.gz ARSPFAPDBRQSDD-UHFFFAOYSA-N -1 0 368.904 6.449 1 0 FKAFRM O=C([O-])c1ccccc1OCCCCCC1c2ccccc2-c2ccccc21 ZINC000013741282 211056806 /nfs/dbraw/zinc/05/68/06/211056806.db2.gz KGXOMBOCCZSUGN-UHFFFAOYSA-N -1 0 372.464 6.137 1 0 FKAFRM Cc1cc2c(cc1[C@@H](C)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013742680 211055582 /nfs/dbraw/zinc/05/55/82/211055582.db2.gz XJSNHTMGLPUJFA-INIZCTEOSA-N -1 0 350.502 6.194 1 0 FKAFRM Cc1cc2c(cc1[C@H](C)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013742681 220092087 /nfs/dbraw/zinc/09/20/87/220092087.db2.gz XJSNHTMGLPUJFA-MRXNPFEDSA-N -1 0 350.502 6.194 1 0 FKAFRM Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cc3)CC1)C(C)(C)CCC2(C)C ZINC000013742682 220092617 /nfs/dbraw/zinc/09/26/17/220092617.db2.gz IQIDRTFMVGFIEL-UHFFFAOYSA-N -1 0 362.513 6.122 1 0 FKAFRM Cc1cc2c(cc1[C@@]1(c3ccc(C(=O)[O-])cc3)CO1)C(C)(C)CCC2(C)C ZINC000013742683 581092389 /nfs/dbraw/zinc/09/23/89/581092389.db2.gz DAUWSBRWCVRVRP-DEOSSOPVSA-N -1 0 364.485 5.316 1 0 FKAFRM Cc1cc2c(cc1[C@]1(c3ccc(C(=O)[O-])cc3)CO1)C(C)(C)CCC2(C)C ZINC000013742684 204549937 /nfs/dbraw/zinc/54/99/37/204549937.db2.gz DAUWSBRWCVRVRP-XMMPIXPASA-N -1 0 364.485 5.316 1 0 FKAFRM Cc1cc2c(cc1C(=O)c1cccc(C(=O)[O-])c1)C(C)(C)CCC2(C)C ZINC000013742687 211055545 /nfs/dbraw/zinc/05/55/45/211055545.db2.gz GLVGHPNCCBMWFS-UHFFFAOYSA-N -1 0 350.458 5.273 1 0 FKAFRM CC(C)(c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000013743075 220092521 /nfs/dbraw/zinc/09/25/21/220092521.db2.gz ZCZMPOGOLHRKMD-UHFFFAOYSA-N -1 0 350.502 6.060 1 0 FKAFRM Cc1cc2c(cc1C(=O)c1ccc(C(=O)[O-])s1)C(C)(C)CCC2(C)C ZINC000013743083 220092172 /nfs/dbraw/zinc/09/21/72/220092172.db2.gz OHXNOKHFSUNDSU-UHFFFAOYSA-N -1 0 356.487 5.335 1 0 FKAFRM C=C(c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013743084 220092449 /nfs/dbraw/zinc/09/24/49/220092449.db2.gz RXVCVOBCGBBMCP-UHFFFAOYSA-N -1 0 354.515 6.165 1 0 FKAFRM CC1(c2cc(-c3ccc4cc(C(=O)[O-])ccc4c3)ccc2O)CCCCC1 ZINC000013745045 211056770 /nfs/dbraw/zinc/05/67/70/211056770.db2.gz YTIUQMMDBNOKFS-UHFFFAOYSA-N -1 0 360.453 6.132 1 0 FKAFRM O=C([O-])c1ccc(/C=C/c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000013745077 211056091 /nfs/dbraw/zinc/05/60/91/211056091.db2.gz RSLQVUINGFHONZ-OWOJBTEDSA-N -1 0 374.480 5.729 1 0 FKAFRM COc1cc2c(cc1/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC2(C)C ZINC000013757372 204551664 /nfs/dbraw/zinc/55/16/64/204551664.db2.gz UPVFFMLTSPBEBW-TWHHPHDDSA-N -1 0 368.517 6.035 1 0 FKAFRM O=C([O-])CC[C@H](Oc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000013780348 220095117 /nfs/dbraw/zinc/09/51/17/220095117.db2.gz JCFWIDJCYZOMTD-QFIPXVFZSA-N -1 0 362.425 5.251 1 0 FKAFRM O=C([O-])CC/C(=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000013780349 211060038 /nfs/dbraw/zinc/06/00/38/211060038.db2.gz XKYSKEZOGQZDAD-JWGURIENSA-N -1 0 358.437 5.671 1 0 FKAFRM O=C([O-])CC[C@@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000013780350 220094616 /nfs/dbraw/zinc/09/46/16/220094616.db2.gz XFZNMCPTCABURS-JOCHJYFZSA-N -1 0 374.436 5.097 1 0 FKAFRM O=C([O-])CC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000013780351 211060405 /nfs/dbraw/zinc/06/04/05/211060405.db2.gz XFZNMCPTCABURS-QFIPXVFZSA-N -1 0 374.436 5.097 1 0 FKAFRM O=C([O-])c1ccc(-c2ccc(-c3cc4c(o3)c(Cl)ccc4Cl)[nH]2)cc1 ZINC000013809527 220095557 /nfs/dbraw/zinc/09/55/57/220095557.db2.gz WEETWSJXNUQHMT-UHFFFAOYSA-N -1 0 372.207 6.100 1 0 FKAFRM O=C([O-])/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000013814789 211061723 /nfs/dbraw/zinc/06/17/23/211061723.db2.gz LQHOAIOYGSEKNV-QHHAFSJGSA-N -1 0 359.661 5.896 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC000013815202 220095952 /nfs/dbraw/zinc/09/59/52/220095952.db2.gz PKXWKCWUBFDHSQ-KPKJPENVSA-N -1 0 362.469 5.364 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(COC(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC000013815228 220095349 /nfs/dbraw/zinc/09/53/49/220095349.db2.gz UPGYBJNOGJHLQW-UHFFFAOYSA-N -1 0 366.457 5.091 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc3c(cc21)CC/C3=C\c1ccc(C(=O)[O-])cc1 ZINC000013815323 211061996 /nfs/dbraw/zinc/06/19/96/211061996.db2.gz GSEDYDKZYWSPMV-QGOAFFKASA-N -1 0 360.497 6.221 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(Nc3ccc4cc(C(=O)[O-])ccc4c3)ccc21 ZINC000013815342 211062357 /nfs/dbraw/zinc/06/23/57/211062357.db2.gz APVJFPPFKHOIOJ-UHFFFAOYSA-N -1 0 373.496 6.631 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C3=Cc4ccc(C(=O)[O-])cc4OC3)ccc21 ZINC000013815366 220095852 /nfs/dbraw/zinc/09/58/52/220095852.db2.gz NOHAYALABUMJRK-UHFFFAOYSA-N -1 0 362.469 5.667 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3COc4cc(C(=O)[O-])ccc4C3)ccc21 ZINC000013815373 204554936 /nfs/dbraw/zinc/55/49/36/204554936.db2.gz IHDJKLZRJCYNNI-SFHVURJKSA-N -1 0 364.485 5.453 1 0 FKAFRM CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000013863240 560220770 /nfs/dbraw/zinc/22/07/70/560220770.db2.gz BOOOLEGQBVUTKC-KGEJIZRYSA-N -1 0 352.518 5.900 1 0 in-vitro FKAFRM CC(/C=C/[C@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000013863241 560220783 /nfs/dbraw/zinc/22/07/83/560220783.db2.gz BOOOLEGQBVUTKC-KMGXAZDESA-N -1 0 352.518 5.900 1 0 in-vitro FKAFRM O=C([O-])CCCCCCCCCCCCCCc1ccc2c(c1)OCO2 ZINC000014591329 291089578 /nfs/dbraw/zinc/08/95/78/291089578.db2.gz FSCOINDZTAFRMP-UHFFFAOYSA-N -1 0 362.510 6.114 1 0 biogenic,in-vitro FKAFRM CCCCCC[C@@H](O)CCCCCCCCCCCOS(=O)(=O)[O-] ZINC000014616255 220128150 /nfs/dbraw/zinc/12/81/50/220128150.db2.gz SRNZFQJWLFVECZ-GOSISDBHSA-N -1 0 366.564 5.038 1 0 FKAFRM CCCCCC[C@H](O)CCCCCCCCCCCOS(=O)(=O)[O-] ZINC000014616256 210182436 /nfs/dbraw/zinc/18/24/36/210182436.db2.gz SRNZFQJWLFVECZ-SFHVURJKSA-N -1 0 366.564 5.038 1 0 FKAFRM CCCCCc1cc2c(c(O)c1C(=O)[O-])[C@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000014722842 560224971 /nfs/dbraw/zinc/22/49/71/560224971.db2.gz UCONUSSAWGCZMV-JKSUJKDBSA-N -1 0 358.478 5.434 1 0 in-vitro FKAFRM CCCCCc1cc2c(c(O)c1C(=O)[O-])[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 ZINC000014722846 210182568 /nfs/dbraw/zinc/18/25/68/210182568.db2.gz UCONUSSAWGCZMV-CVEARBPZSA-N -1 0 358.478 5.434 1 0 FKAFRM CC(C)=CCc1cc(C(=O)c2cccc(O)c2CC=C(C)C)c([O-])cc1O ZINC000014780683 220133264 /nfs/dbraw/zinc/13/32/64/220133264.db2.gz SPKHVSDLQSVOCD-UHFFFAOYSA-N -1 0 366.457 5.052 1 0 biogenic,in-vitro FKAFRM CC(C)=CCc1c([O-])c(C(=O)c2ccccc2)c(O)c(CC=C(C)C)c1O ZINC000014780686 291087018 /nfs/dbraw/zinc/08/70/18/291087018.db2.gz DGDGUAUJFQUJRX-UHFFFAOYSA-N -1 0 366.457 5.052 1 0 biogenic,in-vitro FKAFRM CC(C)(C)c1ccc(-c2ccc(-c3cc(C(N)=O)cc(C(=O)[O-])c3)cc2)cc1 ZINC000014960631 204592155 /nfs/dbraw/zinc/59/21/55/204592155.db2.gz PVVBEDAOEJVXBQ-UHFFFAOYSA-N -1 0 373.452 5.115 1 0 FKAFRM O=C([O-])C[C@H](c1ccccc1)c1ccc(OCCCC(F)(F)F)cc1 ZINC000014978836 211110586 /nfs/dbraw/zinc/11/05/86/211110586.db2.gz QJIXDCHIRMADMB-QGZVFWFLSA-N -1 0 352.352 5.015 1 0 FKAFRM O=c1cc(-c2ccccc2)oc2cc([O-])c(C/C=C/c3ccccc3)c(O)c12 ZINC000015113548 210180974 /nfs/dbraw/zinc/18/09/74/210180974.db2.gz BAHFSEZASCPWAI-JXMROGBWSA-N -1 0 370.404 5.127 1 0 FKAFRM CC(C)(C)c1cc(/C=C/c2ccccc2C(=O)[O-])cc(C(C)(C)C)c1O ZINC000025988176 220501677 /nfs/dbraw/zinc/50/16/77/220501677.db2.gz QDGJTWFBJNTGAZ-VAWYXSNFSA-N -1 0 352.474 5.856 1 0 FKAFRM CCCCC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1CCCC(=O)[O-] ZINC000025991001 207905954 /nfs/dbraw/zinc/90/59/54/207905954.db2.gz VOEQWJRVRYMVGK-UUSJCSPQSA-N -1 0 360.582 6.536 1 0 FKAFRM CCCC[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS(=O)(=O)[O-] ZINC000026162273 207910435 /nfs/dbraw/zinc/91/04/35/207910435.db2.gz CXTXIOKJMBPYTQ-DOADOZAASA-N -1 0 372.571 5.554 1 0 FKAFRM CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000026278821 211445232 /nfs/dbraw/zinc/44/52/32/211445232.db2.gz YXHAJRKYSHQMAT-UHFFFAOYSA-N -1 0 365.473 5.010 1 0 FKAFRM CC(/C=C/[C@@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000026279474 211443679 /nfs/dbraw/zinc/44/36/79/211443679.db2.gz HMDVFKHLXNHBGR-AANSNUBHSA-N -1 0 366.545 6.209 1 0 FKAFRM CCc1cccc2c1[nH]c1c2[C@H](c2ccccc2)CC[C@]1(CC)CC(=O)[O-] ZINC000026280869 204849032 /nfs/dbraw/zinc/84/90/32/204849032.db2.gz MWMIYAJDAPUMAJ-MHECFPHRSA-N -1 0 361.485 5.779 1 0 FKAFRM CC[C@@]1(CC(=O)[O-])CC[C@H](Cc2ccccc2)c2c3cccc(C)c3[nH]c21 ZINC000026291043 220508227 /nfs/dbraw/zinc/50/82/27/220508227.db2.gz QQXXLYSSGPILMY-KOSHJBKYSA-N -1 0 361.485 5.719 1 0 FKAFRM CC(/C=C/[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000026467857 581097183 /nfs/dbraw/zinc/09/71/83/581097183.db2.gz HOAYGRVRYIUNNV-HOMFKRFTSA-N -1 0 366.545 6.506 1 0 FKAFRM CC(/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)[O-] ZINC000026476005 581095091 /nfs/dbraw/zinc/09/50/91/581095091.db2.gz VYBMNAKWMZVNRX-WDWAOICLSA-N -1 0 364.529 6.560 1 0 FKAFRM CC(/C=C/[C@@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000026476013 207916185 /nfs/dbraw/zinc/91/61/85/207916185.db2.gz HOAYGRVRYIUNNV-KNPWSOMWSA-N -1 0 366.545 6.506 1 0 FKAFRM CC1=CC[C@H]([C@]2(C)Cc3c(cc(C(=O)[O-])cc3Oc3ccccc3)O2)CC1 ZINC000026488217 207917766 /nfs/dbraw/zinc/91/77/66/207917766.db2.gz ASQKJDMDXLJBKK-SBUREZEXSA-N -1 0 364.441 5.617 1 0 FKAFRM CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)[O-])OC(C)=O ZINC000026580076 204854411 /nfs/dbraw/zinc/85/44/11/204854411.db2.gz AYBGZVSRNGUYIC-PYFVZGSLSA-N -1 0 366.542 6.206 1 0 FKAFRM CCOc1ccc(Cc2ccc([C@H](C)C(=O)[O-])c3cc(OC)ccc23)cc1 ZINC000026639152 204854714 /nfs/dbraw/zinc/85/47/14/204854714.db2.gz DKJXXPSZIQEGTO-HNNXBMFYSA-N -1 0 364.441 5.026 1 0 FKAFRM CC[C@@H](C(=O)[O-])c1ccc(Cc2ccc(F)cc2)c2ccc(OC)cc21 ZINC000026647422 211451416 /nfs/dbraw/zinc/45/14/16/211451416.db2.gz WONYNLTWGIEAMI-GOSISDBHSA-N -1 0 352.405 5.157 1 0 FKAFRM CCc1ccc2c(Cc3ccc(Cl)cc3)ccc([C@@H](C)C(=O)[O-])c2c1 ZINC000026648843 211452407 /nfs/dbraw/zinc/45/24/07/211452407.db2.gz JYYLWANQIKFDGF-CQSZACIVSA-N -1 0 352.861 5.835 1 0 FKAFRM C/C(=C\c1ncc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000026649488 581095068 /nfs/dbraw/zinc/09/50/68/581095068.db2.gz WGOHVXKUHRUIRK-GXDHUFHOSA-N -1 0 369.530 6.059 1 0 FKAFRM CC(=Cc1nc(C(=O)[O-])c[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000026653569 581095064 /nfs/dbraw/zinc/09/50/64/581095064.db2.gz DYDVTRMDNGTYGL-GXDHUFHOSA-N -1 0 352.478 5.326 1 0 FKAFRM C/C(=C\c1ncc(C(=O)[O-])s1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000026657237 581094999 /nfs/dbraw/zinc/09/49/99/581094999.db2.gz NXPNPFPVJPLLLG-JLHYYAGUSA-N -1 0 355.503 5.751 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC000026723698 220521355 /nfs/dbraw/zinc/52/13/55/220521355.db2.gz WTGHSZIXBWHTPK-CGIBVWHJSA-N -1 0 364.485 5.215 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@H](O)c3ccc(/C=C/C(=O)[O-])cc3)ccc21 ZINC000026723706 207919414 /nfs/dbraw/zinc/91/94/14/207919414.db2.gz WTGHSZIXBWHTPK-JNKLARPZSA-N -1 0 364.485 5.215 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(S/C=C/c3ccc(C(=O)[O-])cc3)ccc21 ZINC000026726205 207920045 /nfs/dbraw/zinc/92/00/45/207920045.db2.gz HPQNKAOSONMSSV-SDNWHVSQSA-N -1 0 366.526 6.497 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=O)c3cccc(/C=C/C(=O)[O-])c3)ccc21 ZINC000026730599 220522435 /nfs/dbraw/zinc/52/24/35/220522435.db2.gz KUGSQBMMMFDZHA-DHZHZOJOSA-N -1 0 362.469 5.364 1 0 FKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000026819268 207922439 /nfs/dbraw/zinc/92/24/39/207922439.db2.gz GRWNGRDXCWBPKK-AUIWOQIESA-N -1 0 367.489 5.377 1 0 FKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000026835572 204856477 /nfs/dbraw/zinc/85/64/77/204856477.db2.gz GKZCQIGRTVKPTC-SEGNDCOSSA-N -1 0 353.462 5.352 1 0 FKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1COc1cc(-c3ccccc3)ccc1-2 ZINC000026838207 581101368 /nfs/dbraw/zinc/10/13/68/581101368.db2.gz HQTLOVDISUUBAN-UHFFFAOYSA-N -1 0 371.367 5.299 1 0 FKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1cc(-c3ccoc3)ccc1-2 ZINC000026842640 581101687 /nfs/dbraw/zinc/10/16/87/581101687.db2.gz XRDLKLADEFQFGB-UHFFFAOYSA-N -1 0 359.356 5.098 1 0 FKAFRM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1c(-c3ccccc3)cccc1-2 ZINC000026843611 581101688 /nfs/dbraw/zinc/10/16/88/581101688.db2.gz ZHOPUQNIZZCTCN-UHFFFAOYSA-N -1 0 369.395 5.505 1 0 FKAFRM O=C([O-])Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1 ZINC000026990964 211456979 /nfs/dbraw/zinc/45/69/79/211456979.db2.gz PMROJGOCNAZGOC-UHFFFAOYSA-N -1 0 355.437 5.247 1 0 FKAFRM CCCCCCc1ccc(-c2cc(=O)c3cc(C(=O)[O-])ccc3o2)cc1 ZINC000027076219 204858837 /nfs/dbraw/zinc/85/88/37/204858837.db2.gz WIFDTMIXLQLAEN-UHFFFAOYSA-N -1 0 350.414 5.281 1 0 FKAFRM CC(C)(C)c1cc(/C=C(/C(=O)[O-])c2cccs2)cc2c1OCC2(C)C ZINC000027099554 211458831 /nfs/dbraw/zinc/45/88/31/211458831.db2.gz DEHXSWQWOAMUSO-NTEUORMPSA-N -1 0 356.487 5.341 1 0 FKAFRM C/C(=C\c1ccc(C(=O)[O-])cc1)c1ccc2c(c1)C(C)(C)CC(C)(C)S2 ZINC000027443206 204862778 /nfs/dbraw/zinc/86/27/78/204862778.db2.gz BSFZDTINSFODDJ-NTCAYCPXSA-N -1 0 366.526 6.497 1 0 FKAFRM CC(C)c1ccc(O[C@@](C)(Cc2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000027527176 220536518 /nfs/dbraw/zinc/53/65/18/220536518.db2.gz UVDUQUPQNYWRMH-QHCPKHFHSA-N -1 0 352.474 5.154 1 0 FKAFRM CC(C)c1ccc(O[C@](C)(Cc2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000027527177 207932812 /nfs/dbraw/zinc/93/28/12/207932812.db2.gz UVDUQUPQNYWRMH-HSZRJFAPSA-N -1 0 352.474 5.154 1 0 FKAFRM CC(C)c1cccc2ccc(-c3ccc(-c4ccc(C(=O)[O-])cc4)[nH]3)cc21 ZINC000027718750 204868038 /nfs/dbraw/zinc/86/80/38/204868038.db2.gz XKGIXZNDGKZJBI-UHFFFAOYSA-N -1 0 355.437 6.324 1 0 FKAFRM CC1=CC[C@H]2[C@@H](C1)c1c(O)cc(C=C=CCCCC(=O)[O-])cc1OC2(C)C ZINC000027747993 211470923 /nfs/dbraw/zinc/47/09/23/211470923.db2.gz CCDFPCRJFJIHKU-JYGRLGCHSA-N -1 0 368.473 5.426 1 0 FKAFRM CC(=O)OCC1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)[O-] ZINC000027983981 220555132 /nfs/dbraw/zinc/55/51/32/220555132.db2.gz QSEIUMVWJJWZJP-ZSWJKXSBSA-N -1 0 364.526 5.219 1 0 FKAFRM CC/C=C/CCSC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028091776 207947750 /nfs/dbraw/zinc/94/77/50/207947750.db2.gz YDJGESKTURUXSO-KYUOCLJZSA-N -1 0 352.540 5.071 1 0 FKAFRM CCC/C=C(\C)CSC[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028096488 211479239 /nfs/dbraw/zinc/47/92/39/211479239.db2.gz OISADBQASBHBLJ-BKRSWBDLSA-N -1 0 366.567 5.461 1 0 FKAFRM CCC/C=C(\C)CSC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028096500 220558627 /nfs/dbraw/zinc/55/86/27/220558627.db2.gz OISADBQASBHBLJ-KPFILYAGSA-N -1 0 366.567 5.461 1 0 FKAFRM CCCCC[C@@H](C)SC[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028097965 220558455 /nfs/dbraw/zinc/55/84/55/220558455.db2.gz JPUVEYMMQIVSGF-FMUBAJRSSA-N -1 0 368.583 5.683 1 0 FKAFRM CCCCC[C@H](C)SC[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028097971 204873846 /nfs/dbraw/zinc/87/38/46/204873846.db2.gz JPUVEYMMQIVSGF-YEOCCRFSSA-N -1 0 368.583 5.683 1 0 FKAFRM CCCCC[C@@H](C)SC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028097976 207948332 /nfs/dbraw/zinc/94/83/32/207948332.db2.gz JPUVEYMMQIVSGF-QAFNJYRZSA-N -1 0 368.583 5.683 1 0 FKAFRM CCC/C=C/CSC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028098065 204874970 /nfs/dbraw/zinc/87/49/70/204874970.db2.gz QXBFRDGMYMBQMJ-XFTSCBPYSA-N -1 0 352.540 5.071 1 0 FKAFRM CCCCCCSC[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000028098244 220559960 /nfs/dbraw/zinc/55/99/60/220559960.db2.gz YHSIOGBAMKKEDO-YXEGLXKCSA-N -1 0 354.556 5.295 1 0 FKAFRM O=C([O-])c1ccc2c(c1)nc(-c1ccc3ccccc3n1)n2C1CCCCC1 ZINC000028100770 204874644 /nfs/dbraw/zinc/87/46/44/204874644.db2.gz AYKOADBUMADZLD-UHFFFAOYSA-N -1 0 371.440 5.455 1 0 FKAFRM Cc1c(CCCC(=O)[O-])c2cc(C)ccc2n1C(=O)c1ccc(Cl)cc1 ZINC000028124848 207949347 /nfs/dbraw/zinc/94/93/47/207949347.db2.gz ZFLZZWRJDDISQQ-UHFFFAOYSA-N -1 0 369.848 5.007 1 0 FKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC[C@H](CCC(=O)[O-])OC ZINC000028130931 220560091 /nfs/dbraw/zinc/56/00/91/220560091.db2.gz DBOOHYIROQIHFK-CXOOCOMNSA-N -1 0 374.565 6.788 1 0 FKAFRM CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2C ZINC000028135793 204874303 /nfs/dbraw/zinc/87/43/03/204874303.db2.gz RYIOXZWYRPKVLU-UHFFFAOYSA-N -1 0 361.551 5.846 1 0 FKAFRM CC(C)c1cccc2ccc(-c3ccc(-c4ccc(C(=O)[O-])cc4)[nH]3)nc21 ZINC000028227698 220563703 /nfs/dbraw/zinc/56/37/03/220563703.db2.gz UNKSGEZQGQSAEO-UHFFFAOYSA-N -1 0 356.425 5.719 1 0 FKAFRM O=C([O-])/C=C/c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)c(O)c2)cc1 ZINC000028464989 204882137 /nfs/dbraw/zinc/88/21/37/204882137.db2.gz AWCJBJYRCLTNBY-FPYGCLRLSA-N -1 0 374.480 5.625 1 0 FKAFRM CCCC[C@@]1(CC(=O)[O-])OCCc2c1sc1c2c(Cl)ccc1Cl ZINC000028567879 207965768 /nfs/dbraw/zinc/96/57/68/207965768.db2.gz GKDYSNBFODVCMO-KRWDZBQOSA-N -1 0 373.301 5.641 1 0 FKAFRM Cc1cc2nc(C(=O)[O-])ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1 ZINC000028570773 581092984 /nfs/dbraw/zinc/09/29/84/581092984.db2.gz QFHPGLKTTMRBBJ-UHFFFAOYSA-N -1 0 351.402 5.171 1 0 FKAFRM Cc1c(C(=O)c2ccc(C)cc2)sc(Nc2ccccc2)c1C(=O)[O-] ZINC000028713194 211496387 /nfs/dbraw/zinc/49/63/87/211496387.db2.gz UDUDTFIFXZDSMM-UHFFFAOYSA-N -1 0 351.427 5.038 1 0 FKAFRM Cc1c(C(=O)c2ccc(C)cc2)sc(Nc2ccc(C)cc2)c1C(=O)[O-] ZINC000028713195 204887436 /nfs/dbraw/zinc/88/74/36/204887436.db2.gz NYKKCYGQESSBFH-UHFFFAOYSA-N -1 0 365.454 5.346 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc(C(=C3CC3)c3ccc(C(=O)[O-])cc3)ccc21 ZINC000028758393 207973077 /nfs/dbraw/zinc/97/30/77/207973077.db2.gz IBMBPTSPCXVWFN-UHFFFAOYSA-N -1 0 360.497 6.330 1 0 FKAFRM Cc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000028758990 581092304 /nfs/dbraw/zinc/09/23/04/581092304.db2.gz BZJCZXWWMFFDGB-UHFFFAOYSA-N -1 0 374.524 6.638 1 0 FKAFRM Cc1ccc(Oc2ccc(C3CCCCC3)cc2Cl)c(CC(=O)[O-])c1 ZINC000028766912 207972842 /nfs/dbraw/zinc/97/28/42/207972842.db2.gz KNJMHFSGGBDWKM-UHFFFAOYSA-N -1 0 358.865 6.116 1 0 FKAFRM O=C([O-])/C=C/c1ccc(-c2cccc(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000028825667 220585889 /nfs/dbraw/zinc/58/58/89/220585889.db2.gz DSFYSUXTIWEYKC-RMKNXTFCSA-N -1 0 358.481 5.919 1 0 FKAFRM CCCCCCOc1cc(/C=C/C(=O)[O-])cc(OCCCCCC)c1O ZINC000029039156 211502892 /nfs/dbraw/zinc/50/28/92/211502892.db2.gz KPSSDMBVMVKEEI-VAWYXSNFSA-N -1 0 364.482 5.408 1 0 FKAFRM CC(C)(C)CCc1cn(-c2nc(C(=O)[O-])cs2)c2cc(Cl)ccc12 ZINC000029044567 204894441 /nfs/dbraw/zinc/89/44/41/204894441.db2.gz KWCSGHGCXOSYQY-UHFFFAOYSA-N -1 0 362.882 5.417 1 0 FKAFRM O=C([O-])c1csc(-n2cc(Cc3ccccc3)c3ccc(Cl)cc32)n1 ZINC000029044858 204893783 /nfs/dbraw/zinc/89/37/83/204893783.db2.gz LIKLDHZWTFOMPS-UHFFFAOYSA-N -1 0 368.845 5.029 1 0 FKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000029136184 220594928 /nfs/dbraw/zinc/59/49/28/220594928.db2.gz WDRALMDRBRPBFL-GEVHSTDWSA-N -1 0 374.609 6.782 1 0 FKAFRM CCCCOCCCCCCCCCCCNc1ccc(C(=O)[O-])cc1 ZINC000029216946 220597335 /nfs/dbraw/zinc/59/73/35/220597335.db2.gz UQBDLKCFIXREDK-UHFFFAOYSA-N -1 0 363.542 6.124 1 0 FKAFRM CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)[O-])c2C)cc1 ZINC000029321567 581095073 /nfs/dbraw/zinc/09/50/73/581095073.db2.gz YBBNNEOYMVTAPW-UHFFFAOYSA-N -1 0 365.448 6.170 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029322938 581092465 /nfs/dbraw/zinc/09/24/65/581092465.db2.gz QXCVYYFRAMVFFF-UHFFFAOYSA-N -1 0 363.413 5.776 1 0 FKAFRM Cc1c(-c2cccc(Oc3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029326071 207987747 /nfs/dbraw/zinc/98/77/47/207987747.db2.gz HZRPNXITDPVZMM-UHFFFAOYSA-N -1 0 373.383 5.840 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ncccc2c1C(=O)[O-] ZINC000029327753 581092299 /nfs/dbraw/zinc/09/22/99/581092299.db2.gz CZHPPQDMCNLWTO-UHFFFAOYSA-N -1 0 358.372 5.110 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cnccc2c1C(=O)[O-] ZINC000029328594 581092344 /nfs/dbraw/zinc/09/23/44/581092344.db2.gz PVXOIUSRSYFESI-UHFFFAOYSA-N -1 0 358.372 5.110 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccncc2c1C(=O)[O-] ZINC000029328599 581092372 /nfs/dbraw/zinc/09/23/72/581092372.db2.gz ZMZUPRRUKVXOSK-UHFFFAOYSA-N -1 0 358.372 5.110 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccnc2c1C(=O)[O-] ZINC000029328990 581092444 /nfs/dbraw/zinc/09/24/44/581092444.db2.gz XEJPPEUNGQPOCJ-UHFFFAOYSA-N -1 0 358.372 5.110 1 0 FKAFRM COc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029329551 204897940 /nfs/dbraw/zinc/89/79/40/204897940.db2.gz WOZAOKREURVLAY-UHFFFAOYSA-N -1 0 373.383 5.415 1 0 FKAFRM Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc2c1C(=O)[O-] ZINC000029333185 211509869 /nfs/dbraw/zinc/50/98/69/211509869.db2.gz ZCJHQHVBTILFOK-UHFFFAOYSA-N -1 0 373.839 6.229 1 0 FKAFRM Cc1c(-c2ccc(-c3cccnc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029336492 581092466 /nfs/dbraw/zinc/09/24/66/581092466.db2.gz GKWOCDQQLIRDEU-UHFFFAOYSA-N -1 0 358.372 5.110 1 0 FKAFRM Cc1c(-c2ccc(-c3cccs3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029339228 581092303 /nfs/dbraw/zinc/09/23/03/581092303.db2.gz HSLGFWSOSGGEPI-UHFFFAOYSA-N -1 0 363.413 5.776 1 0 FKAFRM CCCn1c2ccccc2c(C2=CC[C@@H](C(=O)[O-])CC2)c1-c1ccccc1 ZINC000029397085 220601964 /nfs/dbraw/zinc/60/19/64/220601964.db2.gz DFXXFWNLQFOPCR-LJQANCHMSA-N -1 0 359.469 5.986 1 0 FKAFRM Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029463220 581093668 /nfs/dbraw/zinc/09/36/68/581093668.db2.gz IMZOZYVKXLRIIM-UHFFFAOYSA-N -1 0 372.399 5.791 1 0 FKAFRM Cc1c(Oc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029464484 581093647 /nfs/dbraw/zinc/09/36/47/581093647.db2.gz HWJMQFBEFAYRMT-UHFFFAOYSA-N -1 0 373.383 5.840 1 0 FKAFRM CCCc1cccc2cc(-c3ccc(-c4ccc(C(=O)[O-])s4)[nH]3)sc21 ZINC000029467757 211511367 /nfs/dbraw/zinc/51/13/67/211511367.db2.gz DSSGYIQRPQEYQV-UHFFFAOYSA-N -1 0 367.495 6.276 1 0 FKAFRM CCCc1cccc2cc(-c3ccc(-c4cc(C)c(C(=O)[O-])cc4C)[nH]3)oc21 ZINC000029469731 204900801 /nfs/dbraw/zinc/90/08/01/204900801.db2.gz WNXPXYLEMZNWBZ-UHFFFAOYSA-N -1 0 373.452 6.362 1 0 FKAFRM Cc1ccc(C)c2oc(-c3ccc(-c4cc(C)c(C(=O)[O-])cc4C)[nH]3)cc21 ZINC000029470526 211513449 /nfs/dbraw/zinc/51/34/49/211513449.db2.gz TUCFCHIXKCRYDW-UHFFFAOYSA-N -1 0 359.425 6.027 1 0 FKAFRM O=C([O-])c1cccc(-c2ccc(-c3cc4cccc(Cl)c4s3)[nH]2)c1 ZINC000029470828 204900474 /nfs/dbraw/zinc/90/04/74/204900474.db2.gz MRMAJHDZMBMLDG-UHFFFAOYSA-N -1 0 353.830 5.915 1 0 FKAFRM CC(/C=C/C=C(\C)COc1ccc(C(C)(C)C)cc1C(C)(C)C)=C\C(=O)[O-] ZINC000029555315 211515766 /nfs/dbraw/zinc/51/57/66/211515766.db2.gz HFTSTEFOQJACOR-MIJXZNDSSA-N -1 0 370.533 6.194 1 0 FKAFRM O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000029561785 211515761 /nfs/dbraw/zinc/51/57/61/211515761.db2.gz CSSPRVUSIKJSLW-UHFFFAOYSA-N -1 0 351.016 5.258 1 0 FKAFRM C/C(=C/c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000031494416 211533194 /nfs/dbraw/zinc/53/31/94/211533194.db2.gz AJYSMFOKGBZPCF-SSZFMOIBSA-N -1 0 362.513 6.603 1 0 FKAFRM CCCCC[C@@H](O)CCC(=O)C(=O)C=CCCCCCCCC(=O)[O-] ZINC000032821768 571744734 /nfs/dbraw/zinc/74/47/34/571744734.db2.gz PBCZCSXKHMNACJ-WPBSXCSQSA-N -1 0 354.487 5.183 1 0 endogenous,in-man FKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033820886 220749207 /nfs/dbraw/zinc/74/92/07/220749207.db2.gz AZFLHSKQKSZOET-NWFSOSCSSA-N -1 0 374.565 5.283 1 0 FKAFRM CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)c(O)cc1[O-] ZINC000033831215 291087011 /nfs/dbraw/zinc/08/70/11/291087011.db2.gz OYFBMJVJPUPJQG-VZRGJMDUSA-N -1 0 356.506 6.180 1 0 biogenic,in-vitro FKAFRM CC(/C=C/[C@H]1C[C@@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000034008852 208102757 /nfs/dbraw/zinc/10/27/57/208102757.db2.gz HMDVFKHLXNHBGR-PNBLZRFASA-N -1 0 366.545 6.209 1 0 FKAFRM CC(/C=C/[C@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000034008853 208102961 /nfs/dbraw/zinc/10/29/61/208102961.db2.gz HMDVFKHLXNHBGR-TXXFPOLCSA-N -1 0 366.545 6.209 1 0 FKAFRM CC(/C=C/[C@@H]1C[C@]1(C)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000034008855 208103463 /nfs/dbraw/zinc/10/34/63/208103463.db2.gz HMDVFKHLXNHBGR-JAWMLWDISA-N -1 0 366.545 