smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C(=O)C(CCC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000000642079 570443115 /nfs/dbraw/zinc/44/31/15/570443115.db2.gz AWYKAOYJOQIVKI-BRWVUGGUSA-N -1 0 352.474 5.655 50 30 FKEARM O=C1C(=O)C(CCC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=C([O-])c2ccccc21 ZINC000000642081 263141444 /nfs/dbraw/zinc/14/14/44/263141444.db2.gz AWYKAOYJOQIVKI-IKGGRYGDSA-N -1 0 352.474 5.655 50 30 FKEARM O=C1C(=O)C(CCC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000000642085 570443054 /nfs/dbraw/zinc/44/30/54/570443054.db2.gz AWYKAOYJOQIVKI-IXDOHACOSA-N -1 0 352.474 5.655 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000000705239 210263092 /nfs/dbraw/zinc/26/30/92/210263092.db2.gz DBYOPSAQYAKIQV-WSDLNYQXSA-N -1 0 357.240 6.193 50 30 FKEARM Cc1ccc2oc(-c3ccc(/N=C/c4cc(C)ccc4O)cc3[O-])nc2c1 ZINC000000711436 219316527 /nfs/dbraw/zinc/31/65/27/219316527.db2.gz KPVCSBODJNSAAV-FSJBWODESA-N -1 0 358.397 5.273 50 30 FKEARM Cc1cccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3o2)c1 ZINC000000711441 219315950 /nfs/dbraw/zinc/31/59/50/219315950.db2.gz BDXSFQJVJHYVJX-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3o2)cc1 ZINC000000711602 210264378 /nfs/dbraw/zinc/26/43/78/210264378.db2.gz YUCSKYWJZDRDIU-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM O=C([O-])c1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000000711949 570452023 /nfs/dbraw/zinc/45/20/23/570452023.db2.gz VGLQCZSDGDXIPH-YDZHTSKRSA-N -1 0 365.816 5.368 50 30 FKEARM COc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])cc1 ZINC000000712071 570452038 /nfs/dbraw/zinc/45/20/38/570452038.db2.gz LUMOWWKFWBDWGY-UFWORHAWSA-N -1 0 368.658 5.184 50 30 FKEARM CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3[O-])cc2s1 ZINC000000713959 210263812 /nfs/dbraw/zinc/26/38/12/210263812.db2.gz PCRSUCNCNNSBPB-CNHKJKLMSA-N -1 0 369.298 5.781 50 30 FKEARM O=C1c2ccccc2S/C1=C\c1cc(Cl)cc(Br)c1[O-] ZINC000000755221 219319332 /nfs/dbraw/zinc/31/93/32/219319332.db2.gz OMDDLFFHANHLIZ-MLPAPPSSSA-N -1 0 367.651 5.138 50 30 FKEARM COc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1 ZINC000000793515 219321840 /nfs/dbraw/zinc/32/18/40/219321840.db2.gz MUTLUQHJSGAUDY-SRZZPIQSSA-N -1 0 355.777 5.057 50 30 FKEARM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000000799751 570457032 /nfs/dbraw/zinc/45/70/32/570457032.db2.gz YVEUIXQUTJIRNN-WSDLNYQXSA-N -1 0 352.821 5.196 50 30 FKEARM Nc1c(Cl)cc(/N=C/c2cccc3cccc(C(=O)[O-])c23)cc1Cl ZINC000000826342 203955614 /nfs/dbraw/zinc/95/56/14/203955614.db2.gz VDCLQYYFYFRYHY-LSFURLLWSA-N -1 0 359.212 5.178 50 30 FKEARM Cc1cccc(-c2nc3cc(/N=C/c4cccc([N+](=O)[O-])c4[O-])ccc3o2)c1 ZINC000000864763 219333545 /nfs/dbraw/zinc/33/35/45/219333545.db2.gz DBZFJTSTJYQYEK-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM CCc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3[O-])nc2c1 ZINC000000990005 524060834 /nfs/dbraw/zinc/06/08/34/524060834.db2.gz ZWFLDUOEZJJQLJ-ZMOGYAJESA-N -1 0 372.424 5.527 50 30 FKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cc(C)ccc4O)cc3[O-])oc2c1 ZINC000001021175 219354184 /nfs/dbraw/zinc/35/41/84/219354184.db2.gz