smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1ccccc1)N(C(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000641888 263141354 /nfs/dbraw/zinc/14/13/54/263141354.db2.gz NCYIVOVUPRJYNJ-HDICACEKSA-N -1 0 373.452 5.349 10 0 FKAERM O=c1[nH]c2cc(Cl)ccc2c([O-])c1-c1cccc(Oc2ccsc2)c1 ZINC000000837962 219328905 /nfs/dbraw/zinc/32/89/05/219328905.db2.gz ASDUOZQLLPOESZ-UHFFFAOYSA-N -1 0 369.829 5.408 10 0 FKAERM CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-] ZINC000001550770 571137195 /nfs/dbraw/zinc/13/71/95/571137195.db2.gz BOOOLEGQBVUTKC-NVQSDHBMSA-N -1 0 352.518 5.900 10 0 investigational FKAERM O=C([O-])c1cc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2[nH]1 ZINC000001598247 210226251 /nfs/dbraw/zinc/22/62/51/210226251.db2.gz TYUJHLDUESKKPZ-UHFFFAOYSA-N -1 0 373.408 5.024 10 0 FKAERM O=C([O-])Cc1ccccc1Oc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000002021286 210376647 /nfs/dbraw/zinc/37/66/47/210376647.db2.gz GHGPBRILEYTPSN-UHFFFAOYSA-N -1 0 366.027 5.720 10 0 FKAERM COc1ccc(/C(=C/c2c3ccccc3oc2C(=O)[O-])c2ccccc2)cc1 ZINC000002022804 210377033 /nfs/dbraw/zinc/37/70/33/210377033.db2.gz DWNQCEQPNYHSJX-HMMYKYKNSA-N -1 0 370.404 5.729 10 0 FKAERM Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000002047004 204024998 /nfs/dbraw/zinc/02/49/98/204024998.db2.gz WYKKHJQZENLZID-UHFFFAOYSA-N -1 0 357.384 5.715 10 0 in-vivo FKAERM CC(C)OP([O-])(=NC(=O)Nc1cc(Cl)cc(Cl)c1)OC(C)C ZINC000002243751 204030531 /nfs/dbraw/zinc/03/05/31/204030531.db2.gz KLOSTOLOACOAPI-UHFFFAOYSA-N -1 0 369.185 5.073 10 0 FKAERM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000002541768 204044397 /nfs/dbraw/zinc/04/43/97/204044397.db2.gz JKXBGADLGDOBSJ-HNNXBMFYSA-N -1 0 369.461 5.038 10 0 FKAERM O=C([O-])c1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000003020466 206231923 /nfs/dbraw/zinc/23/19/23/206231923.db2.gz PBXDCCWWPANSTL-UHFFFAOYSA-N -1 0 366.225 5.159 10 0 FKAERM O=C([O-])CCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1 ZINC000003650522 210228743 /nfs/dbraw/zinc/22/87/43/210228743.db2.gz OSPPPXTYVGQLGE-UHFFFAOYSA-N -1 0 362.212 5.333 10 0 FKAERM O=C([O-])c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc21 ZINC000003796683 581101621 /nfs/dbraw/zinc/10/16/21/581101621.db2.gz HVOMQBZOFIMPOL-UHFFFAOYSA-N -1 0 359.356 5.112 10 0 FKAERM CCCOc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1OCC ZINC000004227645 219556513 /nfs/dbraw/zinc/55/65/13/219556513.db2.gz VDLZJOXZPDELNZ-UHFFFAOYSA-N -1 0 365.429 5.096 10 0 FKAERM CCCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1OCC ZINC000004227691 204128926 /nfs/dbraw/zinc/12/89/26/204128926.db2.gz IORXAJUQLXTXOH-UHFFFAOYSA-N -1 0 365.429 5.096 10 0 FKAERM CCOc1ccc2ccccc2c1-c1cc(C(=O)[O-])c2cc(C)ccc2n1 ZINC000004227698 204128295 /nfs/dbraw/zinc/12/82/95/204128295.db2.gz LYXGDDDIAOYGIB-UHFFFAOYSA-N -1 0 357.409 5.460 10 0 FKAERM CCCCCOc1ccc(-c2cc(C(=O)[O-])c3cccc(OC)c3n2)cc1 ZINC000004227752 204128212 /nfs/dbraw/zinc/12/82/12/204128212.db2.gz BUHQPYUJXJGWSO-UHFFFAOYSA-N -1 0 365.429 5.178 10 0 FKAERM CCOc1ccc2ccccc2c1-c1cc(C(=O)[O-])c2cccc(OC)c2n1 ZINC000004227753 207008269 /nfs/dbraw/zinc/00/82/69/207008269.db2.gz JSAWXVGJJRBQTN-UHFFFAOYSA-N -1 0 373.408 5.161 10 0 FKAERM CC(C)(C)c1ccc(Oc2coc3cc([O-])ccc3c2=O)c(C(C)(C)C)c1 ZINC000004227862 207008042 /nfs/dbraw/zinc/00/80/42/207008042.db2.gz UCCBMVNNIVURHK-UHFFFAOYSA-N -1 0 366.457 5.886 10 0 FKAERM O=c1c(Oc2c(Cl)cc(Cl)cc2Cl)coc2cc([O-])ccc12 ZINC000004227866 207007556 /nfs/dbraw/zinc/00/75/56/207007556.db2.gz XIOPFWXSYMGGQU-UHFFFAOYSA-N -1 0 357.576 5.251 10 0 FKAERM Cc1cc(Cl)ccc1Oc1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000004227870 204128887 /nfs/dbraw/zinc/12/88/87/204128887.db2.gz XUQVLKCMFVTKPE-UHFFFAOYSA-N -1 0 370.710 5.272 10 0 FKAERM Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1C ZINC000004227875 207008059 /nfs/dbraw/zinc/00/80/59/207008059.db2.gz VXEILSMWBUTOQN-UHFFFAOYSA-N -1 0 364.319 5.235 10 0 FKAERM CCc1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)c(C(C)(C)C)c1 ZINC000004227882 204128820 /nfs/dbraw/zinc/12/88/20/204128820.db2.gz ANSDWQHRGCUEPC-UHFFFAOYSA-N -1 0 352.430 5.459 10 0 FKAERM Cc1ccc(-c2ccc(Oc3c(C)oc4cc([O-])ccc4c3=O)cc2)cc1 ZINC000004227926 204129207 /nfs/dbraw/zinc/12/92/07/204129207.db2.gz XYBVKCIOSPPROB-UHFFFAOYSA-N -1 0 358.393 5.575 10 0 FKAERM COc1ccc2nc([N-]c3nc4ccc(SC)cc4s3)sc2c1 ZINC000005122697 204192924 /nfs/dbraw/zinc/19/29/24/204192924.db2.gz WWRGHCYCFVJDJL-UHFFFAOYSA-N -1 0 359.501 5.380 10 0 FKAERM COc1cccc2sc([N-]c3nc4c(cccc4SC)s3)nc21 ZINC000005122700 207082118 /nfs/dbraw/zinc/08/21/18/207082118.db2.gz NOJCLWAMJLRBOI-UHFFFAOYSA-N -1 0 359.501 5.380 10 0 FKAERM COc1cccc2sc([N-]c3nc4ccc(SC)cc4s3)nc21 ZINC000005122701 204192589 /nfs/dbraw/zinc/19/25/89/204192589.db2.gz HUVBRUNFWKHTKB-UHFFFAOYSA-N -1 0 359.501 5.380 10 0 FKAERM Cc1c2ccccc2n(CCCCCCCC(=O)[O-])c1-c1cccnc1 ZINC000005159798 219656972 /nfs/dbraw/zinc/65/69/72/219656972.db2.gz CVVKIXNPXDBREE-UHFFFAOYSA-N -1 0 350.462 5.437 10 0 FKAERM O=C([O-])C[C@@H]1CCC[C@@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@H]21 ZINC000005161861 560201135 /nfs/dbraw/zinc/20/11/35/560201135.db2.gz USFMJLOJQLMDAA-OXTHUFEASA-N -1 0 373.855 5.226 10 0 in-vitro FKAERM O=C([O-])C[C@@H]1CCC[C@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@H]21 