6.209 1 0 FKAFRM CCCCCc1cc(O)c(C/C=C(/C)CCC=C(C)C)c(O)c1C(=O)[O-] ZINC000034065363 210186508 /nfs/dbraw/zinc/18/65/08/210186508.db2.gz SEEZIOZEUUMJME-VBKFSLOCSA-N -1 0 360.494 5.764 1 0 in-vitro FKAFRM O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c21)CCCC3 ZINC000034096411 581102047 /nfs/dbraw/zinc/10/20/47/581102047.db2.gz XAYKLHUEULGGGJ-UHFFFAOYSA-N -1 0 373.374 5.285 1 0 in-vitro FKAFRM C[C@]1(c2ccc3c(c2)C(C)(C)CCC3(C)C)O[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000034110889 208102937 /nfs/dbraw/zinc/10/29/37/208102937.db2.gz MJVVETLXZJGUTO-GBXCKJPGSA-N -1 0 364.485 5.721 1 0 FKAFRM C[C@@]1(c2ccc3c(c2)C(C)(C)CCC3(C)C)O[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000034110891 220753008 /nfs/dbraw/zinc/75/30/08/220753008.db2.gz MJVVETLXZJGUTO-RDPSFJRHSA-N -1 0 364.485 5.721 1 0 FKAFRM O=C([O-])c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccccc21 ZINC000034305777 581101630 /nfs/dbraw/zinc/10/16/30/581101630.db2.gz DOKWWDZGRNLEEJ-UHFFFAOYSA-N -1 0 357.365 5.098 1 0 FKAFRM CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)[O-] ZINC000034334813 571752032 /nfs/dbraw/zinc/75/20/32/571752032.db2.gz YHGJECVSSKXFCJ-SFGLVEFQSA-N -1 0 356.550 7.329 1 0 endogenous,in-man FKAFRM CC[C@@](C)(CC(=O)[O-])Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000034412297 208104858 /nfs/dbraw/zinc/10/48/58/208104858.db2.gz XKPABPUZOPQTMH-OAQYLSRUSA-N -1 0 370.880 5.172 1 0 FKAFRM Cc1ccc(-c2ccc3c(c2)[nH]c2c3CCc3cc(C(=O)[O-])c(O)cc3-2)cc1 ZINC000034893868 220766424 /nfs/dbraw/zinc/76/64/24/220766424.db2.gz PSZGPPRBPMPRLQ-UHFFFAOYSA-N -1 0 369.420 5.313 1 0 FKAFRM Cc1c(-c2ccc(Cl)cc2)nc2c(cccc2C(F)(F)F)c1C(=O)[O-] ZINC000035086902 208120118 /nfs/dbraw/zinc/12/01/18/208120118.db2.gz CBPOWYLHTMNBRJ-UHFFFAOYSA-N -1 0 365.738 5.581 1 0 FKAFRM CC(C)c1cccc2c1nc(Cc1ccc(Cl)cc1)c(O)c2C(=O)[O-] ZINC000035087093 208118951 /nfs/dbraw/zinc/11/89/51/208118951.db2.gz GWTUJJVNZIYLNO-UHFFFAOYSA-N -1 0 355.821 5.006 1 0 FKAFRM CC[C@@H](C)c1cccc2c1nc(Cc1ccc(Cl)cc1)c(O)c2C(=O)[O-] ZINC000035087132 208119373 /nfs/dbraw/zinc/11/93/73/208119373.db2.gz BWJYWBKYLBZRHI-GFCCVEGCSA-N -1 0 369.848 5.396 1 0 FKAFRM CC[C@H](C)c1cccc2c1nc(Cc1ccc(Cl)cc1)c(O)c2C(=O)[O-] ZINC000035087134 208119179 /nfs/dbraw/zinc/11/91/79/208119179.db2.gz BWJYWBKYLBZRHI-LBPRGKRZSA-N -1 0 369.848 5.396 1 0 FKAFRM CCCOc1ccc(Cl)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1 ZINC000035859651 220792893 /nfs/dbraw/zinc/79/28/93/220792893.db2.gz JRJJZRYLVLIAAM-UHFFFAOYSA-N -1 0 367.832 5.556 1 0 FKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2CCC1 ZINC000035906765 208137591 /nfs/dbraw/zinc/13/75/91/208137591.db2.gz PDHOKGGNEKRZHO-UHFFFAOYSA-N -1 0 359.469 6.000 1 0 FKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2NC(=O)C1 ZINC000035931384 208138328 /nfs/dbraw/zinc/13/83/28/208138328.db2.gz YVPUSKFBJNVTFX-UHFFFAOYSA-N -1 0 374.440 5.006 1 0 FKAFRM CCC[C@@]1(C(=O)[O-])CCCc2c1[nH]c1c2c(C(F)(F)F)ccc1Cl ZINC000035966464 208140153 /nfs/dbraw/zinc/14/01/53/208140153.db2.gz UJIFIPSJPHVBSG-MRXNPFEDSA-N -1 0 359.775 5.299 1 0 FKAFRM Cc1cccc(-c2cc([O-])c(Sc3ccccc3C(C)C)c(=O)o2)c1 ZINC000036124536 205007299 /nfs/dbraw/zinc/00/72/99/205007299.db2.gz JWHJBCAUIIRKGP-UHFFFAOYSA-N -1 0 352.455 5.595 1 0 FKAFRM Cc1ccc(-c2cc([O-])c(Sc3ccccc3C(C)C)c(=O)o2)cc1 ZINC000036124542 208148128 /nfs/dbraw/zinc/14/81/28/208148128.db2.gz ZCAYXHUYLXZVMK-UHFFFAOYSA-N -1 0 352.455 5.595 1 0 FKAFRM CC(C)c1ccccc1Sc1c([O-])cc(-c2cccc(Cl)c2)oc1=O ZINC000036124546 205007613 /nfs/dbraw/zinc/00/76/13/205007613.db2.gz SKZIETYYFMFBNM-UHFFFAOYSA-N -1 0 372.873 5.940 1 0 FKAFRM CC(C)c1ccccc1Sc1c([O-])cc(-c2ccc(Cl)cc2)oc1=O ZINC000036124549 208150548 /nfs/dbraw/zinc/15/05/48/208150548.db2.gz WLWNCMJSZYJCCF-UHFFFAOYSA-N -1 0 372.873 5.940 1 0 FKAFRM COc1ccccc1-c1cc([O-])c(Sc2ccccc2C(C)C)c(=O)o1 ZINC000036124550 205007894 /nfs/dbraw/zinc/00/78/94/205007894.db2.gz OGYFLKVIQSYXFJ-UHFFFAOYSA-N -1 0 368.454 5.296 1 0 FKAFRM Cc1ccccc1-c1cc([O-])c(Sc2ccccc2C(C)C)c(=O)o1 ZINC000036124569 205006861 /nfs/dbraw/zinc/00/68/61/205006861.db2.gz APPQMWKQFRWSJQ-UHFFFAOYSA-N -1 0 352.455 5.595 1 0 FKAFRM CC(C)c1ccccc1Sc1c([O-])cc(-c2ccccc2Cl)oc1=O ZINC000036124581 208150564 /nfs/dbraw/zinc/15/05/64/208150564.db2.gz YXWCXRVLEUDATR-UHFFFAOYSA-N -1 0 372.873 5.940 1 0 FKAFRM Cc1c(-c2ccnc3c(Cl)cccc23)c2cc(C)ccc2n1CC(=O)[O-] ZINC000036127000 220806909 /nfs/dbraw/zinc/80/69/09/220806909.db2.gz IGAKOCYZIOYZOG-UHFFFAOYSA-N -1 0 364.832 5.211 1 0 FKAFRM Cc1c(-c2ccnc3cc(Cl)ccc32)c2ccc(C)cc2n1CC(=O)[O-] ZINC000036127014 205007975 /nfs/dbraw/zinc/00/79/75/205007975.db2.gz BBXFOTRWNRLFBT-UHFFFAOYSA-N -1 0 364.832 5.211 1 0 FKAFRM O=C([O-])c1ccc2cc(-c3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000036179314 205007055 /nfs/dbraw/zinc/00/70/55/205007055.db2.gz VJRMJLPRFKLYTE-UHFFFAOYSA-N -1 0 363.800 5.979 1 0 FKAFRM CCN(C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000036241992 208152945 /nfs/dbraw/zinc/15/29/45/208152945.db2.gz PQPQJCKYWXRQJD-DWLYSLLYSA-N -1 0 357.538 5.695 1 0 FKAFRM CC(/C=C/[C@@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000036241998 205009015 /nfs/dbraw/zinc/00/90/15/205009015.db2.gz MNVPYFNLMYKEKF-OXBIILCZSA-N -1 0 367.533 5.592 1 0 FKAFRM CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000036242000 211658754 /nfs/dbraw/zinc/65/87/54/211658754.db2.gz MNVPYFNLMYKEKF-JFCAQSKFSA-N -1 0 367.533 5.592 1 0 FKAFRM CCCN(C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000036242011 211658028 /nfs/dbraw/zinc/65/80/28/211658028.db2.gz NJUNLFLTZKMXMQ-NJESZQPCSA-N -1 0 371.565 6.085 1 0 FKAFRM O=C([O-])c1ccc2c(c1)n1c(c2C2CCCCC2)-c2ccccc2OCC1 ZINC000036350480 205012199 /nfs/dbraw/zinc/01/21/99/205012199.db2.gz VKTWFDHUNCNXTL-UHFFFAOYSA-N -1 0 361.441 5.447 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@H]1CCCOc3ccccc3C1=C2C1CCCCC1 ZINC000036350486 208155966 /nfs/dbraw/zinc/15/59/66/208155966.db2.gz NNDCTQKILRJYQE-GOSISDBHSA-N -1 0 374.480 6.146 1 0 FKAFRM CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000037865648 205034588 /nfs/dbraw/zinc/03/45/88/205034588.db2.gz BOOOLEGQBVUTKC-ODSZQBQNSA-N -1 0 352.518 5.900 1 0 FKAFRM CC(C)=C(/C=C\C(C)=C\C(=O)[O-])c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000037865708 208190667 /nfs/dbraw/zinc/19/06/67/208190667.db2.gz KFJQUPNADUACOF-QLEYOENDSA-N -1 0 366.545 6.725 1 0 FKAFRM O=C([O-])c1cccc2c3c(n(Cc4ccc(C(F)(F)F)cc4)c21)CCCC3 ZINC000038424326 205040057 /nfs/dbraw/zinc/04/00/57/205040057.db2.gz OMKNZICSDDEFFV-UHFFFAOYSA-N -1 0 373.374 5.285 1 0 FKAFRM Cc1c(Sc2ccc(Cl)cc2)c2cccc(Cl)c2n1CC(=O)[O-] ZINC000038495198 220852214 /nfs/dbraw/zinc/85/22/14/220852214.db2.gz UDYKRMHOQKAQNZ-UHFFFAOYSA-N -1 0 366.269 5.492 1 0 FKAFRM O=C([O-])c1cccc2c3c(n(Cc4cccc(C(F)(F)F)c4)c21)CCCC3 ZINC000038699187 205042039 /nfs/dbraw/zinc/04/20/39/205042039.db2.gz SSSQUPDZJXCKSM-UHFFFAOYSA-N -1 0 373.374 5.285 1 0 FKAFRM C/C(=C\Cc1cc(C(=O)[O-])ccc1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000039008723 291085603 /nfs/dbraw/zinc/08/56/03/291085603.db2.gz XTHUWDOULQJWNT-MNGAKZHMSA-N -1 0 358.478 5.001 1 0 biogenic,in-vitro FKAFRM CCCCC[C@H](O)CCC(=O)C(=O)C=CCCCCCCCC(=O)[O-] ZINC000040165196 571759216 /nfs/dbraw/zinc/75/92/16/571759216.db2.gz PBCZCSXKHMNACJ-PNLTVJKTSA-N -1 0 354.487 5.183 1 0 endogenous,in-man FKAFRM CC(C)(C)Oc1ccc(/C=C2\C=C(CC(=O)[O-])c3cc(F)ccc32)cc1 ZINC000040379515 220901733 /nfs/dbraw/zinc/90/17/33/220901733.db2.gz CGFBDMOUJWFUTH-XNTDXEJSSA-N -1 0 352.405 5.415 1 0 FKAFRM CC(C)=CCC/C(C)=C/CC[C@]1(C)CC(=O)c2cc(C(=O)[O-])ccc2O1 ZINC000040379614 211740613 /nfs/dbraw/zinc/74/06/13/211740613.db2.gz WGCDLRCGHUQPCD-KYIYGJGQSA-N -1 0 356.462 5.582 1 0 FKAFRM CC1(c2cc(-c3ccc(/C=C/C(=O)[O-])cc3Cl)ccc2O)CCCCC1 ZINC000040392617 208250160 /nfs/dbraw/zinc/25/01/60/208250160.db2.gz SPCYQAVBCOCHLI-UXBLZVDNSA-N -1 0 370.876 6.032 1 0 FKAFRM O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1 ZINC000040405720 205069389 /nfs/dbraw/zinc/06/93/89/205069389.db2.gz DYZWIPDIDSFNLE-FQEVSTJZSA-N -1 0 352.817 5.082 1 0 FKAFRM O=C([O-])c1ccccc1Nc1ccc(CCCc2cccc(Cl)c2)cc1 ZINC000040420790 205070983 /nfs/dbraw/zinc/07/09/83/205070983.db2.gz JGMFZJQSBYICLJ-UHFFFAOYSA-N -1 0 365.860 5.957 1 0 FKAFRM CC(/C=C/C1=C(C)[C@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-] ZINC000040434388 208254320 /nfs/dbraw/zinc/25/43/20/208254320.db2.gz MRFBVQCSZMKBFY-ATQVGMDSSA-N -1 0 366.505 5.650 1 0 in-vivo FKAFRM CCNC(=O)/C(C(=O)[O-])=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000040465807 208255630 /nfs/dbraw/zinc/25/56/30/208255630.db2.gz BOPGZYTZIJQPIR-PPNLBOGDSA-N -1 0 371.521 5.109 1 0 FKAFRM C=CC(=O)O[C@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])=C1C ZINC000040466734 211745475 /nfs/dbraw/zinc/74/54/75/211745475.db2.gz DDTNREZXXOVWPW-ORGWOOJJSA-N -1 0 370.489 5.310 1 0 FKAFRM C=CC(=O)O[C@@H]1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])=C1C ZINC000040466735 205071946 /nfs/dbraw/zinc/07/19/46/205071946.db2.gz DDTNREZXXOVWPW-CELDDMJTSA-N -1 0 370.489 5.310 1 0 FKAFRM O=C([O-])c1ccc(-c2ccc(-c3ccc(C(=O)c4ccccc4)cc3)cc2)o1 ZINC000040585048 220910459 /nfs/dbraw/zinc/91/04/59/220910459.db2.gz UKLDRYNCWUIPPD-UHFFFAOYSA-N -1 0 368.388 5.543 1 0 in-vivo FKAFRM CCOC(=O)/C(C(=O)[O-])=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000040617280 208259173 /nfs/dbraw/zinc/25/91/73/208259173.db2.gz RYTNEPWDZCZOFE-PPNLBOGDSA-N -1 0 372.505 5.536 1 0 FKAFRM CCNC(=O)/C(C(=O)[O-])=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000040620060 211751244 /nfs/dbraw/zinc/75/12/44/211751244.db2.gz BOPGZYTZIJQPIR-PKBUNJFLSA-N -1 0 371.521 5.109 1 0 FKAFRM CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)[O-])OC(C)=O ZINC000040632401 208260333 /nfs/dbraw/zinc/26/03/33/208260333.db2.gz CNTKAIDEGOKLJP-MWJVALQUSA-N -1 0 362.510 5.758 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@H]3O[C@H]3c3ccc(C(=O)[O-])cc3)ccc21 ZINC000040802052 208271083 /nfs/dbraw/zinc/27/10/83/208271083.db2.gz RQPFFBDHHKQKFQ-VQTJNVASSA-N -1 0 350.458 5.546 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3O[C@H]3c3ccc(C(=O)[O-])cc3)ccc21 ZINC000040802056 205081804 /nfs/dbraw/zinc/08/18/04/205081804.db2.gz RQPFFBDHHKQKFQ-PMACEKPBSA-N -1 0 350.458 5.546 1 0 FKAFRM CC1(C)CCC(C)(C)c2cc([C@@H]3O[C@@H]3c3ccc(C(=O)[O-])cc3)ccc21 ZINC000040802064 208270779 /nfs/dbraw/zinc/27/07/79/208270779.db2.gz RQPFFBDHHKQKFQ-UXHICEINSA-N -1 0 350.458 5.546 1 0 FKAFRM C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc(OCc4ccccc4)ccc3CC[C@@H]12 ZINC000040829325 205082997 /nfs/dbraw/zinc/08/29/97/205082997.db2.gz GCOHVGCNKUNLJF-JRFVFWCSSA-N -1 0 364.485 5.361 1 0 FKAFRM Cc1ccc(CCc2ccc(Nc3ccccc3C(=O)[O-])cc2)cc1Cl ZINC000040835814 205083005 /nfs/dbraw/zinc/08/30/05/205083005.db2.gz NGHBEPLUGPVSRA-UHFFFAOYSA-N -1 0 365.860 5.875 1 0 FKAFRM O=C([O-])CC1=C/C(=C\c2ccc(Br)cc2)c2ccc(F)cc21 ZINC000040846922 205082941 /nfs/dbraw/zinc/08/29/41/205082941.db2.gz ROJRYAFCVBNBDH-KPKJPENVSA-N -1 0 359.194 5.001 1 0 FKAFRM O=C([O-])CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21 ZINC000040849027 205082864 /nfs/dbraw/zinc/08/28/64/205082864.db2.gz VJDZAFANKNWYHT-XDHOZWIPSA-N -1 0 356.396 5.905 1 0 FKAFRM CCCCC/C=C\C=C\[C@H](O)C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] ZINC000040861698 220923029 /nfs/dbraw/zinc/92/30/29/220923029.db2.gz WCPFNHAOKQUJEV-XOXYUZRWSA-N -1 0 374.565 6.524 1 0 in-vitro FKAFRM CCCCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] ZINC000040861700 205083240 /nfs/dbraw/zinc/08/32/40/205083240.db2.gz WCPFNHAOKQUJEV-CCRANPHBSA-N -1 0 374.565 6.524 1 0 in-vitro FKAFRM O=C([O-])[C@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000040896264 581101673 /nfs/dbraw/zinc/10/16/73/581101673.db2.gz DKBQUFWMBYWUDK-FQEVSTJZSA-N -1 0 368.816 5.207 1 0 FKAFRM O=C([O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000040896266 581101693 /nfs/dbraw/zinc/10/16/93/581101693.db2.gz DKBQUFWMBYWUDK-HXUWFJFHSA-N -1 0 368.816 5.207 1 0 FKAFRM O=C([O-])[C@H](Cc1ccc(-c2cccs2)cc1)Oc1ccc(Cl)cc1 ZINC000040913431 581101694 /nfs/dbraw/zinc/10/16/94/581101694.db2.gz KCXRTOMBQGOLRH-KRWDZBQOSA-N -1 0 358.846 5.143 1 0 FKAFRM C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc(OCC4CCCCC4)ccc3CC[C@@H]12 ZINC000040916725 208274373 /nfs/dbraw/zinc/27/43/73/208274373.db2.gz KSWQIYCBBRHCCD-JRFVFWCSSA-N -1 0 370.533 5.741 1 0 FKAFRM O=C([O-])c1ccccc1Nc1ccc(CCCc2ccccc2Cl)cc1 ZINC000040936350 518201616 /nfs/dbraw/zinc/20/16/16/518201616.db2.gz RYMUCVITANYTGM-UHFFFAOYSA-N -1 0 365.860 5.957 1 0 FKAFRM COc1ccc(CCCc2ccc(Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000040936465 205085646 /nfs/dbraw/zinc/08/56/46/205085646.db2.gz WEKNNRMFCWDFSQ-UHFFFAOYSA-N -1 0 361.441 5.312 1 0 FKAFRM O=C([O-])c1cc2c(cc1O)-c1[nH]c3cccc(-c4ccccc4)c3c1CC2 ZINC000040949931 205085202 /nfs/dbraw/zinc/08/52/02/205085202.db2.gz MARNUACHJBLVOP-UHFFFAOYSA-N -1 0 355.393 5.004 1 0 FKAFRM CCC(=O)Nc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000040975960 205086137 /nfs/dbraw/zinc/08/61/37/205086137.db2.gz MUYKEJMEIIKNHZ-UEVCKROQSA-N -1 0 371.521 5.253 1 0 FKAFRM O=C([O-])c1ccccc1Nc1ccc(CCc2cccc(Cl)c2)cc1 ZINC000040977635 211766146 /nfs/dbraw/zinc/76/61/46/211766146.db2.gz MSGRXDSNAPBTLM-UHFFFAOYSA-N -1 0 351.833 5.567 1 0 FKAFRM CC(C)(C(=O)[O-])c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1 ZINC000042966686 211784451 /nfs/dbraw/zinc/78/44/51/211784451.db2.gz FHYOMNYZIGSVNX-UHFFFAOYSA-N -1 0 356.425 5.259 1 0 FKAFRM CCCCCN(C)C(=O)N(C)CCCC/C=C\CCCCCCC(=O)[O-] ZINC000043012089 208300134 /nfs/dbraw/zinc/30/01/34/208300134.db2.gz PQTSUIMYXOUECS-CLFYSBASSA-N -1 0 368.562 5.312 1 0 FKAFRM O=C([O-])CCc1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 ZINC000043018489 208300595 /nfs/dbraw/zinc/30/05/95/208300595.db2.gz YPTJRGFJUSTGIA-UHFFFAOYSA-N -1 0 365.860 5.439 1 0 FKAFRM O=c1cc(-c2ccccc2)c2c([O-])cc(-c3cc4ccccc4s3)cc2o1 ZINC000043018687 205099091 /nfs/dbraw/zinc/09/90/91/205099091.db2.gz QFMMDUFBZYLEMN-UHFFFAOYSA-N -1 0 370.429 6.047 1 0 FKAFRM CCCCCCN(C)C(=O)CCCC/C=C\CCCCCCC(=O)[O-] ZINC000043019108 205099858 /nfs/dbraw/zinc/09/98/58/205099858.db2.gz XBXKWJAVFVEYCQ-VURMDHGXSA-N -1 0 353.547 5.567 1 0 FKAFRM CCCCCc1cc2c(c(O)c1C(=O)[O-])-c1cc(C)c(O)cc1C(C)(C)O2 ZINC000043078831 220944551 /nfs/dbraw/zinc/94/45/51/220944551.db2.gz DMVDJDMFQCOKJW-UHFFFAOYSA-N -1 0 370.445 5.132 1 0 FKAFRM CC(C)Cc1cc(-c2c[nH]c3ncc(-c4ccccc4)cc23)ccc1C(=O)[O-] ZINC000043122465 208303062 /nfs/dbraw/zinc/30/30/62/208303062.db2.gz PGBYHFSGSTUFFN-UHFFFAOYSA-N -1 0 370.452 5.794 1 0 FKAFRM Cc1c(F)c(Nc2ncccc2C(=O)[O-])c(F)cc1-c1ccccc1Cl ZINC000043196572 205100791 /nfs/dbraw/zinc/10/07/91/205100791.db2.gz YGWJPXJALBJJAN-UHFFFAOYSA-N -1 0 374.774 5.430 1 0 FKAFRM Cc1cc(C(=O)[O-])nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc21 ZINC000043197591 205101383 /nfs/dbraw/zinc/10/13/83/205101383.db2.gz GKKBLQYJVQMYST-UHFFFAOYSA-N -1 0 366.804 5.005 1 0 FKAFRM O=c1oc2ccc3c(c2c([O-])c1Cc1cccc2ccccc21)CCCC3 ZINC000045257930 208329628 /nfs/dbraw/zinc/32/96/28/208329628.db2.gz RTNKJVPYENADGO-UHFFFAOYSA-N -1 0 356.421 5.121 1 0 FKAFRM O=c1oc2c(ccc3c2CCCC3)c([O-])c1Cc1cccc2ccccc21 ZINC000045261496 205119091 /nfs/dbraw/zinc/11/90/91/205119091.db2.gz QBNGRDQEQKAJRX-UHFFFAOYSA-N -1 0 356.421 5.121 1 0 FKAFRM Cc1cc2c(cc1C(=O)c1ccc(C(=O)[O-])c(F)c1)C(C)(C)CCC2(C)C ZINC000045285296 208329737 /nfs/dbraw/zinc/32/97/37/208329737.db2.gz MBYJFBOWWUYWJI-UHFFFAOYSA-N -1 0 368.448 5.412 1 0 FKAFRM O=C([O-])c1cc(-c2cccc(Cl)c2Cl)cnc1N1CCCCCC1 ZINC000045285337 208329694 /nfs/dbraw/zinc/32/96/94/208329694.db2.gz INLYRLVAMGTAHS-UHFFFAOYSA-N -1 0 365.260 5.134 1 0 FKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 ZINC000045287870 581101682 /nfs/dbraw/zinc/10/16/82/581101682.db2.gz WROBXNIPOICBSO-NRFANRHFSA-N -1 0 364.466 5.054 1 0 FKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1 ZINC000045287872 581101659 /nfs/dbraw/zinc/10/16/59/581101659.db2.gz WROBXNIPOICBSO-OAQYLSRUSA-N -1 0 364.466 5.054 1 0 FKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1 