FLYWTQGEBZPNRM-FSJBWODESA-N -1 0 358.397 5.273 50 30 FKEARM N#Cc1c(/N=C/c2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000001023042 210303587 /nfs/dbraw/zinc/30/35/87/210303587.db2.gz KHWNAJMRMRZOLM-DNTJNYDQSA-N -1 0 351.258 5.262 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cc2ccncc2)cc1 ZINC000001026963 219354698 /nfs/dbraw/zinc/35/46/98/219354698.db2.gz MAHCCABRRSQMEY-FSJBWODESA-N -1 0 357.240 5.435 50 30 FKEARM Cc1cc(Br)ccc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000001041719 570475457 /nfs/dbraw/zinc/47/54/57/570475457.db2.gz MRWKNACVZNEQNV-CNHKJKLMSA-N -1 0 359.050 5.521 50 30 FKEARM CCOC(=O)c1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000001041805 570475307 /nfs/dbraw/zinc/47/53/07/570475307.db2.gz OEKAYQSWYXVWNL-DNTJNYDQSA-N -1 0 372.635 5.280 50 30 FKEARM Cc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1C#N ZINC000001045638 210307688 /nfs/dbraw/zinc/30/76/88/210307688.db2.gz KNTDTLNALDKSKJ-AUEPDCJTSA-N -1 0 355.224 5.783 50 30 FKEARM CC(C)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000001046341 571144427 /nfs/dbraw/zinc/14/44/27/571144427.db2.gz YBMPXPBQIYDROY-UHFFFAOYSA-N -1 0 362.860 5.432 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1 ZINC000001046868 206858451 /nfs/dbraw/zinc/85/84/51/206858451.db2.gz UBYXJMKECXSWBH-IFRROFPPSA-N -1 0 350.123 5.348 50 30 FKEARM Cc1cc(Cl)ccc1/N=C/c1cc(Br)cc(Cl)c1[O-] ZINC000001055806 571144285 /nfs/dbraw/zinc/14/42/85/571144285.db2.gz WDAMOKRHEYGKQA-CNHKJKLMSA-N -1 0 359.050 5.521 50 30 FKEARM O=C([O-])c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 ZINC000001096924 219368488 /nfs/dbraw/zinc/36/84/88/219368488.db2.gz RCUMCAQPRUEMST-SRZZPIQSSA-N -1 0 359.212 5.233 50 30 FKEARM O=C(c1ccccc1)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000001097885 219368658 /nfs/dbraw/zinc/36/86/58/219368658.db2.gz WUEKRVVRFKRWAE-FSJBWODESA-N -1 0 370.235 5.681 50 30 FKEARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2cccc(Cl)c2Cl)o1 ZINC000001101717 210315877 /nfs/dbraw/zinc/31/58/77/210315877.db2.gz BZQDRXSMOQIVMS-LSHDLFTRSA-N -1 0 374.223 6.011 50 30 FKEARM O=[N+]([O-])c1cc(Cl)c([O-])c(/N=C/c2sc3ccccc3c2Cl)c1 ZINC000001195280 571165468 /nfs/dbraw/zinc/16/54/68/571165468.db2.gz LMVXPWUPNGWNBH-CNHKJKLMSA-N -1 0 367.213 5.573 50 30 FKEARM Cc1ccc([C@@H](c2ccccc2)C2=C([O-])c3ccccc3C(=O)C2=O)cc1 ZINC000001226277 570495311 /nfs/dbraw/zinc/49/53/11/570495311.db2.gz GNLVRSGTBKDYQA-HXUWFJFHSA-N -1 0 354.405 5.018 50 30 FKEARM Cc1ccc([C@H](c2ccccc2)C2=C([O-])c3ccccc3C(=O)C2=O)cc1 ZINC000001226278 570495348 /nfs/dbraw/zinc/49/53/48/570495348.db2.gz GNLVRSGTBKDYQA-FQEVSTJZSA-N -1 0 354.405 5.018 50 30 FKEARM Cc1ccc2nc(-c3cc(/N=C/c4cc(C)c(C)cc4O)ccc3[O-])oc2c1 ZINC000001433545 210353318 /nfs/dbraw/zinc/35/33/18/210353318.db2.gz FLDQYNPGFNQANN-WYMPLXKRSA-N -1 0 372.424 5.582 50 30 FKEARM Cc1c(Cl)c(C)c(/C=N/c2ccc(Cl)cc2)c([O-])c1Br ZINC000001435228 571089501 /nfs/dbraw/zinc/08/95/01/571089501.db2.gz IRNWVXCHZJXSFN-FBCYGCLPSA-N -1 0 373.077 5.829 50 30 FKEARM Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c(C)c1 ZINC000001435232 571089659 /nfs/dbraw/zinc/08/96/59/571089659.db2.gz