ZINC000005161862 560201069 /nfs/dbraw/zinc/20/10/69/560201069.db2.gz USFMJLOJQLMDAA-LFRPXUGBSA-N -1 0 373.855 5.226 10 0 in-vitro FKAERM CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2cccnc2)c(C(C)C)c1 ZINC000005259935 207090954 /nfs/dbraw/zinc/09/09/54/207090954.db2.gz YTFFEXQYTJQVTE-UHFFFAOYSA-N -1 0 360.523 5.253 10 0 FKAERM Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12 ZINC000005487960 210229007 /nfs/dbraw/zinc/22/90/07/210229007.db2.gz UJBNOYIQUYOQRJ-UHFFFAOYSA-N -1 0 354.711 5.146 10 0 FKAERM CCCC[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000005514581 207103645 /nfs/dbraw/zinc/10/36/45/207103645.db2.gz CQGSORMFKDTILR-INIZCTEOSA-N -1 0 352.540 5.723 10 0 FKAERM Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)sc1C(=O)[O-] ZINC000005592413 210630377 /nfs/dbraw/zinc/63/03/77/210630377.db2.gz HSFWMFDKLITFRA-UHFFFAOYSA-N -1 0 359.834 5.049 10 0 FKAERM CC(C)c1ccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)cc1 ZINC000005592474 204216823 /nfs/dbraw/zinc/21/68/23/204216823.db2.gz JREXJDDHJLTMFL-UHFFFAOYSA-N -1 0 367.470 5.140 10 0 FKAERM Cc1nc(-c2ccc(COc3cc(C)cc(C)c3)cc2)sc1C(=O)[O-] ZINC000005592507 204217795 /nfs/dbraw/zinc/21/77/95/204217795.db2.gz KPMJSTVIZCQEMA-UHFFFAOYSA-N -1 0 353.443 5.013 10 0 FKAERM Cc1nc(-c2ccc(COc3cccc(C)c3C)cc2)sc1C(=O)[O-] ZINC000005592509 207107279 /nfs/dbraw/zinc/10/72/79/207107279.db2.gz OVTKAUVTEAZPIW-UHFFFAOYSA-N -1 0 353.443 5.013 10 0 FKAERM Cc1nc(-c2ccc(COc3ccc(C)c(C)c3)cc2)sc1C(=O)[O-] ZINC000005592510 219690374 /nfs/dbraw/zinc/69/03/74/219690374.db2.gz BCRWFUAWUVYIKQ-UHFFFAOYSA-N -1 0 353.443 5.013 10 0 FKAERM Cc1nc(-c2ccc(COc3ccc(C)cc3C)cc2)sc1C(=O)[O-] ZINC000005592511 207108253 /nfs/dbraw/zinc/10/82/53/207108253.db2.gz VJIUABIWEFGLOH-UHFFFAOYSA-N -1 0 353.443 5.013 10 0 FKAERM Cc1nc(-c2ccc(COc3ccccc3Cl)cc2)sc1C(=O)[O-] ZINC000005592514 219690329 /nfs/dbraw/zinc/69/03/29/219690329.db2.gz MHUZBSCTTJZZLK-UHFFFAOYSA-N -1 0 359.834 5.049 10 0 FKAERM Cc1nc(-c2ccc(COc3ccc(C(C)C)cc3)cc2)sc1C(=O)[O-] ZINC000005592515 210630769 /nfs/dbraw/zinc/63/07/69/210630769.db2.gz DSMHAEBBHGDFLO-UHFFFAOYSA-N -1 0 367.470 5.519 10 0 FKAERM Cc1nc(-c2ccc(COc3c(C)ccc(C)c3C)cc2)sc1C(=O)[O-] ZINC000005592518 219690491 /nfs/dbraw/zinc/69/04/91/219690491.db2.gz PHYXEALBJMODTQ-UHFFFAOYSA-N -1 0 367.470 5.321 10 0 FKAERM Cc1nc(-c2ccc(COc3ccc(Cl)c(C)c3)cc2)sc1C(=O)[O-] ZINC000005592536 204217041 /nfs/dbraw/zinc/21/70/41/204217041.db2.gz WYDXUHVFEVRIJY-UHFFFAOYSA-N -1 0 373.861 5.358 10 0 FKAERM Cc1nc(-c2ccc(COc3ccc(Cl)cc3)cc2)sc1C(=O)[O-] ZINC000005592538 204217078 /nfs/dbraw/zinc/21/70/78/204217078.db2.gz GFZUZVYBPNERTP-UHFFFAOYSA-N -1 0 359.834 5.049 10 0 FKAERM Cc1nc(COc2ccc(C(C)(C)c3ccccc3)cc2)sc1C(=O)[O-] ZINC000005592648 204217113 /nfs/dbraw/zinc/21/71/13/204217113.db2.gz QCBGMUANNQYUAO-UHFFFAOYSA-N -1 0 367.470 5.055 10 0 FKAERM O=c1c(Cl)c(C(Cl)(Cl)Cl)[n-]c2c(Cl)cc(Cl)cc12 ZINC000005605840 204217649 /nfs/dbraw/zinc/21/76/49/204217649.db2.gz NJJNNEZNZSGKJQ-UHFFFAOYSA-N -1 0 365.858 5.727 10 0 FKAERM CC1(C)CCC(C)(C)c2cc3cc(-c4ccc(C(=O)[O-])cc4)ccc3cc21 ZINC000005762190 204225052 /nfs/dbraw/zinc/22/50/52/204225052.db2.gz KBUHKLGVLUHYJL-UHFFFAOYSA-N -1 0 358.481 6.554 10 0 FKAERM CC1(C)CCC(C)(C)c2cc(-c3ccc4cc(C(=O)[O-])ccc4c3)ccc21 ZINC000005762194 207115760 /nfs/dbraw/zinc/11/57/60/207115760.db2.gz UHFICAKXFHFOCN-UHFFFAOYSA-N -1 0 358.481 6.554 10 0 FKAERM O=C([O-])c1ccccc1Nc1cc(Cl)ccc1NC(=O)c1ccccc1 ZINC000005772640 219698371 /nfs/dbraw/zinc/69/83/71/219698371.db2.gz XPYCZQFJSNHONI-UHFFFAOYSA-N -1 0 366.804 5.034 10 0 FKAERM CCCCCC[C@@H](CCCCCCCCCCC(=O)[O-])O[C@@H](C)CO ZINC000005820455 207117421 /nfs/dbraw/zinc/11/74/21/207117421.db2.gz OURWLMNRUGYRSC-PMACEKPBSA-N -1 0 358.563 5.708 10 0 FKAERM CCCCCC[C@@H](CCCCCCCCCCC(=O)[O-])O[C@H](C)CO ZINC000005820456 207117641 /nfs/dbraw/zinc/11/76/41/207117641.db2.gz OURWLMNRUGYRSC-UXHICEINSA-N -1 0 358.563 5.708 10 0 FKAERM CCCCCC[C@H](CCCCCCCCCCC(=O)[O-])O[C@@H](C)CO ZINC000005820568 207117396 /nfs/dbraw/zinc/11/73/96/207117396.db2.gz OURWLMNRUGYRSC-VQTJNVASSA-N -1 0 358.563 5.708 10 0 FKAERM CCCCCC[C@H](CCCCCCCCCCC(=O)[O-])O[C@H](C)CO ZINC000005820569 207117351 /nfs/dbraw/zinc/11/73/51/207117351.db2.gz OURWLMNRUGYRSC-WOJBJXKFSA-N -1 0 358.563 5.708 10 0 FKAERM CCCCC[C@](C)(O)CC[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005820943 204227115 /nfs/dbraw/zinc/22/71/15/204227115.db2.gz JERCJPRNXXOPNI-OPYAIIAOSA-N -1 0 354.531 5.118 10 0 in-man FKAERM CCCCC[C@@](C)(O)CC[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005821059 204227561 /nfs/dbraw/zinc/22/75/61/204227561.db2.gz JERCJPRNXXOPNI-WAOWUJCRSA-N -1 0 354.531 5.118 10 0 in-man FKAERM Cc1ccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C(C)(C)C)C3)cc1 ZINC000006029711 207126861 /nfs/dbraw/zinc/12/68/61/207126861.db2.gz OLJLYZKDDUSVTD-CQSZACIVSA-N -1 0 371.502 5.158 10 0 FKAERM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C(C)(C)C)C3)c1 ZINC000006034576 204234724 /nfs/dbraw/zinc/23/47/24/204234724.db2.gz PCNSCBPCKJXMFZ-CQSZACIVSA-N -1 0 371.502 5.158 10 0 FKAERM Cc1cccc(C(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C(C)(C)C)C3)c1 ZINC000006034593 204234636 /nfs/dbraw/zinc/23/46/36/204234636.db2.gz PCNSCBPCKJXMFZ-AWEZNQCLSA-N -1 0 371.502 5.158 10 0 FKAERM 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]3CC[C@]12C