ZINC000045288204 581101651 /nfs/dbraw/zinc/10/16/51/581101651.db2.gz GUOBGIGORNBZEV-NRFANRHFSA-N -1 0 364.466 5.054 1 0 FKAFRM O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1 ZINC000045288206 581101635 /nfs/dbraw/zinc/10/16/35/581101635.db2.gz GUOBGIGORNBZEV-OAQYLSRUSA-N -1 0 364.466 5.054 1 0 FKAFRM O=c1oc2ccc3c(c2c([O-])c1Cc1ccc2ccccc2c1)CCCC3 ZINC000045290875 208329475 /nfs/dbraw/zinc/32/94/75/208329475.db2.gz PTINTNGGKFMJLC-UHFFFAOYSA-N -1 0 356.421 5.121 1 0 FKAFRM Cc1cc2c(cc1Cc1ccc(C(=O)[O-])cc1F)C(C)(C)CCC2(C)C ZINC000045299198 208328725 /nfs/dbraw/zinc/32/87/25/208328725.db2.gz JLOLISLIYVSIJM-UHFFFAOYSA-N -1 0 354.465 5.772 1 0 FKAFRM Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)CCC2(C)C ZINC000045321330 581092447 /nfs/dbraw/zinc/09/24/47/581092447.db2.gz HLSZUZQZXROBMJ-UHFFFAOYSA-N -1 0 354.465 5.772 1 0 FKAFRM Cc1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)[O-])c(C)c4)c3c2)cc1C ZINC000045334788 208331822 /nfs/dbraw/zinc/33/18/22/208331822.db2.gz HAMDKHMFDLNHRY-UHFFFAOYSA-N -1 0 356.425 5.520 1 0 FKAFRM O=C([O-])Cc1sc(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000045375236 208332403 /nfs/dbraw/zinc/33/24/03/208332403.db2.gz FBBQAANBEBCACK-UHFFFAOYSA-N -1 0 371.461 5.771 1 0 FKAFRM CC[C@@H](c1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1)c1ccccc1 ZINC000045384370 208331519 /nfs/dbraw/zinc/33/15/19/208331519.db2.gz HDVJQXALBFFODC-MRXNPFEDSA-N -1 0 371.889 5.633 1 0 FKAFRM O=C([O-])c1ccc2c(c1)[C@@H]1CCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000049035464 205169170 /nfs/dbraw/zinc/16/91/70/205169170.db2.gz PLFHELPYKSYXIL-VBHSOAQHSA-N -1 0 362.256 5.742 1 0 FKAFRM Cc1ccccc1-n1c(=S)[n-]nc1Nc1nc(-c2ccccc2)cs1 ZINC000049112324 205170261 /nfs/dbraw/zinc/17/02/61/205170261.db2.gz OYFYEDOOXIBQPI-UHFFFAOYSA-N -1 0 365.487 5.105 1 0 FKAFRM Cc1ccc(-n2c(=S)[n-]nc2Nc2nc(-c3ccccc3)cs2)cc1 ZINC000049784112 221027656 /nfs/dbraw/zinc/02/76/56/221027656.db2.gz KBMLGHOVHKNVPQ-UHFFFAOYSA-N -1 0 365.487 5.105 1 0 FKAFRM CCCN(C/C=C/C(C)=C/C(=O)[O-])c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000053268030 221045292 /nfs/dbraw/zinc/04/52/92/221045292.db2.gz MLKUZGWWFQVOBN-IFNZLIBBSA-N -1 0 369.549 5.839 1 0 FKAFRM CC/C=C/[C@@H](CC)C/C(=C/[C@@](O)(CC)C[C@@](O)(/C=C/C(=O)[O-])CC)CC ZINC000058536499 221120707 /nfs/dbraw/zinc/12/07/07/221120707.db2.gz LSVMTGUPGAJFCN-YNVWABQLSA-N -1 0 366.542 5.018 1 0 FKAFRM O=C([O-])c1ccccc1Nc1ccc2nc(Nc3ccccc3)sc2c1 ZINC000058574822 208585830 /nfs/dbraw/zinc/58/58/30/208585830.db2.gz JQQRIXHGJWDRTJ-UHFFFAOYSA-N -1 0 361.426 5.482 1 0 FKAFRM CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)[O-])cn1 ZINC000058581812 205277443 /nfs/dbraw/zinc/27/74/43/205277443.db2.gz RXCTZCYFGJAJCU-UHFFFAOYSA-N -1 0 352.478 5.287 1 0 FKAFRM CC1=C[C@@H](C)[C@@H]2C(C)=C[C@](C)(/C=C/C=C/c3ccccc3)[C@](C)(C(=O)[O-])[C@@H]12 ZINC000058583809 221121811 /nfs/dbraw/zinc/12/18/11/221121811.db2.gz KNDMYWMVTUEPLZ-MACPZBPUSA-N -1 0 362.513 6.142 1 0 FKAFRM CCC1=C[C@@H](C)[C@@H]2C(C)=C[C@@](/C=C/c3ccccc3)(CC)[C@](C)(C(=O)[O-])[C@@H]12 ZINC000058591283 205277228 /nfs/dbraw/zinc/27/72/28/205277228.db2.gz DGVIYEMUVWSVTP-OXAAXFJDSA-N -1 0 364.529 6.366 1 0 FKAFRM Cc1ccc(-c2nocc2-c2cc(-c3ccccc3)sc2C(=O)[O-])cc1 ZINC000058603517 205276911 /nfs/dbraw/zinc/27/69/11/205276911.db2.gz BCEVAYMTEHQZSW-UHFFFAOYSA-N -1 0 361.422 5.744 1 0 FKAFRM O=C([O-])c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)cc1 ZINC000059027310 212015896 /nfs/dbraw/zinc/01/58/96/212015896.db2.gz PZLCDGJPNSTUST-UHFFFAOYSA-N -1 0 363.457 5.174 1 0 FKAFRM O=C([O-])c1ccc(C(=O)Nc2cc3c4c(c2)CCCCC4CCCC3)cc1 ZINC000059027315 205280178 /nfs/dbraw/zinc/28/01/78/205280178.db2.gz AEPXWQPETSSUOU-UHFFFAOYSA-N -1 0 363.457 5.174 1 0 FKAFRM CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000059529648 208591172 /nfs/dbraw/zinc/59/11/72/208591172.db2.gz OXOAFCTVSCEACA-WFEAJIPZSA-N -1 0 366.542 5.140 1 0 FKAFRM CCCC[C@H](CC)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000059529652 221126271 /nfs/dbraw/zinc/12/62/71/221126271.db2.gz KCOVIXLDRHLDSU-ZNBICKNKSA-N -1 0 366.542 5.140 1 0 FKAFRM Cc1cc([O-])c2c(c1C=O)OCC(CC[C@H]1[C@@H](C)CCCC1(C)C)=CC2 ZINC000066079936 205363186 /nfs/dbraw/zinc/36/31/86/205363186.db2.gz WMYGPGWEPCFRQM-YWZLYKJASA-N -1 0 356.506 5.617 1 0 FKAFRM Cc1cccc(CCc2cc(Br)c([O-])c(Br)c2)c1 ZINC000066080013 221239821 /nfs/dbraw/zinc/23/98/21/221239821.db2.gz DKQNRGMHKCDTSF-UHFFFAOYSA-N -1 0 370.084 5.011 1 0 FKAFRM O=C([O-])c1cc2sccc2c(Nc2cccc(Oc3ccccc3)c2)n1 ZINC000066099346 221241795 /nfs/dbraw/zinc/24/17/95/221241795.db2.gz BCALOKFZHDVXBA-UHFFFAOYSA-N -1 0 362.410 5.530 1 0 FKAFRM Cc1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1 ZINC000066103678 221241736 /nfs/dbraw/zinc/24/17/36/221241736.db2.gz FKRGMKAZITYKGR-INIZCTEOSA-N -1 0 368.738 5.107 1 0 FKAFRM Cc1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1 ZINC000066103680 221241175 /nfs/dbraw/zinc/24/11/75/221241175.db2.gz FKRGMKAZITYKGR-MRXNPFEDSA-N -1 0 368.738 5.107 1 0 FKAFRM Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)[O-])c(C)c2)c1 ZINC000066104951 221241035 /nfs/dbraw/zinc/24/10/35/221241035.db2.gz MXTQGUYGYRXCBC-UHFFFAOYSA-N -1 0 374.480 5.875 1 0 FKAFRM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(-c2cccs2)cc1 ZINC000066123344 221242387 /nfs/dbraw/zinc/24/23/87/221242387.db2.gz ZRZZSOIFQQARDE-UHFFFAOYSA-N -1 0 357.818 5.019 1 0 FKAFRM CC(C)(C)c1ccc(C(=O)Nc2c(Cl)c(Cl)ccc2C(=O)[O-])cc1 ZINC000066148013 221243152 /nfs/dbraw/zinc/24/31/52/221243152.db2.gz OYIRONGUEWJZSF-UHFFFAOYSA-N -1 0 366.244 5.241 1 0 FKAFRM Cc1ccccc1-c1c(Cl)ccc2c1C=C(C(=O)[O-])[C@H](C(F)(F)F)O2 ZINC000066259132 208695348 /nfs/dbraw/zinc/69/53/48/208695348.db2.gz VRVDZPBFYOIWQP-MRXNPFEDSA-N -1 0 368.738 5.107 1 0 FKAFRM Cc1ccccc1-c1c(Cl)ccc2c1C=C(C(=O)[O-])[C@@H](C(F)(F)F)O2 ZINC000066259133 221243793 /nfs/dbraw/zinc/24/37/93/221243793.db2.gz VRVDZPBFYOIWQP-INIZCTEOSA-N -1 0 368.738 5.107 1 0 FKAFRM CCCC/C=C/C/C=C/CCCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000070455222 291087486 /nfs/dbraw/zinc/08/74/86/291087486.db2.gz YUWIWHLZEVCYFN-HHWLVVFRSA-N -1 0 372.549 7.056 1 0 biogenic,in-vitro FKAFRM CCCC/C=C\C/C=C\C/C=C\CCCCCc1cccc(O)c1C(=O)[O-] ZINC000070455223 291087483 /nfs/dbraw/zinc/08/74/83/291087483.db2.gz XHGATLCYJAUBJV-AGRJPVHOSA-N -1 0 370.533 6.832 1 0 biogenic,in-vitro FKAFRM O=C([O-])c1cc2cc(OCc3ccccc3)ccc2c(-c2ccccc2)c1 ZINC000071317959 221343119 /nfs/dbraw/zinc/34/31/19/221343119.db2.gz UKBHCOJXXIXZMO-UHFFFAOYSA-N -1 0 354.405 5.784 1 0 FKAFRM O=C([O-])COc1ccc(C(F)(F)F)cc1-c1ccccc1-c1ccccc1 ZINC000071332014 221343825 /nfs/dbraw/zinc/34/38/25/221343825.db2.gz UVPKNLYZFYMWGO-UHFFFAOYSA-N -1 0 372.342 5.503 1 0 FKAFRM CCCCOc1ccccc1-c1cc(C(F)(F)F)ccc1OCC(=O)[O-] ZINC000071410658 221346473 /nfs/dbraw/zinc/34/64/73/221346473.db2.gz WLRJBFZXJGVALQ-UHFFFAOYSA-N -1 0 368.351 5.015 1 0 FKAFRM CSc1ccc(-c2cc([C@@H](C)C(=O)[O-])ccc2C[C@H]2CCCC2=O)cc1 ZINC000072104568 208798513 /nfs/dbraw/zinc/79/85/13/208798513.db2.gz DTRGKAXVIJTRPB-RDTXWAMCSA-N -1 0 368.498 5.175 1 0 FKAFRM CCN(C)C(=O)N(C)CCCC/C=C\CCCCCCCCCC(=O)[O-] ZINC000072108825 208799121 /nfs/dbraw/zinc/79/91/21/208799121.db2.gz FUUQWPOIQFLTSB-LUAWRHEFSA-N -1 0 368.562 5.312 1 0 FKAFRM CCCCC[C@H](O)/C=C/CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000072172065 208824213 /nfs/dbraw/zinc/82/42/13/208824213.db2.gz VHQRJUBBALXICA-SKTWIKFTSA-N -1 0 362.510 5.471 1 0 FKAFRM COc1cc(C(=O)[O-])c(O)c2ccc3c(c12)C=C[C@@](C)(CCC=C(C)C)O3 ZINC000084710408 205659662 /nfs/dbraw/zinc/65/96/62/205659662.db2.gz MPFRBGNULMTVEA-JOCHJYFZSA-N -1 0 368.429 5.163 1 0 FKAFRM CCCCC[C@H](O)/C=C/C=C/CC1(CCCCCC(=O)[O-])CCCC1 ZINC000085491019 291088591 /nfs/dbraw/zinc/08/85/91/291088591.db2.gz UTKDYHXVWRJHJE-KNFSJDOFSA-N -1 0 350.543 6.026 1 0 biogenic,in-vitro FKAFRM CCCCC[C@H](O)/C=C/C=C/CCCC[C@@H](CCC(=O)[O-])CCC(C)C ZINC000085491026 291088582 /nfs/dbraw/zinc/08/85/82/291088582.db2.gz GXMYTVGZPABJDJ-XDQWPUJXSA-N -1 0 366.586 6.518 1 0 