YFTYEEUEWCXZBY-DNTJNYDQSA-N -1 0 366.686 5.792 50 30 FKEARM Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])cc1 ZINC000001435236 219405938 /nfs/dbraw/zinc/40/59/38/219405938.db2.gz WDNORMXZQYKMSX-UFWORHAWSA-N -1 0 352.659 5.484 50 30 FKEARM Cc1cccc2oc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3[O-])nc21 ZINC000001435246 571090295 /nfs/dbraw/zinc/09/02/95/571090295.db2.gz LISWKLCQPSFZCL-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c1 ZINC000001435345 571091001 /nfs/dbraw/zinc/09/10/01/571091001.db2.gz ODFWDLJVHRFRJL-UFWORHAWSA-N -1 0 352.659 5.484 50 30 FKEARM Cc1c(Cl)c(C)c(/C=N/c2ccccc2Cl)c([O-])c1Br ZINC000001435387 571091100 /nfs/dbraw/zinc/09/11/00/571091100.db2.gz JICPGHAWZDAEAQ-FBCYGCLPSA-N -1 0 373.077 5.829 50 30 FKEARM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc2ncccc2c1 ZINC000001435429 210352877 /nfs/dbraw/zinc/35/28/77/210352877.db2.gz VBSHLNPXFMEVRG-AWQFTUOYSA-N -1 0 361.626 5.107 50 30 FKEARM O=C([O-])c1cccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000001436719 210353541 /nfs/dbraw/zinc/35/35/41/210353541.db2.gz WNRMXOXOQYINHJ-ZVHZXABRSA-N -1 0 354.409 5.138 50 30 FKEARM CCOc1ccc(-c2cc(-c3ccc4ccccc4c3)[n-]c(=O)c2C#N)cc1 ZINC000001441060 571104316 /nfs/dbraw/zinc/10/43/16/571104316.db2.gz NSXLDXHQXVWRCF-UHFFFAOYSA-N -1 0 366.420 5.132 50 30 FKEARM Cc1ccc2nc(-c3cc(/N=C/c4ccc([N+](=O)[O-])cc4)ccc3[O-])oc2c1 ZINC000001444175 570500265 /nfs/dbraw/zinc/50/02/65/570500265.db2.gz FAEAEOLFGZUQER-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1ccc(C)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c1 ZINC000001445314 570500206 /nfs/dbraw/zinc/50/02/06/570500206.db2.gz IKCMYQNGBHOSKH-DNTJNYDQSA-N -1 0 366.686 5.792 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1c(-c2ccco2)nc2ccccn21 ZINC000001446252 206883455 /nfs/dbraw/zinc/88/34/55/206883455.db2.gz OXVZEFVCVHTNFK-UFFVCSGVSA-N -1 0 372.211 5.357 50 30 FKEARM C=CCc1cc(/C=C/C(=O)[O-])cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000001461694 571124101 /nfs/dbraw/zinc/12/41/01/571124101.db2.gz SNDFCIGMYJJGNW-DHZHZOJOSA-N -1 0 372.848 5.144 50 30 FKEARM S=c1[n-]nc(-c2ccco2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000001475870 210356374 /nfs/dbraw/zinc/35/63/74/210356374.db2.gz ZEOGRDIVGAXRIG-LPYMAVHISA-N -1 0 370.437 5.389 50 30 FKEARM C=CCc1ccccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000001845548 571198122 /nfs/dbraw/zinc/19/81/22/571198122.db2.gz AUIAOSSIYXGHAA-UHFFFAOYSA-N -1 0 354.409 5.523 50 30 FKEARM Cc1cc(O)c(/C=N/c2cc(C(C)(C)C)cc(Cl)c2[O-])c(C)c1Cl ZINC000001879414 210373693 /nfs/dbraw/zinc/37/36/93/210373693.db2.gz YANGOLRUZAKGHA-LSFURLLWSA-N -1 0 366.288 6.070 50 30 FKEARM COc1ccc(/C=N/c2ccc([O-])c(-c3nc4ccccc4s3)c2)cc1 ZINC000001920034 204022157 /nfs/dbraw/zinc/02/21/57/204022157.db2.gz YYPNHCGDKLMGAC-LPYMAVHISA-N -1 0 360.438 5.428 50 30 FKEARM CCCCCCCCOc1ccc(/N=C/c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000001920366 219422308 /nfs/dbraw/zinc/42/23/08/219422308.db2.gz KWFDPUBMKRJABO-CJLVFECKSA-N -1 0 370.449 5.790 50 30 FKEARM COc1ccccc1/C=N/c1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000001950934 571202886 /nfs/dbraw/zinc/20/28/86/571202886.db2.gz VAWVJSNCOZLRRH-LPYMAVHISA-N -1 0 360.438 5.428 50 30 FKEARM CCCCCCCCCCCc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002066119 570513116 /nfs/dbraw/zinc/51/31/16/570513116.db2.gz GGLFOMODJKNIMA-UHFFFAOYSA-N -1 0 352.518 7.125 50 30 FKEARM CCCCCCCc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)o1 ZINC000002111405 219427003 /nfs/dbraw/zinc/42/70/03/219427003.db2.gz UQSRWEIFSRQURU-UHFFFAOYSA-N -1 0 351.446 6.014 50 30 FKEARM CCCCCCCc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)o1 ZINC000002112618 204025857 /nfs/dbraw/zinc/02/58/57/204025857.db2.gz CXWZIBOTMQSBQS-UHFFFAOYSA-N -1 0 365.473 6.323 50 30 FKEARM CCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000002131705 204027850 /nfs/dbraw/zinc/02/78/50/204027850.db2.gz FKYNWSRSQFDDQR-KEBDBYFISA-N -1 0 352.217 5.016 50 30 FKEARM Cc1ccc2oc(-c3ccc(/N=C/C=C/c4ccccc4)cc3O)nc2c1 ZINC000002147745 570515236 /nfs/dbraw/zinc/51/52/36/570515236.db2.gz PLXZYTCQZULFPX-FKORGFIESA-N -1 0 354.409 5.925 50 30 FKEARM CCCCCCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)cc21 ZINC000002188321 520027538 /nfs/dbraw/zinc/02/75/38/520027538.db2.gz SOYHSEDTYGHQGB-UHFFFAOYSA-N -1 0 365.420 5.119 50 30 FKEARM C=CCc1cc(C)ccc1Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002194632 519130555 /nfs/dbraw/zinc/13/05/55/519130555.db2.gz AGFXYEJZNKTSAY-UHFFFAOYSA-N -1 0 368.436 5.832 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000002199049 210383878 /nfs/dbraw/zinc/38/38/78/210383878.db2.gz UMGRSATZPFCQOP-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1Cl ZINC000002227323 570517149 /nfs/dbraw/zinc/51/71/49/570517149.db2.gz NIPYAWVTOKJZMD-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM CCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000002267039 571293961 /nfs/dbraw/zinc/29/39/61/571293961.db2.gz QAILIFPQCMHGLK-SRZZPIQSSA-N -1 0 362.260 5.599 50 30 FKEARM O=C([O-])c1cccc(/N=C/c2cc(-c3ccccc3)c3ccccc3n2)c1 ZINC000002272197 206154063 /nfs/dbraw/zinc/15/40/63/206154063.db2.gz WFFWNYBBICKZFP-BUVRLJJBSA-N -1 0 352.393 5.351 50 30 FKEARM [O-]c1c(Br)cc2oc3c(c2c1/C=N/c1ccccc1)CCCC3 ZINC000002278626 204030904 /nfs/dbraw/zinc/03/09/04/204030904.db2.gz NLGKRYNUCOEXPP-SRZZPIQSSA-N -1 0 370.246 5.530 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000002284475 204031813 /nfs/dbraw/zinc/03/18/13/204031813.db2.gz XBYUOPYNKSCEAM-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002324737 204034234 /nfs/dbraw/zinc/03/42/34/204034234.db2.gz AVZNIVXABVXAMP-FYJGNVAPSA-N -1 0 350.491 5.096 50 30 FKEARM S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000002324785 206910441 /nfs/dbraw/zinc/91/04/41/206910441.db2.gz JHGWJTMLCFEUFR-GIJQJNRQSA-N -1 0 355.294 5.177 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1 ZINC000002325084 570519018 /nfs/dbraw/zinc/51/90/18/570519018.db2.gz JFJAJMZKUPRYET-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(Cl)cc1Cl ZINC000002330669 570519259 /nfs/dbraw/zinc/51/92/59/570519259.db2.gz AJOFRXAPINPAFG-GIJQJNRQSA-N -1 0 355.294 5.177 50 30 FKEARM COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C1CCCCC1 ZINC000002341912 570519278 /nfs/dbraw/zinc/51/92/78/570519278.db2.gz OFJSCIWFAANHAS-FYJGNVAPSA-N -1 0 366.490 5.032 50 30 FKEARM Cc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)c1 ZINC000002342647 210391307 /nfs/dbraw/zinc/39/13/07/210391307.db2.gz RJPHBHUWNZXADN-FYJGNVAPSA-N -1 0 350.491 5.096 50 30 FKEARM S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc(Cl)c1Cl ZINC000002343294 204035337 /nfs/dbraw/zinc/03/53/37/204035337.db2.gz SZFWPEKKTTXLRA-GIJQJNRQSA-N -1 0 355.294 5.177 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/n1c2ccccc2c2ccccc21 ZINC000002346130 571318365 /nfs/dbraw/zinc/31/83/65/571318365.db2.gz XYLPBRBHJXODKN-SSDVNMTOSA-N -1 0 355.224 5.689 50 30 FKEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(Cl)cccc1Cl ZINC000002346259 210392940 /nfs/dbraw/zinc/39/29/40/210392940.db2.gz CBUXLGKHMDBFMY-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM CCc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002349010 570519810 /nfs/dbraw/zinc/51/98/10/570519810.db2.gz VUNSXAZHCZDXPE-HYARGMPZSA-N -1 0 364.518 5.350 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000002358719 570520131 /nfs/dbraw/zinc/52/01/31/570520131.db2.gz SNGFOGOQMDVBJC-HZHRSRAPSA-N -1 0 370.481 5.465 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000002372903 570520058 /nfs/dbraw/zinc/52/00/58/570520058.db2.gz LDEAZHDBJTVEIA-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1cccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])cc3)nc21 ZINC000002490124 571337297 /nfs/dbraw/zinc/33/72/97/571337297.db2.gz OGOXCHTUJDDXPA-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1cccc2oc(-c3cccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])c3)nc21 ZINC000002490174 571337307 /nfs/dbraw/zinc/33/73/07/571337307.db2.gz CRRZMHCTKHPEQW-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc3ccccc23)c1 ZINC000002553826 521312804 /nfs/dbraw/zinc/31/28/04/521312804.db2.gz PQXKEHSBOURJJR-HYARGMPZSA-N -1 0 374.469 5.042 50 30 FKEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000002588956 570526154 /nfs/dbraw/zinc/52/61/54/570526154.db2.gz UWXXDBDQXBPYOG-CIAFOILYSA-N -1 0 370.909 5.441 50 30 FKEARM [O-]c1c(Cl)cccc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000002756701 571340847 /nfs/dbraw/zinc/34/08/47/571340847.db2.gz BFWPKJWSOWRHQB-FOKLQQMPSA-N -1 0 366.779 5.744 50 30 FKEARM [O-]c1c(Cl)cccc1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000002756709 571340843 /nfs/dbraw/zinc/34/08/43/571340843.db2.gz QRNYXRCZOWQDPO-FOKLQQMPSA-N -1 0 366.779 5.744 50 30 FKEARM CCCCCCCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)o1 ZINC000002765234 570670472 /nfs/dbraw/zinc/67/04/72/570670472.db2.gz AMHHOBQNDLBAJG-UHFFFAOYSA-N -1 0 351.446 6.014 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000002771251 570531601 /nfs/dbraw/zinc/53/16/01/570531601.db2.gz HHSVVEYEQLTTRY-LSHDLFTRSA-N -1 0 356.208 6.349 50 30 FKEARM N#Cc1c(NC(=O)C(F)(F)F)scc1-c1ccc(Cl)cc1Cl ZINC000002773203 571340859 /nfs/dbraw/zinc/34/08/59/571340859.db2.gz CNYZXQHUOLGZSQ-UHFFFAOYSA-N -1 0 365.163 5.094 50 30 FKEARM O=C(Nc1ccccc1)c1cc2ccccc2c(/C=N/c2ccccc2)c1[O-] ZINC000003028249 219483132 /nfs/dbraw/zinc/48/31/32/219483132.db2.gz