ZINC000006036224 207126841 /nfs/dbraw/zinc/12/68/41/207126841.db2.gz KIQFUORWRVZTHT-LZQMWTLUSA-N -1 0 374.565 5.715 10 0 FKAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000006036226 207126533 /nfs/dbraw/zinc/12/65/33/207126533.db2.gz SXFVKYLIXKBAPY-LVVAJZGHSA-N -1 0 358.566 6.312 10 0 FKAERM Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cccc(Cl)c2c1C(=O)[O-] ZINC000006068948 210232103 /nfs/dbraw/zinc/23/21/03/210232103.db2.gz ALBQBKQVMVZCOP-UHFFFAOYSA-N -1 0 373.839 6.229 10 0 FKAERM O=C(c1[nH]c(Cl)c(Cl)c1Cl)c1cc(Cl)cc(Cl)c1[O-] ZINC000006091195 560205069 /nfs/dbraw/zinc/20/50/69/560205069.db2.gz IJODRMYZNYTFTC-UHFFFAOYSA-N -1 0 359.423 5.218 10 0 in-vitro FKAERM CCOc1cc(/C=C\C(=O)[O-])ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000006234121 219721343 /nfs/dbraw/zinc/72/13/43/219721343.db2.gz KCIZJZMPDKEYJR-LCYFTJDESA-N -1 0 354.446 5.060 10 0 FKAERM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1cccc(Cl)c1)N2 ZINC000006804228 206243068 /nfs/dbraw/zinc/24/30/68/206243068.db2.gz JSDSWYFAEKEBDJ-CBBVRRJISA-N -1 0 353.849 5.335 10 0 FKAERM O=C([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1cccc(Cl)c1)N2 ZINC000006804229 206243417 /nfs/dbraw/zinc/24/34/17/206243417.db2.gz JSDSWYFAEKEBDJ-RMXLQIEMSA-N -1 0 353.849 5.335 10 0 FKAERM O=C([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000006804230 206242832 /nfs/dbraw/zinc/24/28/32/206242832.db2.gz JSDSWYFAEKEBDJ-MSICBTANSA-N -1 0 353.849 5.335 10 0 FKAERM CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCC(=O)[O-] ZINC000008860421 219870940 /nfs/dbraw/zinc/87/09/40/219870940.db2.gz YGFYZZQGVSUXJE-HZJYTTRNSA-N -1 0 365.558 5.781 10 0 FKAERM CC(C)=CCC/C(C)=C\CC/C(C)=C/CSc1ccccc1C(=O)[O-] ZINC000009227019 207262655 /nfs/dbraw/zinc/26/26/55/207262655.db2.gz WUILNKCFCLNXOK-WQDROVKFSA-N -1 0 358.547 6.896 10 0 FKAERM CSc1cccc2sc([N-]c3nnc(-c4ccc(Cl)cc4)o3)nc21 ZINC000010069047 204389875 /nfs/dbraw/zinc/38/98/75/204389875.db2.gz ZHCRZLQUSDWXQA-UHFFFAOYSA-N -1 0 374.878 5.465 10 0 FKAERM CSc1ccc2nc([N-]c3nnc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000010069048 207293400 /nfs/dbraw/zinc/29/34/00/207293400.db2.gz PUOIYTJLXIMYKN-UHFFFAOYSA-N -1 0 374.878 5.465 10 0 FKAERM Cc1ccc2nc(-c3ccccc3)c(N3CCCCCC3)c(C(=O)[O-])c2c1 ZINC000011850063 204418284 /nfs/dbraw/zinc/41/82/84/204418284.db2.gz RFFGPLYWVORSRN-UHFFFAOYSA-N -1 0 360.457 5.289 10 0 FKAERM O=C([O-])c1c2cc(Cl)ccc2nc(-c2ccccc2)c1N1CCCCC1 ZINC000011850096 132851327 /nfs/dbraw/zinc/85/13/27/132851327.db2.gz WWZWRROXUUGFCZ-UHFFFAOYSA-N -1 0 366.848 5.244 10 0 FKAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N2CCC(C)CC2)cc1 ZINC000011850106 132851356 /nfs/dbraw/zinc/85/13/56/132851356.db2.gz ZYADZEYAJPBNNN-UHFFFAOYSA-N -1 0 360.457 5.145 10 0 FKAERM Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)[O-])c2N2CCCCC2)cc1 ZINC000011850114 132851152 /nfs/dbraw/zinc/85/11/52/132851152.db2.gz QDONEFISLSLDOP-UHFFFAOYSA-N -1 0 360.457 5.207 10 0 FKAERM Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)[O-])c2N2CCCCCC2)cc1 ZINC000011850117 207325821 /nfs/dbraw/zinc/32/58/21/207325821.db2.gz GOCDTVHVZBFGPM-UHFFFAOYSA-N -1 0 374.484 5.597 10 0 FKAERM Cc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2N2CCC(C)CC2)cc1 ZINC000011850124 132851319 /nfs/dbraw/zinc/85/13/19/132851319.db2.gz XEPKYZZKNGDFPM-UHFFFAOYSA-N -1 0 374.484 5.453 10 0 FKAERM Cc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2N2CCCCCC2)cc1 ZINC000011850126 207325985 /nfs/dbraw/zinc/32/59/85/207325985.db2.gz BNBRBLCYXWAKPF-UHFFFAOYSA-N -1 0 374.484 5.597 10 0 FKAERM Cc1cc(C)n(-c2c(-c3ccc(C)cc3)nc3c(C)cccc3c2C(=O)[O-])n1 ZINC000011850128 204418409 /nfs/dbraw/zinc/41/84/09/204418409.db2.gz LJPDNUFMJMUXJG-UHFFFAOYSA-N -1 0 371.440 5.019 10 0 FKAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N2CCC(C)CC2)c(C)c1 ZINC000011850160 132851125 /nfs/dbraw/zinc/85/11/25/132851125.db2.gz GWFFLQWSTPLWHV-UHFFFAOYSA-N -1 0 374.484 5.453 10 0 FKAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N2CCCCCC2)c(C)c1 ZINC000011850162 207326234 /nfs/dbraw/zinc/32/62/34/207326234.db2.gz WZISUKDZKYXCFO-UHFFFAOYSA-N -1 0 374.484 5.597 10 0 FKAERM Cc1cc(C)n(-c2c(-c3ccc(C)cc3C)nc3ccccc3c2C(=O)[O-])n1 ZINC000011850164 207325182 /nfs/dbraw/zinc/32/51/82/207325182.db2.gz LQHRSWVRORZWRN-UHFFFAOYSA-N -1 0 371.440 5.019 10 0 FKAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N2CCCCCC2)cc1C ZINC000011850171 207325646 /nfs/dbraw/zinc/32/56/46/207325646.db2.gz PVMXSQODEWFNER-UHFFFAOYSA-N -1 0 374.484 5.597 10 0 FKAERM Cc1cc(C)n(-c2c(-c3ccc(C)c(C)c3)nc3ccccc3c2C(=O)[O-])n1 ZINC000011850173 207325403 /nfs/dbraw/zinc/32/54/03/207325403.db2.gz NJBSBMSFRICYBR-UHFFFAOYSA-N -1 0 371.440 5.019 10 0 FKAERM CCN(CC)c1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)[O-] ZINC000011850184 207325493 /nfs/dbraw/zinc/32/54/93/207325493.db2.gz ADKGQBWUENZVGA-UHFFFAOYSA-N -1 0 354.837 5.100 10 0 FKAERM O=C([O-])c1c2ccccc2nc(-c2ccc(Cl)cc2)c1N1CCCCC1 ZINC000011850186 132851140 /nfs/dbraw/zinc/85/11/40/132851140.db2.gz CQYPLVWIFFOZEG-UHFFFAOYSA-N -1 0 366.848 5.244 10 0 FKAERM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1cccc2ccccc21 ZINC000011948952 206704940 /nfs/dbraw/zinc/70/49/40/206704940.db2.gz QOLPKRSGJMMYPB-MDZDMXLPSA-N -1 0 368.816 5.179 10 0 FKAERM CCCCCc1cc2c(c(O)c1C(=O)[O-])C=C[C@@](C)(CCC=C(C)C)O2 