biogenic,in-vitro FKAFRM CCCCC[C@@H](O)/C=C\CCCCC[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505966 291088594 /nfs/dbraw/zinc/08/85/94/291088594.db2.gz HVWLGPCYLSPKLN-ZDMWOBFKSA-N -1 0 374.565 6.158 1 0 biogenic,in-vitro FKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-] ZINC000085552712 571782017 /nfs/dbraw/zinc/78/20/17/571782017.db2.gz MMJZTSLHOIGZPU-DOFZRALJSA-N -1 0 360.582 7.777 1 0 endogenous,in-man FKAFRM CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] ZINC000085552729 571782056 /nfs/dbraw/zinc/78/20/56/571782056.db2.gz VENRYLMOFDSSDJ-WMPRHZDHSA-N -1 0 358.566 7.553 1 0 endogenous,in-man FKAFRM CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-] ZINC000085552730 571782050 /nfs/dbraw/zinc/78/20/50/571782050.db2.gz NPTIBOCVSPURCS-JLNKQSITSA-N -1 0 358.566 7.553 1 0 endogenous,in-man FKAFRM C/C(=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)[O-] ZINC000085589239 571784711 /nfs/dbraw/zinc/78/47/11/571784711.db2.gz QSRURDPJEKTSFH-ODPFLYRHSA-N -1 0 372.505 5.630 1 0 endogenous,in-man FKAFRM CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)NCC(=O)[O-] ZINC000085589939 571785672 /nfs/dbraw/zinc/78/56/72/571785672.db2.gz ILSMDNVBZYGMDG-GUDVDZBRSA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)NCC(=O)[O-] ZINC000085589943 571785667 /nfs/dbraw/zinc/78/56/67/571785667.db2.gz ILSMDNVBZYGMDG-IPMKNSEASA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)NCC(=O)[O-] ZINC000085589946 571785538 /nfs/dbraw/zinc/78/55/38/571785538.db2.gz ILSMDNVBZYGMDG-CEXWTWQISA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)C(=O)NCC(=O)[O-] ZINC000085589949 571785687 /nfs/dbraw/zinc/78/56/87/571785687.db2.gz ILSMDNVBZYGMDG-GBESFXJTSA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM Cc1cc(OCCCc2c3ccccc3sc2C(=O)[O-])cc(C)c1Cl ZINC000095543913 203813982 /nfs/dbraw/zinc/81/39/82/203813982.db2.gz GFWMYYSJLSUPMD-UHFFFAOYSA-N -1 0 374.889 5.881 1 0 in-vitro FKAFRM CC(/C=C/[C@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000095552731 221960303 /nfs/dbraw/zinc/96/03/03/221960303.db2.gz BOOOLEGQBVUTKC-KKZWRBBKSA-N -1 0 352.518 5.900 1 0 FKAFRM O=C([O-])C[C@@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000095572140 221961795 /nfs/dbraw/zinc/96/17/95/221961795.db2.gz PRAVUEHOUSEHET-CYBMUJFWSA-N -1 0 370.754 5.190 1 0 FKAFRM COc1cccc(-c2ccc3ccn(Cc4cccc(C(=O)[O-])c4)c3c2)c1 ZINC000095579396 209082033 /nfs/dbraw/zinc/08/20/33/209082033.db2.gz WGCOFSJVJFDXHI-UHFFFAOYSA-N -1 0 357.409 5.063 1 0 FKAFRM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2Sc1ccc(C(F)(F)F)cc1 ZINC000095580739 209082276 /nfs/dbraw/zinc/08/22/76/209082276.db2.gz OPCIYSSDOTVKTK-UHFFFAOYSA-N -1 0 351.349 5.345 1 0 FKAFRM Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2Sc1ccc(Cl)cc1Cl ZINC000095583075 209082457 /nfs/dbraw/zinc/08/24/57/209082457.db2.gz OCZRNBFZMJYOBR-UHFFFAOYSA-N -1 0 352.242 5.633 1 0 FKAFRM Cc1cc(C(=O)[O-])ccc1N(C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095585531 209082624 /nfs/dbraw/zinc/08/26/24/209082624.db2.gz IGVADYUXIXDPDU-UHFFFAOYSA-N -1 0 351.490 5.810 1 0 FKAFRM CC1=C(CC(=O)[O-])c2cc(F)ccc2/C1=C\c1cccc(C(F)(F)F)c1 ZINC000095586547 209081980 /nfs/dbraw/zinc/08/19/80/209081980.db2.gz ARRWDFDNMPRNPJ-PXNMLYILSA-N -1 0 362.322 5.647 1 0 FKAFRM Cc1cc2c(cc1-n1cnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C ZINC000095590774 221966147 /nfs/dbraw/zinc/96/61/47/221966147.db2.gz NYMREQCAQSXAJL-UHFFFAOYSA-N -1 0 362.473 5.381 1 0 FKAFRM CC1=C(CC(=O)[O-])c2cc(Cl)ccc2/C1=C\c1ccc(C(C)C)cc1 ZINC000095592743 205791752 /nfs/dbraw/zinc/79/17/52/205791752.db2.gz WAGDLOSEWPCXHE-GRSHGNNSSA-N -1 0 352.861 6.266 1 0 FKAFRM Cc1cc(OCCCc2c3ccccc3n(C)c2C(=O)[O-])cc(C)c1Cl ZINC000095594284 205792104 /nfs/dbraw/zinc/79/21/04/205792104.db2.gz XYIJQMZUCQCNMO-UHFFFAOYSA-N -1 0 371.864 5.158 1 0 FKAFRM O=C([O-])c1sc2ccccc2c1CCCOc1cccc2ccccc21 ZINC000095596240 209083393 /nfs/dbraw/zinc/08/33/93/209083393.db2.gz WEKMYYBVUYSISQ-UHFFFAOYSA-N -1 0 362.450 5.764 1 0 FKAFRM O=C([O-])c1[nH]c2ccccc2c1CCCOc1cccc(-c2ccccc2)c1 ZINC000095597124 209084119 /nfs/dbraw/zinc/08/41/19/209084119.db2.gz YQMRSDVXHLCEEI-UHFFFAOYSA-N -1 0 371.436 5.545 1 0 FKAFRM Cn1c2ccccc2c(CCCOc2cccc3ccccc32)c1C(=O)[O-] ZINC000095597311 221967272 /nfs/dbraw/zinc/96/72/72/221967272.db2.gz WDWZXNZFJUGMSF-UHFFFAOYSA-N -1 0 359.425 5.041 1 0 FKAFRM Cc1oc2c(cc3c(C)cc(=O)oc3c2C)c1-c1ccc(/C=C/C(=O)[O-])cc1 ZINC000095597486 209083893 /nfs/dbraw/zinc/08/38/93/209083893.db2.gz VYBSVNAXVRYRMJ-RMKNXTFCSA-N -1 0 374.392 5.229 1 0 FKAFRM CCc1cc(OCCCc2c3ccccc3[nH]c2C(=O)[O-])ccc1Cl ZINC000095598089 209083909 /nfs/dbraw/zinc/08/39/09/209083909.db2.gz MTELVMRZGGGOHL-UHFFFAOYSA-N -1 0 357.837 5.094 1 0 FKAFRM CCOC[C@]1(C)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3 ZINC000095918661 291088601 /nfs/dbraw/zinc/08/86/01/291088601.db2.gz ZTRZDZWICICOGN-XJPDHVFFSA-N -1 0 362.554 5.527 1 0 biogenic,in-vitro FKAFRM O=C([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc21 ZINC000096270335 222106657 /nfs/dbraw/zinc/10/66/57/222106657.db2.gz OOWRVCMHHDPFOK-UHFFFAOYSA-N -1 0 359.356 5.531 1 0 FKAFRM O=C([O-])c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(Cl)cc21 ZINC000096270337 222107188 /nfs/dbraw/zinc/10/71/88/222107188.db2.gz HAONBXMADPYEGS-UHFFFAOYSA-N -1 0 367.710 5.152 1 0 FKAFRM O=C([O-])c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)cc1Cl ZINC000096907122 222138032 /nfs/dbraw/zinc/13/80/32/222138032.db2.gz USQQJJSFLDCPAH-UHFFFAOYSA-N -1 0 369.848 5.047 1 0 FKAFRM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000096908280 222138188 /nfs/dbraw/zinc/13/81/88/222138188.db2.gz VHDBTNWKGVYASI-FQEVSTJZSA-N -1 0 352.817 5.082 1 0 FKAFRM O=C([O-])/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1 ZINC000096921481 209161882 /nfs/dbraw/zinc/16/18/82/209161882.db2.gz YZZFKZCMKICUPJ-LPYMAVHISA-N -1 0 369.420 5.372 1 0 FKAFRM O=C([O-])c1cc(-c2ccc(OCc3ccccc3)cc2)nc2ccc(F)cc21 ZINC000096923846 209161897 /nfs/dbraw/zinc/16/18/97/209161897.db2.gz MOXPDCMDTDXXHZ-UHFFFAOYSA-N -1 0 373.383 5.318 1 0 FKAFRM COc1ccc2nc(-c3ccc(Oc4ccccc4)cc3)cc(C(=O)[O-])c2c1 ZINC000096927249 222140846 /nfs/dbraw/zinc/14/08/46/222140846.db2.gz HIDSMGLJMLYGCR-UHFFFAOYSA-N -1 0 371.392 5.401 1 0 FKAFRM O=C([O-])c1cc(-c2ccc(Oc3ccccc3)cc2)nc2c(F)cccc12 ZINC000096927256 222141781 /nfs/dbraw/zinc/14/17/81/222141781.db2.gz DZILOIXBEUUWJC-UHFFFAOYSA-N -1 0 359.356 5.531 1 0 FKAFRM CC(=O)O[C@H](C/C(C)=C/C(=O)[O-])[C@@]1(C)[C@H](C)CC=C2[C@@H]1CCCC2(C)C ZINC000096933125 222142243 /nfs/dbraw/zinc/14/22/43/222142243.db2.gz RPDYJAJHHFYDMP-DKKMUQDGSA-N -1 0 362.510 5.138 1 0 FKAFRM CC(C)C[C@H](Sc1ccccc1)c1c([O-])cc(-c2ccccc2)oc1=O ZINC000096942046 222144828 /nfs/dbraw/zinc/14/48/28/222144828.db2.gz XFVAZZZKQWGAJJ-FQEVSTJZSA-N -1 0 366.482 5.892 1 0 FKAFRM Cc1sc(-c2ccc(Cl)cc2)nc1C1=C([O-])C2(CC1=O)CCCCC2 ZINC000098081919 222226439 /nfs/dbraw/zinc/22/64/39/222226439.db2.gz SCFSFPDUDOHUHY-MRXNPFEDSA-N -1 0 373.905 5.348 1 0 FKAFRM Clc1ccc2nc([N-]c3nnc(-c4ccccc4Cl)o3)sc2c1 ZINC000098082603 205935668 /nfs/dbraw/zinc/93/56/68/205935668.db2.gz GPHNZLFLUBUWIY-UHFFFAOYSA-N -1 0 363.229 5.397 1 0 FKAFRM CC[C@H]1CCCCCCc2c(O)c([C@@H](c3ccccc3)C3CC3)c(=O)oc21 ZINC000100712851 209215808 /nfs/dbraw/zinc/21/58/08/209215808.db2.gz WNGUQXPUAIUOMO-JXFKEZNVSA-N -1 0 366.501 5.888 1 0 FKAFRM CC[C@H]1CCCCCCc2c(O)c([C@H](c3ccccc3)C3CC3)c(=O)oc21 ZINC000100712858 209216276 /nfs/dbraw/zinc/21/62/76/209216276.db2.gz WNGUQXPUAIUOMO-OXJNMPFZSA-N -1 0 366.501 5.888 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@@H](CC1CC1)SC1CCCC1 ZINC000100987787 581101462 /nfs/dbraw/zinc/10/14/62/581101462.db2.gz QEXGTYFMYOSCBX-LJQANCHMSA-N -1 0 356.487 5.529 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@H](CC1CC1)SC1CCCC1 ZINC000100987790 581101503 /nfs/dbraw/zinc/10/15/03/581101503.db2.gz QEXGTYFMYOSCBX-IBGZPJMESA-N -1 0 356.487 5.529 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@@H](CC1CC1)SC1CCCCC1 ZINC000100997194 581099035 /nfs/dbraw/zinc/09/90/35/581099035.db2.gz JBSXNEBMJZBGCO-HXUWFJFHSA-N -1 0 370.514 5.920 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@H](CC1CC1)SC1CCCCC1 ZINC000100997199 581098920 /nfs/dbraw/zinc/09/89/20/581098920.db2.gz JBSXNEBMJZBGCO-FQEVSTJZSA-N -1 0 370.514 5.920 1 0 FKAFRM O=c1c2c(oc([O-])c1C(c1ccccc1)c1ccccc1)CCCCCC2 ZINC000101210513 222264923 /nfs/dbraw/zinc/26/49/23/222264923.db2.gz CBSGETPIAPUNRD-UHFFFAOYSA-N -1 0 360.453 5.185 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@H](SC1CCCC1)C1CCCC1 ZINC000101348311 209224297 /nfs/dbraw/zinc/22/42/97/209224297.db2.gz RPLIDZHZRNKTNS-OAQYLSRUSA-N -1 0 370.514 5.920 1 0 FKAFRM O=c1cc(-c2ccccc2)oc([O-])c1[C@@H](SC1CCCC1)C1CCCC1 ZINC000101348314 209224033 /nfs/dbraw/zinc/22/40/33/209224033.db2.gz RPLIDZHZRNKTNS-NRFANRHFSA-N -1 0 370.514 5.920 1 0 FKAFRM [O-]c1sc(Nc2cccc(C(F)(F)F)c2)nc2c3ccccc3nc1-2 ZINC000101474336 222276206 /nfs/dbraw/zinc/27/62/06/222276206.db2.gz IQKMRAUGVULWEE-UHFFFAOYSA-N -1 0 361.348 5.264 1 0 FKAFRM [O-]c1sc(Nc2ccc(Br)cc2)nc2c3ccccc3nc1-2 ZINC000101494526 222276629 /nfs/dbraw/zinc/27/66/29/222276629.db2.gz JJDVFHAITIXRFR-UHFFFAOYSA-N -1 0 372.247 5.008 1 0 FKAFRM CCOc1ccc2c(c1)C(CC(=O)[O-])=C(C)/C2=C/c1ccc(C(C)C)cc1 ZINC000101669736 222280436 /nfs/dbraw/zinc/28/04/36/222280436.db2.gz NRSSQZXATYHVTO-MTJSOVHGSA-N -1 0 362.469 6.011 1 0 FKAFRM C[C@H]1CC[C@H](n2nncc2-c2cc(-c3ccccc3)sc2C(=O)[O-])CC1 ZINC000101916035 222286925 /nfs/dbraw/zinc/28/69/25/222286925.db2.gz RKUUHFVPWHELPT-OTVXOJSOSA-N -1 0 367.474 5.123 1 0 FKAFRM C[C@H]1CC[C@H](c2nocc2-c2cc(-c3ccccc3)sc2C(=O)[O-])CC1 ZINC000102137639 209233650 /nfs/dbraw/zinc/23/36/50/209233650.db2.gz PPPOJTSWNHXDGM-OTVXOJSOSA-N -1 0 367.470 6.062 1 0 FKAFRM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1[S-] ZINC000102173604 222291214 /nfs/dbraw/zinc/29/12/14/222291214.db2.gz LBWCJPOMUSUYBQ-UHFFFAOYSA-N -1 0 371.767 5.274 1 0 FKAFRM CC/C=C\CCCCCCCCC/C=C\CCCCCCCC(=O)[O-] ZINC000103227494 209249832 /nfs/dbraw/zinc/24/98/32/209249832.db2.gz WUFNGRHMSMIHAC-GEUUWGDVSA-N -1 0 350.587 7.835 1 0 FKAFRM O=C([O-])c1cc(-c2ccccc2COc2cccc3ccccc32)ccc1O ZINC000103239711 222328271 /nfs/dbraw/zinc/32/82/71/222328271.db2.gz ZWAOIWQNUZPWCR-UHFFFAOYSA-N -1 0 370.404 5.490 1 0 FKAFRM Cc1c(CCCC(=O)[O-])c2ccccc2n1Cc1ccc(O)c(C(C)C)c1 ZINC000103239845 222328233 /nfs/dbraw/zinc/32/82/33/222328233.db2.gz PYFRUYFQSHPGDE-UHFFFAOYSA-N -1 0 365.473 5.234 1 0 FKAFRM Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)[O-])s2)c1-c1ccccc1 ZINC000103249877 205989855 /nfs/dbraw/zinc/98/98/55/205989855.db2.gz NSYLJLBUTSTMFP-UHFFFAOYSA-N -1 0 360.438 5.274 1 0 FKAFRM CCCCCCc1cc2cc(Cl)ccc2n1C(=O)C[C@@H](C)CC(=O)[O-] ZINC000103270851 222330411 /nfs/dbraw/zinc/33/04/11/222330411.db2.gz LDXKYWAZGKIBOG-CQSZACIVSA-N -1 0 363.885 5.559 1 0 FKAFRM CCCCCCc1cc2cc(Cl)ccc2n1C(=O)C[C@H](C)CC(=O)[O-] ZINC000103270855 209251151 /nfs/dbraw/zinc/25/11/51/209251151.db2.gz LDXKYWAZGKIBOG-AWEZNQCLSA-N -1 0 363.885 5.559 1 0 FKAFRM CCCCCCc1c(C(=O)CCCC(=O)[O-])c2cc(Cl)ccc2n1C ZINC000103270870 222330078 /nfs/dbraw/zinc/33/00/78/222330078.db2.gz RUPANNZJCPJLPO-UHFFFAOYSA-N -1 0 363.885 5.392 1 0 FKAFRM Cc1ccc(Nc2ccc3c(c2)nc(-c2ccccc2)cc3C(=O)[O-])cc1 ZINC000103292394 209251874 /nfs/dbraw/zinc/25/18/74/209251874.db2.gz KSNDYJVIBQYADE-UHFFFAOYSA-N -1 0 354.409 5.652 1 0 FKAFRM COc1ccc(Nc2ccc3c(c2)nc(-c2ccccc2)cc3C(=O)[O-])cc1 ZINC000103293764 222331446 /nfs/dbraw/zinc/33/14/46/222331446.db2.gz GRQSIRBBCIFQDW-UHFFFAOYSA-N -1 0 370.408 5.352 1 0 FKAFRM O=C([O-])c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F ZINC000103297017 209252413 /nfs/dbraw/zinc/25/24/13/209252413.db2.gz SDPBFKBYZUOGDA-UHFFFAOYSA-N -1 0 360.747 5.122 1 0 FKAFRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930218 206103709 /nfs/dbraw/zinc/10/37/09/206103709.db2.gz AZFLHSKQKSZOET-AOUCNHLBSA-N -1 0 374.565 5.283 1 0 FKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930220 206104274 /nfs/dbraw/zinc/10/42/74/206104274.db2.gz AZFLHSKQKSZOET-XBESLWPFSA-N -1 0 374.565 5.283 1 0 FKAFRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930221 206103120 /nfs/dbraw/zinc/10/31/20/206103120.db2.gz AZFLHSKQKSZOET-IAHJDQBVSA-N -1 0 374.565 5.283 1 0 FKAFRM C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930229 222513434 /nfs/dbraw/zinc/51/34/34/222513434.db2.gz AZFLHSKQKSZOET-LFYYPNPWSA-N -1 0 374.565 5.283 1 0 FKAFRM CCC[C@H](Sc1ccc(C(=O)[O-])nc1)c1cccc(C(F)(F)F)c1 ZINC000139269948 206136465 /nfs/dbraw/zinc/13/64/65/206136465.db2.gz XKCWDXPEPCNLQF-HNNXBMFYSA-N -1 0 355.381 5.432 1 0 FKAFRM CCC[C@@H](Sc1ccc(C(=O)[O-])nc1)c1cccc(C(F)(F)F)c1 ZINC000139270069 206136193 /nfs/dbraw/zinc/13/61/93/206136193.db2.gz XKCWDXPEPCNLQF-OAHLLOKOSA-N -1 0 355.381 5.432 1 0 FKAFRM O=C([O-])c1cc(COc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)o1 ZINC000141285872 206135373 /nfs/dbraw/zinc/13/53/73/206135373.db2.gz SAGWNXBYZYNMDZ-UHFFFAOYSA-N -1 0 362.303 5.243 1 0 FKAFRM CCC/C=C\CSC[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000144989020 206140308 /nfs/dbraw/zinc/14/03/08/206140308.db2.gz QXBFRDGMYMBQMJ-PFCJTZRESA-N -1 0 352.540 5.071 1 0 FKAFRM CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C(=O)NCC(=O)[O-] ZINC000150374031 571851467 /nfs/dbraw/zinc/85/14/67/571851467.db2.gz ILSMDNVBZYGMDG-FHWLQOOXSA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)NCC(=O)[O-] ZINC000150374035 574419353 /nfs/dbraw/zinc/41/93/53/574419353.db2.gz ILSMDNVBZYGMDG-OTWHNJEPSA-N -1 0 355.563 5.262 1 0 endogenous,in-man FKAFRM CCCCC[C@@](C)(Sc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)[O-] ZINC000167548043 206248220 /nfs/dbraw/zinc/24/82/20/206248220.db2.gz YWXLRVPPDFXNCL-JOCHJYFZSA-N -1 0 364.595 6.797 1 0 FKAFRM CCCC(C)(C)C[C@H](O)C=C=C1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000169316733 209518013 /nfs/dbraw/zinc/51/80/13/209518013.db2.gz RYKRRSCKDGEDCL-CDDDFZJFSA-N -1 0 364.526 5.050 1 0 FKAFRM CCCC[C@@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000169321117 206249931 /nfs/dbraw/zinc/24/99/31/206249931.db2.gz VSSXHHCZDNVHRM-OAQYLSRUSA-N -1 0 366.567 6.113 1 0 FKAFRM CCCC[C@](C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000169321119 222560909 /nfs/dbraw/zinc/56/09/09/222560909.db2.gz VSSXHHCZDNVHRM-NRFANRHFSA-N -1 0 366.567 6.113 1 0 FKAFRM O=C([O-])c1cccc(Cc2c[nH]c3cc(-c4ccc5cc[nH]c5c4)ccc23)c1 ZINC000169348539 206253960 /nfs/dbraw/zinc/25/39/60/206253960.db2.gz JPWLMUCXXLFQGI-UHFFFAOYSA-N -1 0 366.420 5.605 1 0 FKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C/C(C)=C\C(=O)N[C@@H](C)C(=O)[O-] ZINC000169358523 206253229 /nfs/dbraw/zinc/25/32/29/206253229.db2.gz JSNAKIATBRGNKG-JPCAVTNISA-N -1 0 371.521 5.107 1 0 FKAFRM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C/C(C)=C\C(=O)N[C@H](C)C(=O)[O-] ZINC000169358524 206253422 /nfs/dbraw/zinc/25/34/22/206253422.db2.gz JSNAKIATBRGNKG-SOKXVDGCSA-N -1 0 371.521 5.107 1 0 FKAFRM CC/C=C/[C@@H](CC)C/C(=C/[C@](O)(CC)C[C@@](O)(/C=C/C(=O)[O-])CC)CC ZINC000169370075 206254424 /nfs/dbraw/zinc/25/44/24/206254424.db2.gz LSVMTGUPGAJFCN-BPBDJYSQSA-N -1 0 366.542 5.018 1 0 FKAFRM CC/C=C/[C@H](CC)C/C(=C/[C@](O)(CC)C[C@@](O)(/C=C/C(=O)[O-])CC)CC ZINC000169370076 206255323 /nfs/dbraw/zinc/25/53/23/206255323.db2.gz LSVMTGUPGAJFCN-OHGOUMFDSA-N -1 0 366.542 5.018 1 0 FKAFRM CC/C=C\CCSC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000169728562 206255430 /nfs/dbraw/zinc/25/54/30/206255430.db2.gz YDJGESKTURUXSO-CLUGSSEWSA-N -1 0 352.540 5.071 1 0 FKAFRM Cc1ccc(-c2c3c(nc(C)c2CC(=O)[O-])sc2c3CCCC2)cc1 ZINC000003344821 204093595 /nfs/dbraw/zinc/09/35/95/204093595.db2.gz RMFCWQIBAWKWIU-UHFFFAOYSA-N -1 0 351.471 5.086 3 0 FKAFRM CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000066124238 221242517 /nfs/dbraw/zinc/24/25/17/221242517.db2.gz OEPGZWSBBHNYFS-UHFFFAOYSA-N -1 0 366.244 5.241 3 0 FKAFRM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000118913785 222512628 /nfs/dbraw/zinc/51/26/28/222512628.db2.gz KGXLWYQCBAUILI-OPTMKGCMSA-N -1 0 372.549 5.491 3 0 in-vitro FKAFRM