WAYZKPHZOSAJPJ-PCLIKHOPSA-N -1 0 366.420 5.548 50 30 FKEARM CC[C@@H](C)Sc1sc(C(=O)[O-])c(-c2ccc(Cl)cc2)c1C#N ZINC000003045716 571343906 /nfs/dbraw/zinc/34/39/06/571343906.db2.gz IZXSEAJSPXOFLR-SECBINFHSA-N -1 0 351.880 5.529 50 30 FKEARM CC[C@H](C)Sc1sc(C(=O)[O-])c(-c2ccc(Cl)cc2)c1C#N ZINC000003045719 204075084 /nfs/dbraw/zinc/07/50/84/204075084.db2.gz IZXSEAJSPXOFLR-VIFPVBQESA-N -1 0 351.880 5.529 50 30 FKEARM CC(C)CSc1sc(C(=O)[O-])c(-c2ccc(Cl)cc2)c1C#N ZINC000003045722 571343946 /nfs/dbraw/zinc/34/39/46/571343946.db2.gz BJAGHCBHGOMAKS-UHFFFAOYSA-N -1 0 351.880 5.386 50 30 FKEARM CCCCOC(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000003090312 520719651 /nfs/dbraw/zinc/71/96/51/520719651.db2.gz ARIAUNGHDMQYSV-SRZZPIQSSA-N -1 0 366.244 5.407 50 30 FKEARM Cc1ccc2nc(-c3ccc(/N=C/c4ccccc4Cl)cc3[O-])oc2c1 ZINC000003092301 219486509 /nfs/dbraw/zinc/48/65/09/219486509.db2.gz ACCAFMWINZFCBB-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4[N+](=O)[O-])cc3[O-])nc2c1 ZINC000003099027 570551503 /nfs/dbraw/zinc/55/15/03/570551503.db2.gz SXQGVMLFCAHOTC-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1ccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3[O-])nc2c1 ZINC000003099114 570551329 /nfs/dbraw/zinc/55/13/29/570551329.db2.gz JANSEQUHNPXBAQ-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM Cc1cccc2oc(-c3cc(/N=C/c4ccc(Cl)cc4)ccc3[O-])nc21 ZINC000003114109 571293495 /nfs/dbraw/zinc/29/34/95/571293495.db2.gz QBZFXIDIPBRDDA-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM Cc1ccc(O)c(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])c1 ZINC000003114111 571344809 /nfs/dbraw/zinc/34/48/09/571344809.db2.gz KKZLXBQNTWIHGU-FBCYGCLPSA-N -1 0 368.658 5.190 50 30 FKEARM Cc1cccc2oc(-c3cc(/N=C/c4ccccc4[N+](=O)[O-])ccc3[O-])nc21 ZINC000003114128 571344861 /nfs/dbraw/zinc/34/48/61/571344861.db2.gz ULCTZOMKGGFMPC-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1cc(Cl)ccc1Cl ZINC000003114249 570612019 /nfs/dbraw/zinc/61/20/19/570612019.db2.gz UJVDKVZSBIGIDZ-KPSZGOFPSA-N -1 0 373.623 5.628 50 30 FKEARM Cc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2[O-])cc1C ZINC000003114286 571344829 /nfs/dbraw/zinc/34/48/29/571344829.db2.gz XDCWACFEXPHGBX-DNTJNYDQSA-N -1 0 366.686 5.792 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc2ccccc2c1 ZINC000003114303 204077718 /nfs/dbraw/zinc/07/77/18/204077718.db2.gz IRPOTSSEEDZUER-UFFVCSGVSA-N -1 0 354.793 5.474 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(Cl)cc1Cl ZINC000003115381 570626512 /nfs/dbraw/zinc/62/65/12/570626512.db2.gz XNXATZDRWUYLRR-KPSZGOFPSA-N -1 0 373.623 5.628 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1cccc2ccccc21 ZINC000003115443 204078652 /nfs/dbraw/zinc/07/86/52/204078652.db2.gz MZLLQXKCALLVHO-UFFVCSGVSA-N -1 0 354.793 5.474 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(Cl)c(Cl)c1 ZINC000003115456 204078258 /nfs/dbraw/zinc/07/82/58/204078258.db2.gz HXHQGCHNNAPSCU-KPSZGOFPSA-N -1 0 373.623 5.628 50 30 FKEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(F)c(Cl)c1 ZINC000003115491 204077894 /nfs/dbraw/zinc/07/78/94/204077894.db2.gz QBRUARNFWLVDQJ-KPSZGOFPSA-N -1 0 357.168 5.114 