ZINC000013382956 560216016 /nfs/dbraw/zinc/21/60/16/560216016.db2.gz HRHJHXJQMNWQTF-JOCHJYFZSA-N -1 0 358.478 5.734 10 0 biogenic,in-vitro FKAERM CCCCCc1cc2c(c(O)c1C(=O)[O-])-c1cc(C)ccc1C(C)(C)O2 ZINC000013383015 220066211 /nfs/dbraw/zinc/06/62/11/220066211.db2.gz KXKOBIRSQLNUPS-UHFFFAOYSA-N -1 0 354.446 5.426 10 0 biogenic,in-vitro FKAERM CC(C)c1cc(Oc2c(Cl)cc(CCC(=O)[O-])cc2Cl)ccc1O ZINC000013517891 211037643 /nfs/dbraw/zinc/03/76/43/211037643.db2.gz FKBQYOTZXSTGOY-UHFFFAOYSA-N -1 0 369.244 5.632 10 0 FKAERM O=C([O-])C[C@H]1CCCc2c3cc(F)ccc3n(Cc3ccc(Cl)cc3)c21 ZINC000013649923 204541953 /nfs/dbraw/zinc/54/19/53/204541953.db2.gz LHJWQVJJSYPRIX-CQSZACIVSA-N -1 0 371.839 5.377 10 0 in-vivo FKAERM CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC(=O)[O-])n2C1 ZINC000013737367 206803817 /nfs/dbraw/zinc/80/38/17/206803817.db2.gz TUUOQYCXIVGFBS-UHFFFAOYSA-N -1 0 363.432 5.171 10 0 FKAERM O=C([O-])c1ccc(C(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000013740017 220092444 /nfs/dbraw/zinc/09/24/44/220092444.db2.gz GWUYLVYFOIXRPU-UHFFFAOYSA-N -1 0 371.219 5.590 10 0 FKAERM C/C(=C\c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013742306 210233955 /nfs/dbraw/zinc/23/39/55/210233955.db2.gz GAZWXMUOJOGOHH-RVDMUPIBSA-N -1 0 363.501 5.998 10 0 FKAERM C/C(=C\c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013742307 581095034 /nfs/dbraw/zinc/09/50/34/581095034.db2.gz QPAMXNZWXFZISY-SDNWHVSQSA-N -1 0 368.542 6.664 10 0 FKAERM C/C(=C\c1csc(C(=O)[O-])c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C ZINC000013742308 210233359 /nfs/dbraw/zinc/23/33/59/210233359.db2.gz CKCBFSYZMMHVKT-NTEUORMPSA-N -1 0 368.542 6.664 10 0 FKAERM Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013758055 581092338 /nfs/dbraw/zinc/09/23/38/581092338.db2.gz MJSSDXRYTKYCRW-UHFFFAOYSA-N -1 0 354.515 6.193 10 0 FKAERM Cc1cc2c(cc1[S@@](=O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013758056 220093216 /nfs/dbraw/zinc/09/32/16/220093216.db2.gz OHQAFFBBAIJBPR-AREMUKBSSA-N -1 0 370.514 5.209 10 0 FKAERM Cc1cc2c(cc1[S@](=O)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C ZINC000013758059 211058465 /nfs/dbraw/zinc/05/84/65/211058465.db2.gz OHQAFFBBAIJBPR-SANMLTNESA-N -1 0 370.514 5.209 10 0 FKAERM Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cn1)C(C)(C)CCC2(C)C ZINC000013758065 581092397 /nfs/dbraw/zinc/09/23/97/581092397.db2.gz PMHYUNDXKUCCIA-UHFFFAOYSA-N -1 0 355.503 5.588 10 0 FKAERM CC1(C)CCC(C)(C)c2cc3cc(-c4cc(C(=O)[O-])cs4)ccc3cc21 ZINC000013815318 220095321 /nfs/dbraw/zinc/09/53/21/220095321.db2.gz URUSABQSUCBGGJ-UHFFFAOYSA-N -1 0 364.510 6.616 10 0 in-vitro FKAERM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C ZINC000014255328 571271966 /nfs/dbraw/zinc/27/19/66/571271966.db2.gz BGOGEXNOQWPENG-UHFFFAOYSA-N -1 0 364.681 5.064 10 0 FKAERM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000014255452 220120820 /nfs/dbraw/zinc/12/08/20/220120820.db2.gz DXERVECISWSEOG-UHFFFAOYSA-N -1 0 364.681 5.064 10 0 FKAERM CCCCCc1cc(O)c2c(c1C(=O)[O-])OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000014722873 220130467 /nfs/dbraw/zinc/13/04/67/220130467.db2.gz VITZNDKHSIWPSR-HZPDHXFCSA-N -1 0 358.478 5.434 10 0 FKAERM CC(C)=CCC/C(C)=C/COc1cc([O-])c(C(=O)c2ccccc2)c(O)c1 ZINC000014775917 210233661 /nfs/dbraw/zinc/23/36/61/210233661.db2.gz CPWFSCYLMXLCDK-SFQUDFHCSA-N -1 0 366.457 5.400 10 0 FKAERM CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c([O-])c2c1OC(C)(C)C=C2 ZINC000014883284 210234535 /nfs/dbraw/zinc/23/45/35/210234535.db2.gz SPMYLENUNIKPSS-UHFFFAOYSA-N -1 0 364.441 5.022 10 0 FKAERM O=C([O-])C[C@@H]1CCC[C@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@@H]21 ZINC000014951604 560227529 /nfs/dbraw/zinc/22/75/29/560227529.db2.gz USFMJLOJQLMDAA-XXHMAFKTSA-N -1 0 373.855 5.226 10 0 in-vitro FKAERM O=C([O-])C[C@@H]1CCC[C@@H]2c3cc(F)ccc3N(Cc3ccc(Cl)cc3)[C@@H]21 ZINC000014951612 560227604 /nfs/dbraw/zinc/22/76/04/560227604.db2.gz USFMJLOJQLMDAA-AVBTWRTFSA-N -1 0 373.855 5.226 10 0 in-vitro FKAERM CCCCCc1oc(CCCCCCCCCCC(=O)[O-])c(C)c1C ZINC000015120898 571732391 /nfs/dbraw/zinc/73/23/91/571732391.db2.gz MCTXSZNBSIMKTO-UHFFFAOYSA-N -1 0 350.543 6.767 10 0 endogenous,in-man FKAERM CCc1ccc(-c2c3cnc4ccc(F)cc4c3sc2C(=O)[O-])cc1 ZINC000015828935 220166573 /nfs/dbraw/zinc/16/65/73/220166573.db2.gz FCPLKMHSQDGMPM-UHFFFAOYSA-N -1 0 351.402 5.516 10 0 FKAERM Cc1sc2nc(C)nc(NCCCCCC(=O)[O-])c2c1-c1ccccc1 ZINC000020316441 211274732 /nfs/dbraw/zinc/27/47/32/211274732.db2.gz BYRZNEIOTIWIBJ-UHFFFAOYSA-N -1 0 369.490 5.032 10 0 FKAERM Cc1ccc(C(=O)[O-])cc1Nc1ncnc2scc(-c3ccccc3)c21 ZINC000020326425 204720471 /nfs/dbraw/zinc/72/04/71/204720471.db2.gz UCGOPEUSRGJCOC-UHFFFAOYSA-N -1 0 361.426 5.109 10 0 FKAERM Cc1nc2scc(-c3ccccc3)c2c(Nc2cccc(C(=O)[O-])c2)n1 ZINC000020326833 220323094 /nfs/dbraw/zinc/32/30/94/220323094.db2.gz IPWQRWFEAKUKFQ-UHFFFAOYSA-N -1 0 361.426 5.109 10 0 FKAERM Cc1nc2scc(-c3ccccc3)c2c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000020326845 211275905 /nfs/dbraw/zinc/27/59/05/211275905.db2.gz TWYUUOQYTONNKC-UHFFFAOYSA-N -1 0 361.426 5.109 10 0 FKAERM Cc1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1C ZINC000020332845 209614521 /nfs/dbraw/zinc/61/45/21/209614521.db2.gz TYAWVWYCXGIQBH-GQCTYLIASA-N -1 0 370.257 5.022 10 0 FKAERM