50 30 FKEARM [O-]c1c(Cl)cc(Br)cc1/C=N/c1cccc2ccccc21 ZINC000003116247 204077773 /nfs/dbraw/zinc/07/77/73/204077773.db2.gz XBVBOGIZAAMYMK-KEBDBYFISA-N -1 0 360.638 5.712 50 30 FKEARM CCCCSc1sc(C(=O)[O-])c(-c2ccc(Cl)cc2)c1C#N ZINC000003126587 571344922 /nfs/dbraw/zinc/34/49/22/571344922.db2.gz MCLHOQSPFWURPK-UHFFFAOYSA-N -1 0 351.880 5.531 50 30 FKEARM O=[P@@]([O-])(Nc1ccccc1)C(=Nc1ccccc1)Nc1ccccc1 ZINC000003174352 206157688 /nfs/dbraw/zinc/15/76/88/206157688.db2.gz OZCKNOMIEOOTDH-UHFFFAOYSA-N -1 0 351.346 5.084 50 30 FKEARM Cc1ccc2nc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])c3)oc2c1 ZINC000003184593 571345335 /nfs/dbraw/zinc/34/53/35/571345335.db2.gz BBTQVNUFZQEUBI-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM CCCCCCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000003228215 204083282 /nfs/dbraw/zinc/08/32/82/204083282.db2.gz RQDTXBSJQXRPFV-UHFFFAOYSA-N -1 0 350.553 5.360 50 30 FKEARM CCCCCCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3 ZINC000003228257 570555263 /nfs/dbraw/zinc/55/52/63/570555263.db2.gz MRXPFFWTQRIUJH-UHFFFAOYSA-N -1 0 364.580 5.750 50 30 FKEARM Cc1ccccc1C([O-])=C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236401 571345925 /nfs/dbraw/zinc/34/59/25/571345925.db2.gz HXWKTHILVIGJQT-CYBMUJFWSA-N -1 0 360.360 5.114 50 30 FKEARM Cc1ccccc1C([O-])=C(C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000003236402 571345922 /nfs/dbraw/zinc/34/59/22/571345922.db2.gz HXWKTHILVIGJQT-ZDUSSCGKSA-N -1 0 360.360 5.114 50 30 FKEARM CCCCCCCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C)CC3 ZINC000003239382 570555575 /nfs/dbraw/zinc/55/55/75/570555575.db2.gz XHRXDIHZEQCYCO-ZDUSSCGKSA-N -1 0 364.580 5.606 50 30 FKEARM CCCCCCCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C)CC3 ZINC000003239383 570555682 /nfs/dbraw/zinc/55/56/82/570555682.db2.gz XHRXDIHZEQCYCO-CYBMUJFWSA-N -1 0 364.580 5.606 50 30 FKEARM Cc1cccc2oc(-c3cccc(/N=C/c4cccc([N+](=O)[O-])c4[O-])c3)nc21 ZINC000003661655 204110665 /nfs/dbraw/zinc/11/06/65/204110665.db2.gz BTCVMIPJCFBRLJ-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM N#Cc1ccc2nc(-c3ccc(-c4ccc(C(=O)[O-])cc4)s3)sc2c1 ZINC000003851633 571352704 /nfs/dbraw/zinc/35/27/04/571352704.db2.gz DRVZFGTUYSUPJQ-UHFFFAOYSA-N -1 0 362.435 5.262 50 30 FKEARM CCc1ccccc1NN=C(c1ccc(C)cc1)c1ccccc1C(=O)[O-] ZINC000003909089 206995534 /nfs/dbraw/zinc/99/55/34/206995534.db2.gz WIGMAVGAGCVTGU-YYDJUVGSSA-N -1 0 358.441 5.120 50 30 FKEARM Cc1ccsc1C=NNc1ccc2c(Cl)cc(Cl)c([O-])c2n1 ZINC000003909701 571353193 /nfs/dbraw/zinc/35/31/93/571353193.db2.gz ZFPWOEWFDQASRX-CNHKJKLMSA-N -1 0 352.246 5.063 50 30 FKEARM Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(=O)[n-]2)cc1 ZINC000004002336 571353796 /nfs/dbraw/zinc/35/37/96/571353796.db2.gz LTSAFYSYOMQELV-UHFFFAOYSA-N -1 0 355.224 5.196 50 30 FKEARM N#Cc1c(=O)[n-]c(-c2cccc(C(F)(F)F)c2)cc1-c1ccc(Cl)cc1 ZINC000004024972 571354119 /nfs/dbraw/zinc/35/41/19/571354119.db2.gz KSRUVUAZALRVDV-UHFFFAOYSA-N -1 0 374.749 5.253 50 30 FKEARM N#Cc1c(=O)[n-]c(-c2ccc(C(F)(F)F)cc2)cc1-c1ccc(Cl)cc1 ZINC000004024974 571354157 /nfs/dbraw/zinc/35/41/57/571354157.db2.gz SLDWPHKWAUXEFI-UHFFFAOYSA-N -1 0 374.749 