CCCCC1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC000020333484 206330651 /nfs/dbraw/zinc/33/06/51/206330651.db2.gz LSWSIVRUTPPPDA-UHFFFAOYSA-N -1 0 363.523 5.260 10 0 FKAERM Cc1ccc(/C=C/C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000020334072 211274990 /nfs/dbraw/zinc/27/49/90/211274990.db2.gz LAONYVQNEHJLRT-VAWYXSNFSA-N -1 0 363.438 5.074 10 0 FKAERM Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)[O-])cc1 ZINC000020334138 211275810 /nfs/dbraw/zinc/27/58/10/211275810.db2.gz DSCFUDCAICKHOV-UHFFFAOYSA-N -1 0 365.454 5.291 10 0 FKAERM Cc1ccc(-c2csc(NC(=O)Nc3ccccc3)c2C(=O)[O-])cc1 ZINC000020334157 211275404 /nfs/dbraw/zinc/27/54/04/211275404.db2.gz MBBUIBHKWHYDDO-UHFFFAOYSA-N -1 0 352.415 5.066 10 0 FKAERM Cc1ccc(-c2csc(NC(=O)CCC3CCCCC3)c2C(=O)[O-])cc1 ZINC000020334173 220321848 /nfs/dbraw/zinc/32/18/48/220321848.db2.gz PKPXOUNZAWWNFS-UHFFFAOYSA-N -1 0 371.502 5.721 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)c3ccccc3C)c2C(=O)[O-])cc1 ZINC000020334237 211274663 /nfs/dbraw/zinc/27/46/63/211274663.db2.gz AVZWUKKKVJIHMD-UHFFFAOYSA-N -1 0 365.454 5.236 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)[O-])cc1 ZINC000020334239 220321898 /nfs/dbraw/zinc/32/18/98/220321898.db2.gz YFNHTUMQRFONBT-UHFFFAOYSA-N -1 0 365.454 5.236 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)c3ccccc3F)c2C(=O)[O-])cc1 ZINC000020334245 211274885 /nfs/dbraw/zinc/27/48/85/211274885.db2.gz XHIQYXTZYMXUKB-UHFFFAOYSA-N -1 0 369.417 5.067 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)c2C(=O)[O-])cc1 ZINC000020334250 220323029 /nfs/dbraw/zinc/32/30/29/220323029.db2.gz KMMYOZONMRXCFH-UHFFFAOYSA-N -1 0 369.417 5.067 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)NC3CCCCC3)c2C(=O)[O-])cc1 ZINC000020334278 220322750 /nfs/dbraw/zinc/32/27/50/220322750.db2.gz RHXSPCSVAKJJIC-UHFFFAOYSA-N -1 0 372.490 5.130 10 0 FKAERM CCc1ccc(-c2csc(NC(=O)Nc3ccccc3)c2C(=O)[O-])cc1 ZINC000020334280 211275070 /nfs/dbraw/zinc/27/50/70/211275070.db2.gz RTELRWQJHCPKFN-UHFFFAOYSA-N -1 0 366.442 5.320 10 0 FKAERM CCC(CC)C(=O)Nc1scc(-c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC000020334312 204720686 /nfs/dbraw/zinc/72/06/86/204720686.db2.gz OIRCCJLXXPOQMI-UHFFFAOYSA-N -1 0 359.491 5.611 10 0 FKAERM CC(C)c1ccc(-c2csc(NC(=O)C3CCCCC3)c2C(=O)[O-])cc1 ZINC000020334320 211275749 /nfs/dbraw/zinc/27/57/49/211275749.db2.gz OGMBALYMILRIDD-UHFFFAOYSA-N -1 0 371.502 5.756 10 0 FKAERM CC(C)c1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)[O-])cc1 ZINC000020334329 204720419 /nfs/dbraw/zinc/72/04/19/204720419.db2.gz JOCFGPPQPLJRDM-UHFFFAOYSA-N -1 0 355.415 5.082 10 0 FKAERM CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3)c2C(=O)[O-])cc1 ZINC000020334332 220321633 /nfs/dbraw/zinc/32/16/33/220321633.db2.gz XIBYNJWYOXFAOH-UHFFFAOYSA-N -1 0 365.454 5.489 10 0 FKAERM Cc1sc(NC(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334428 220322682 /nfs/dbraw/zinc/32/26/82/220322682.db2.gz LSPRYBJAJACZPP-UHFFFAOYSA-N -1 0 365.454 5.291 10 0 FKAERM Cc1sc(NC(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334458 220322595 /nfs/dbraw/zinc/32/25/95/220322595.db2.gz MFYCWNGYEZDDPD-UHFFFAOYSA-N -1 0 371.845 5.327 10 0 FKAERM Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334461 211274409 /nfs/dbraw/zinc/27/44/09/211274409.db2.gz IHMDHYXFZDOXTL-UHFFFAOYSA-N -1 0 371.845 5.327 10 0 FKAERM Cc1sc(NC(=O)/C=C/c2ccccc2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334490 211275492 /nfs/dbraw/zinc/27/54/92/211275492.db2.gz VKYLPGIGFZGOTB-OUKQBFOZSA-N -1 0 363.438 5.074 10 0 FKAERM Cc1sc(NC(=O)C2CCCCC2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334527 211274607 /nfs/dbraw/zinc/27/46/07/211274607.db2.gz UXRQEWIACBLXRQ-UHFFFAOYSA-N -1 0 357.475 5.249 10 0 FKAERM Cc1sc(NC(=O)c2cccs2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334538 211275428 /nfs/dbraw/zinc/27/54/28/211275428.db2.gz TYDMFSHWOFFBCY-UHFFFAOYSA-N -1 0 357.456 5.044 10 0 FKAERM Cc1sc(NC(=O)c2ccccc2C)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334545 220322567 /nfs/dbraw/zinc/32/25/67/220322567.db2.gz APIKSWVZNGOZLT-UHFFFAOYSA-N -1 0 365.454 5.291 10 0 FKAERM Cc1sc(NC(=O)c2cccc(C)c2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334548 204720656 /nfs/dbraw/zinc/72/06/56/204720656.db2.gz NGEXZEABBUIGHQ-UHFFFAOYSA-N -1 0 365.454 5.291 10 0 FKAERM Cc1sc(NC(=O)c2ccccc2F)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334553 211274789 /nfs/dbraw/zinc/27/47/89/211274789.db2.gz CNHKXDRSBYFMOQ-UHFFFAOYSA-N -1 0 369.417 5.122 10 0 FKAERM Cc1sc(NC(=O)c2cccc(F)c2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334556 211274493 /nfs/dbraw/zinc/27/44/93/211274493.db2.gz AIDXRXARUNSFOR-UHFFFAOYSA-N -1 0 369.417 5.122 10 0 FKAERM Cc1sc(NC(=O)Nc2ccccc2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334591 204720216 /nfs/dbraw/zinc/72/02/16/204720216.db2.gz QPZSAOJRGGUHLM-UHFFFAOYSA-N -1 0 366.442 5.374 10 0 FKAERM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(Cl)cc1 ZINC000020335085 211275439 /nfs/dbraw/zinc/27/54/39/211275439.db2.gz UTFFUKQXCNXOJG-UHFFFAOYSA-N -1 0 372.833 5.411 10 0 FKAERM O=C([O-])c1cc(-c2ccccc2)sc1NC(=O)Nc1cccc(Cl)c1 ZINC000020335088 220322837 /nfs/dbraw/zinc/32/28/37/220322837.db2.gz VOQOJQLTBJWOEE-UHFFFAOYSA-N -1 0 372.833 5.411 10 0 FKAERM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)[O-])C1 ZINC000020335196 220321962 /nfs/dbraw/zinc/32/19/62/220321962.db2.gz QSJIVFCLKLHOBE-CYBMUJFWSA-N -1 0 363.523 5.116 10 0 FKAERM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(=O)[O-])C1 ZINC000020335198 211275292 /nfs/dbraw/zinc/27/52/92/211275292.db2.gz QSJIVFCLKLHOBE-ZDUSSCGKSA-N -1 0 363.523 5.116 10 0 FKAERM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(=O)[O-])C1 ZINC000020335237 220322343 /nfs/dbraw/zinc/32/23/43/220322343.db2.gz DOXAQIFHUXRNIM-LBPRGKRZSA-N -1 0 372.490 5.241 10 0 FKAERM CC(C)c1ccc(O[C@@](C)(Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000027527227 204863896 /nfs/dbraw/zinc/86/38/96/204863896.db2.gz XVEADQDIGADYQP-IBGZPJMESA-N -1 0 367.272 5.582 10 0 FKAERM CC(C)c1ccc(O[C@](C)(Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000027527228 211464605 /nfs/dbraw/zinc/46/46/05/211464605.db2.gz XVEADQDIGADYQP-LJQANCHMSA-N -1 0 367.272 5.582 10 0 FKAERM CCCC[C@@H](O)c1[nH]c2cc(C)c(C(=O)[O-])cc2c1CCc1ccccc1 ZINC000029037377 571035974 /nfs/dbraw/zinc/03/59/74/571035974.db2.gz CTHUKURTASAUTM-OAQYLSRUSA-N -1 0 365.473 5.183 10 0 in-vitro FKAERM CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)[O-])cc2c1CCc1ccccc1 ZINC000029037379 571036331 /nfs/dbraw/zinc/03/63/31/571036331.db2.gz CTHUKURTASAUTM-NRFANRHFSA-N -1 0 365.473 5.183 10 0 in-vitro FKAERM Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-] ZINC000029334546 581092428 /nfs/dbraw/zinc/09/24/28/581092428.db2.gz ODILYAYKQDDXJJ-UHFFFAOYSA-N -1 0 373.383 5.840 10 0 FKAERM O=C([O-])CCCCCCCCCCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000031541772 571352738 /nfs/dbraw/zinc/35/27/38/571352738.db2.gz MGTCSIXGLCFXSR-UHFFFAOYSA-N -1 0 370.415 6.006 10 0 in-vitro FKAERM O=C([O-])c1csc(SCc2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000032641811 203871114 /nfs/dbraw/zinc/87/11/14/203871114.db2.gz PKTLBNYYEYVVTN-UHFFFAOYSA-N -1 0 351.836 5.047 10 0 FKAERM Cc1cccc(-c2nc3ccc(C(=O)[O-])cc3nc2-c2cccc(C)c2)c1 ZINC000032917011 571060153 /nfs/dbraw/zinc/06/01/53/571060153.db2.gz KRDLHRACUBOIQI-UHFFFAOYSA-N -1 0 354.409 5.279 10 0 FKAERM CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)[O-])cccn21 ZINC000032918529 571060345 /nfs/dbraw/zinc/06/03/45/571060345.db2.gz ZKHGNNXVQNSYRM-UHFFFAOYSA-N -1 0 365.477 5.326 10 0 FKAERM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000033319478 206812279 /nfs/dbraw/zinc/81/22/79/206812279.db2.gz MTNAVQZPGXQKGS-NXVVXOECSA-N -1 0 366.420 5.304 10 0 FKAERM O=C([O-])/C=C\c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cn12 ZINC000033369309 208089025 /nfs/dbraw/zinc/08/90/25/208089025.db2.gz BFFPKEWJCZXIJH-QBFSEMIESA-N -1 0 374.827 5.420 10 0 FKAERM C[C@H](Oc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)C(=O)[O-] ZINC000033638378 208096398 /nfs/dbraw/zinc/09/63/98/208096398.db2.gz LALVAGJENPPKHC-NSHDSACASA-N -1 0 374.849 5.059 10 0 FKAERM C[C@@H](Oc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)C(=O)[O-] ZINC000033638380 204972267 /nfs/dbraw/zinc/97/22/67/204972267.db2.gz LALVAGJENPPKHC-LLVKDONJSA-N -1 0 374.849 5.059 10 0 FKAERM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000033820809 204974817 /nfs/dbraw/zinc/97/48/17/204974817.db2.gz FEGCPHIPSRBREU-HVATVPOCSA-N -1 0 374.565 5.283 10 0 FKAERM CC/C=C/C/C=C/C/C=C/CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000033954301 520196170 /nfs/dbraw/zinc/19/61/70/520196170.db2.gz MBYMHCHZLAJVRK-IUQGRGSQSA-N -1 0 370.533 6.832 10 0 FKAERM O=C([O-])CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(F)(F)F ZINC000033956080 208102989 /nfs/dbraw/zinc/10/29/89/208102989.db2.gz AFUVZRKWEHSOFO-AETUKWRVSA-N -1 0 358.444 6.759 10 0 FKAERM Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2Cl)n1CC(=O)[O-] ZINC000034095868 208103714 /nfs/dbraw/zinc/10/37/14/208103714.db2.gz VDGALQGVARKWPY-UHFFFAOYSA-N -1 0 366.269 5.492 10 0 FKAERM Cc1cc(-c2ccc3cc(-c4ccc(C(=O)[O-])cc4)[nH]c3c2F)ccc1F ZINC000034963170 210246106 /nfs/dbraw/zinc/24/61/06/210246106.db2.gz XDBBGJZBQWZDSM-UHFFFAOYSA-N -1 0 363.363 5.787 10 0 FKAERM Cc1c(-c2ccnc3cc(Cl)ccc32)c2cc(C)ccc2n1CC(=O)[O-] ZINC000036126913 205006395 /nfs/dbraw/zinc/00/63/95/205006395.db2.gz HDRZLWOQFMULDF-UHFFFAOYSA-N -1 0 364.832 5.211 10 0 FKAERM CC(=C\C(=O)[O-])/C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000036757753 581097039 /nfs/dbraw/zinc/09/70/39/581097039.db2.gz BOOOLEGQBVUTKC-HWDGMFLTSA-N -1 0 352.518 5.900 10 0 FKAERM CC(/C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000036757754 581097167 /nfs/dbraw/zinc/09/71/67/581097167.db2.gz BOOOLEGQBVUTKC-UCWLHJNJSA-N -1 0 352.518 5.900 10 0 FKAERM CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(=O)[O-] ZINC000036757755 581097558 /nfs/dbraw/zinc/09/75/58/581097558.db2.gz BOOOLEGQBVUTKC-VYIROHAESA-N -1 0 352.518 5.900 10 0 FKAERM O=C([O-])c1ccccc1N(Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000039123549 205045303 /nfs/dbraw/zinc/04/53/03/205045303.db2.gz PLICZSOSIDILQD-UHFFFAOYSA-N -1 0 371.358 5.742 10 0 FKAERM Cc1c2nc(Nc3cc(Cl)c([O-])c(Cl)c3)sc2c(C)c(O)c1C ZINC000039127698 205044110 /nfs/dbraw/zinc/04/41/10/205044110.db2.gz CWDFSGAHQWHXPL-UHFFFAOYSA-N -1 0 369.273 5.683 10 0 FKAERM O=C([O-])/C=C/c1cc(Br)c(-c2ccc(Cl)c(Cl)c2)o1 ZINC000040544952 571150379 /nfs/dbraw/zinc/15/03/79/571150379.db2.gz JIOYRLJJAURIFW-DUXPYHPUSA-N -1 0 362.006 5.114 10 0 FKAERM O=C([O-])/C=C/c1cc(Br)c(-c2cc(Cl)ccc2Cl)o1 ZINC000040545080 220909227 /nfs/dbraw/zinc/90/92/27/220909227.db2.gz JDKCIUDOTYNNRI-DUXPYHPUSA-N -1 0 362.006 5.114 10 0 FKAERM O=C([O-])/C=C/c1cc(Br)c(-c2cccc(Cl)c2Cl)o1 ZINC000040545529 571150451 /nfs/dbraw/zinc/15/04/51/571150451.db2.gz XBTNWMBXFCBOFN-SNAWJCMRSA-N -1 0 362.006 5.114 10 0 FKAERM O=C([O-])/C=C/c1cc(Br)c(-c2cc(Cl)cc(Cl)c2)o1 ZINC000040545641 571150412 /nfs/dbraw/zinc/15/04/12/571150412.db2.gz WMZXPJOGCCVHNL-OWOJBTEDSA-N -1 0 362.006 5.114 10 0 FKAERM [O-]c1c(Br)cc(/C=C/c2ccccc2)cc1Br ZINC000040836561 205082837 /nfs/dbraw/zinc/08/28/37/205082837.db2.gz WMVYUPRIADVLTH-VOTSOKGWSA-N -1 0 354.041 5.088 10 0 in-vivo FKAERM C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)[O-] ZINC000044222021 208312964 /nfs/dbraw/zinc/31/29/64/208312964.db2.gz QFWHHQMKIBIPNH-NBVRZTHBSA-N -1 0 374.436 5.333 10 0 FKAERM O=C([O-])c1ccccc1Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000045820301 205124752 /nfs/dbraw/zinc/12/47/52/205124752.db2.gz KITOUQLUXBQFFC-UHFFFAOYSA-N -1 0 351.016 5.742 10 0 FKAERM Cc1oc(-c2ccc(C(=O)[O-])cc2)nc1CSc1ccc(C(C)C)cc1 ZINC000049454344 205172126 /nfs/dbraw/zinc/17/21/26/205172126.db2.gz NNQVZKCUDOTIMM-UHFFFAOYSA-N -1 0 367.470 5.764 10 0 FKAERM CCc1ccc(SCc2nc(-c3ccc(C(=O)[O-])cc3)oc2C)cc1 ZINC000049454345 205171842 /nfs/dbraw/zinc/17/18/42/205171842.db2.gz RVRLXXBAUITUHN-UHFFFAOYSA-N -1 0 353.443 5.203 10 0 FKAERM CCc1ccccc1SCc1nc(-c2ccc(C(=O)[O-])cc2)oc1C ZINC000049454348 205171257 /nfs/dbraw/zinc/17/12/57/205171257.db2.gz MIMHXWISKZTAEZ-UHFFFAOYSA-N -1 0 353.443 5.203 10 0 FKAERM O=C([O-])c1cc(-c2ccccc2)c(N2CCSc3ccccc32)s1 ZINC000049454548 132953989 /nfs/dbraw/zinc/95/39/89/132953989.db2.gz AGOPMDJYQQNHBV-UHFFFAOYSA-N -1 0 353.468 5.357 10 0 FKAERM CC(C)(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1 ZINC000053993924 211922262 /nfs/dbraw/zinc/92/22/62/211922262.db2.gz DOIYLQJWXRVHHB-UHFFFAOYSA-N -1 0 369.461 5.541 10 0 FKAERM O=C([O-])c1cc2oc(-c3ccc(Cl)cc3)cc2n1Cc1ccccc1 ZINC000053994382 221049020 /nfs/dbraw/zinc/04/90/20/221049020.db2.gz RGBZKUQEWKHRRW-UHFFFAOYSA-N -1 0 351.789 5.301 10 0 FKAERM Cc1ccc(Cn2c(C(=O)[O-])cc3oc(-c4ccc(Cl)cc4)cc32)cc1 ZINC000053994383 205196265 /nfs/dbraw/zinc/19/62/65/205196265.db2.gz AMWSTTITKNVFKB-UHFFFAOYSA-N -1 0 365.816 5.610 10 0 FKAERM CC(C)(C)CC(C)(C)c1ccc(OCc2nc(CC(=O)[O-])cs2)cc1 ZINC000064872526 205308631 /nfs/dbraw/zinc/30/86/31/205308631.db2.gz JRYWVFMTFKVSRE-UHFFFAOYSA-N -1 0 361.507 5.063 10 0 FKAERM Cc1nc(COc2ccc(C(C)(C)CC(C)(C)C)cc2)sc1C(=O)[O-] ZINC000064872531 221155133 /nfs/dbraw/zinc/15/51/33/221155133.db2.gz GKLBWGOPCXWXQO-UHFFFAOYSA-N -1 0 361.507 5.443 10 0 FKAERM COc1ccc(C(F)(F)F)cc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000065355125 221200992 /nfs/dbraw/zinc/20/09/92/221200992.db2.gz ABTCBDWRFYIGEG-UHFFFAOYSA-N -1 0 364.241 5.098 10 0 FKAERM COc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000065355153 221200812 /nfs/dbraw/zinc/20/08/12/221200812.db2.gz KBKHRYCTTWUHTE-UHFFFAOYSA-N -1 0 364.241 5.098 10 0 FKAERM O=C([O-])c1cc(-c2ccccc2OCc2ccccc2)cc(C(F)(F)F)c1 ZINC000065355181 205338067 /nfs/dbraw/zinc/33/80/67/205338067.db2.gz AIJIAYWAFICILP-UHFFFAOYSA-N -1 0 372.342 5.650 10 0 FKAERM O=C([O-])c1cc(-c2ccc(OCc3ccccc3)cc2)cc(C(F)(F)F)c1 ZINC000065355237 205338794 /nfs/dbraw/zinc/33/87/94/205338794.db2.gz LENYTGLTKXFHQU-UHFFFAOYSA-N -1 0 372.342 5.650 10 0 FKAERM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@@H](O)CC2(C)C ZINC000065742807 570626170 /nfs/dbraw/zinc/62/61/70/570626170.db2.gz WTWGVKDCAJSUBZ-NRFANRHFSA-N -1 0 364.485 5.075 10 0 in-vitro FKAERM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@H](O)CC2(C)C ZINC000065742808 221235835 /nfs/dbraw/zinc/23/58/35/221235835.db2.gz WTWGVKDCAJSUBZ-OAQYLSRUSA-N -1 0 364.485 5.075 10 0 in-vitro FKAERM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)C[C@@H](O)C2(C)C ZINC000065742809 208693292 /nfs/dbraw/zinc/69/32/92/208693292.db2.gz ZXOXDVMWISJVGJ-OAQYLSRUSA-N -1 0 364.485 5.075 10 0 in-vitro FKAERM C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)C[C@H](O)C2(C)C ZINC000065742810 221235924 /nfs/dbraw/zinc/23/59/24/221235924.db2.gz ZXOXDVMWISJVGJ-NRFANRHFSA-N -1 0 364.485 5.075 10 0 in-vitro FKAERM CCCCC/C=C\CCCCCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000070455221 291087715 /nfs/dbraw/zinc/08/77/15/291087715.db2.gz QXBAIZZDGIOKAV-SREVYHEPSA-N -1 0 374.565 7.280 10 0 biogenic,in-vitro FKAERM Cc1[nH]c2cc(OC(F)(F)F)ccc2c1Sc1ccccc1C(=O)[O-] ZINC000071186533 221335994 /nfs/dbraw/zinc/33/59/94/221335994.db2.gz WYVLCXZKNOMSEX-UHFFFAOYSA-N -1 0 367.348 5.224 10 0 FKAERM Cc1ccc(Nc2nc(Nc3cccc(C(=O)[O-])c3)nc3ccccc32)cc1 ZINC000072260430 208827046 /nfs/dbraw/zinc/82/70/46/208827046.db2.gz NMLQAWBXARMTCP-UHFFFAOYSA-N -1 0 370.412 5.124 10 0 FKAERM O=C([O-])C1(CC(=O)N2CCCCCC2)CCCCCCCCCCC1 ZINC000073634849 221564174 /nfs/dbraw/zinc/56/41/74/221564174.db2.gz RJTBBQDBTXIMSO-UHFFFAOYSA-N -1 0 351.531 5.155 10 0 FKAERM O=C([O-])c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000073635390 208188713 /nfs/dbraw/zinc/18/87/13/208188713.db2.gz ZZLLITVVWACONU-UHFFFAOYSA-N -1 0 368.639 5.077 10 0 FKAERM CCCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2cccc(Cl)c2)n1 ZINC000073682744 208188358 /nfs/dbraw/zinc/18/83/58/208188358.db2.gz GWKRKRJPJOYHJP-UHFFFAOYSA-N -1 0 368.820 5.240 10 0 FKAERM CCc1nc(-c2cccc(Cl)c2)nc(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000073682762 221565519 /nfs/dbraw/zinc/56/55/19/221565519.db2.gz VFLAARWVMDMIGX-UHFFFAOYSA-N -1 0 368.820 5.158 10 0 FKAERM CCc1nc(-c2ccc(Cl)cc2)nc(Oc2ccc(C(=O)[O-])cc2)c1C ZINC000073682935 205033171 /nfs/dbraw/zinc/03/31/71/205033171.db2.gz LRTRVRDEXPPOPE-UHFFFAOYSA-N -1 0 368.820 5.158 10 0 FKAERM O=C([O-])c1ccc(Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000073683107 205032973 /nfs/dbraw/zinc/03/29/73/205032973.db2.gz RHOFSUJAPBPQOL-UHFFFAOYSA-N -1 0 367.408 5.252 10 0 FKAERM CC(C)c1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2cccc(Cl)c2)n1 ZINC000073683309 211689116 /nfs/dbraw/zinc/68/91/16/211689116.db2.gz VVBNDABZGCUMPP-UHFFFAOYSA-N -1 0 367.836 5.362 10 0 FKAERM CCCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2cccc(Cl)c2)n1 ZINC000073683315 521383158 /nfs/dbraw/zinc/38/31/58/521383158.db2.gz ZRKDVOLRBIALNV-UHFFFAOYSA-N -1 0 367.836 5.191 10 0 FKAERM CCc1c(C)nc(-c2cccc(Cl)c2)nc1Nc1ccc(C(=O)[O-])cc1 ZINC000073683327 205033678 /nfs/dbraw/zinc/03/36/78/205033678.db2.gz WFQGYLQAQVBYQU-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CCc1nc(-c2cccc(Cl)c2)nc(Nc2ccc(C(=O)[O-])cc2)c1C ZINC000073683332 205033662 /nfs/dbraw/zinc/03/36/62/205033662.db2.gz RSNLMMGIGNWYNG-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CC(C)c1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073683412 211689354 /nfs/dbraw/zinc/68/93/54/211689354.db2.gz JYPSNCDWPJXNOA-UHFFFAOYSA-N -1 0 367.836 5.362 10 0 FKAERM CCCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073683419 208188318 /nfs/dbraw/zinc/18/83/18/208188318.db2.gz ICPMAAIGLMNOHP-UHFFFAOYSA-N -1 0 367.836 5.191 10 0 FKAERM CCc1c(C)nc(-c2ccc(Cl)cc2)nc1Nc1ccc(C(=O)[O-])cc1 ZINC000073683428 208187725 /nfs/dbraw/zinc/18/77/25/208187725.db2.gz ZILLSFKJVATCDX-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CCc1nc(-c2ccc(Cl)cc2)nc(Nc2ccc(C(=O)[O-])cc2)c1C ZINC000073683432 205033600 /nfs/dbraw/zinc/03/36/00/205033600.db2.gz WUZNRGMHDNZHCC-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CC(C)c1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2cccc(Cl)c2)n1 ZINC000073683721 221565861 /nfs/dbraw/zinc/56/58/61/221565861.db2.gz FLDSEKIBSNDODG-UHFFFAOYSA-N -1 0 367.836 5.362 10 0 FKAERM CCCc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2cccc(Cl)c2)n1 ZINC000073683724 521383997 /nfs/dbraw/zinc/38/39/97/521383997.db2.gz QFUHMMRSWPQRLG-UHFFFAOYSA-N -1 0 367.836 5.191 10 0 FKAERM CCc1c(C)nc(-c2cccc(Cl)c2)nc1Nc1cccc(C(=O)[O-])c1 ZINC000073683740 205033641 /nfs/dbraw/zinc/03/36/41/205033641.db2.gz AZDWMPWFCSIQMQ-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CCc1nc(-c2cccc(Cl)c2)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000073683742 522147892 /nfs/dbraw/zinc/14/78/92/522147892.db2.gz QYGPOGPTKQOOJP-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM CC(C)c1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2ccc(Cl)cc2)n1 ZINC000073683836 208189674 /nfs/dbraw/zinc/18/96/74/208189674.db2.gz OFZUSIAMWGIXSW-UHFFFAOYSA-N -1 0 367.836 5.362 10 0 FKAERM CCc1nc(-c2ccc(Cl)cc2)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000073683858 205033750 /nfs/dbraw/zinc/03/37/50/205033750.db2.gz FKKOECBTMWSGLR-UHFFFAOYSA-N -1 0 367.836 5.110 10 0 FKAERM O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000073685840 221565789 /nfs/dbraw/zinc/56/57/89/221565789.db2.gz WUTRZSBNUUCEEJ-UHFFFAOYSA-N -1 0 368.392 5.301 10 0 FKAERM Cc1c(C)c(O)c([C@@H](CCCCCC(=O)[O-])c2ccccc2)c(C)c1O ZINC000078244927 208923976 /nfs/dbraw/zinc/92/39/76/208923976.db2.gz HYBOIQNYUNVBNF-SFHVURJKSA-N -1 0 356.462 5.190 10 0 FKAERM CC(C)c1ccc(-c2csc3ncnc(N[C@H](C(=O)[O-])C(C)C)c23)cc1 ZINC000082584416 221710180 /nfs/dbraw/zinc/71/01/80/221710180.db2.gz ROSLSGVMDILUBY-KRWDZBQOSA-N -1 0 369.490 5.003 10 0 FKAERM CCCC[C@H](Nc1ncnc2scc(-c3ccc(C)cc3C)c21)C(=O)[O-] ZINC000082687577 208952253 /nfs/dbraw/zinc/95/22/53/208952253.db2.gz HGFLBQXSCKTTCL-INIZCTEOSA-N -1 0 369.490 5.030 10 0 FKAERM O=C([O-])CC1=C/C(=C\c2ccc(-c3ccccc3)nc2)c2ccc(F)cc21 ZINC000084724476 205659940 /nfs/dbraw/zinc/65/99/40/205659940.db2.gz USJCGIPWAOFTQU-LICLKQGHSA-N -1 0 357.384 5.300 10 0 FKAERM Cc1cccc(COc2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)c1 ZINC000090398008 524450191 /nfs/dbraw/zinc/45/01/91/524450191.db2.gz IKAOBNFYQRAZHL-UHFFFAOYSA-N -1 0 367.832 5.185 10 0 FKAERM CCc1ccccc1-c1cccc(CNC(=O)c2cc(Cl)ccc2O)c1 ZINC000090415685 521802726 /nfs/dbraw/zinc/80/27/26/521802726.db2.gz KWHATVLVJZBZTC-UHFFFAOYSA-N -1 0 365.860 5.205 10 0 FKAERM O=C(Nc1cccc(OCCC2CCCCC2)c1)c1cc(Cl)ccc1[O-] ZINC000090485026 527365858 /nfs/dbraw/zinc/36/58/58/527365858.db2.gz PVOJENKBWNTIGK-UHFFFAOYSA-N -1 0 373.880 5.647 10 0 FKAERM CC(C)(C)N(C(=O)[O-])c1ccc(Cl)cc1C(=O)c1c(F)cccc1F ZINC000095080643 209017694 /nfs/dbraw/zinc/01/76/94/209017694.db2.gz KPRKRJUQJKNAOE-UHFFFAOYSA-N -1 0 367.779 5.132 10 0 FKAERM CC(C)(C)c1cc(NC(=O)c2cc(Cl)ccc2[O-])cc(C(C)(C)C)c1 ZINC000095596080 209083916 /nfs/dbraw/zinc/08/39/16/209083916.db2.gz IXDKUYBWONLOHG-UHFFFAOYSA-N -1 0 359.897 5.893 10 0 FKAERM C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)[O-] ZINC000095804005 209086364 /nfs/dbraw/zinc/08/63/64/209086364.db2.gz 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