5.253 50 30 FKEARM C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)c(C(=O)[O-])c1O ZINC000004098864 560196255 /nfs/dbraw/zinc/19/62/55/560196255.db2.gz WVOLTBSCXRRQFR-DLBZAZTESA-N -1 0 358.478 5.545 50 30 biogenic,in-vitro FKEARM Cc1ccccc1-c1nc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc2o1 ZINC000004142353 204123836 /nfs/dbraw/zinc/12/38/36/204123836.db2.gz NNRCOTFLNRTPHM-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1sc(/N=C/c2cc(Br)cc(Cl)c2[O-])c(C#N)c1C ZINC000004150682 571356157 /nfs/dbraw/zinc/35/61/57/571356157.db2.gz NQGXKROMJBJWRJ-NGYBGAFCSA-N -1 0 369.671 5.109 50 30 FKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3[O-])oc2c1 ZINC000004181453 204125819 /nfs/dbraw/zinc/12/58/19/204125819.db2.gz NHIVFGHQFVBJSB-FSJBWODESA-N -1 0 358.397 5.273 50 30 FKEARM O=C1C(=O)C(CCCCCCCCC2CCCCC2)=C([O-])c2ccccc21 ZINC000004216843 527129349 /nfs/dbraw/zinc/12/93/49/527129349.db2.gz MGDIRAXSDLCQGC-UHFFFAOYSA-N -1 0 368.517 6.579 50 30 in-man FKEARM [O-]c1ccccc1-c1nc2ccccc2c(N=NCc2ccccc2Cl)n1 ZINC000004322368 526368106 /nfs/dbraw/zinc/36/81/06/526368106.db2.gz BEUCEBGGZDRAJZ-YDZHTSKRSA-N -1 0 374.831 5.102 50 30 FKEARM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c(c2)oc2ccccc23)c1[O-] ZINC000004322717 570585243 /nfs/dbraw/zinc/58/52/43/570585243.db2.gz SZHSJAIELQVDHF-UFFVCSGVSA-N -1 0 366.760 5.604 50 30 FKEARM CC(C)Oc1cccc(/C=C/C(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000004338146 204134396 /nfs/dbraw/zinc/13/43/96/204134396.db2.gz KZVKYPGDTZTAOU-VOTSOKGWSA-N -1 0 351.229 5.382 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCCCCC1 ZINC000004361778 204135886 /nfs/dbraw/zinc/13/58/86/204135886.db2.gz SSTLDSGHYFZOPB-LPYMAVHISA-N -1 0 363.288 5.830 50 30 FKEARM Cc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1 ZINC000004368357 570587371 /nfs/dbraw/zinc/58/73/71/570587371.db2.gz RTSJTKNLKKILKL-FYJGNVAPSA-N -1 0 350.491 5.096 50 30 FKEARM N#CCCSc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000004377246 570588288 /nfs/dbraw/zinc/58/82/88/570588288.db2.gz KZIBTFIUWMJCQS-KEBDBYFISA-N -1 0 351.258 5.455 50 30 FKEARM O=C([O-])c1coc2c1C(=NNc1c(Cl)cc(Cl)cc1Cl)CCC2 ZINC000004389880 207018744 /nfs/dbraw/zinc/01/87/44/207018744.db2.gz FUDVHDXNLRIWBU-YBFXNURJSA-N -1 0 373.623 5.091 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl ZINC000004390635 526324969 /nfs/dbraw/zinc/32/49/69/526324969.db2.gz IYMBRKQRRYIRHD-AWQFTUOYSA-N -1 0 374.720 5.705 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000004459103 526324311 /nfs/dbraw/zinc/32/43/11/526324311.db2.gz MAFXBSVDQNIJJO-UFWORHAWSA-N -1 0 364.257 5.269 50 30 FKEARM CCCc1ccc(O)c(/N=C/c2cc(Cl)cc(Br)c2[O-])c1 ZINC000004499449 570801466 /nfs/dbraw/zinc/80/14/66/570801466.db2.gz VJRLGBMZMANDEK-DJKKODMXSA-N -1 0 368.658 5.217 50 30 FKEARM O=C1C(=O)C(CCCC[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000004552435 570596014 /nfs/dbraw/zinc/59/60/14/570596014.db2.gz NCHVXENYWKKANN-FGTMMUONSA-N -1 0 366.501 6.045 50 30 FKEARM O=C1C(=O)C(CCCC[C@@H]2CC[C@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000004552437 204145397 /nfs/dbraw/zinc/14/53/97/204145397.db2.gz NCHVXENYWKKANN-KZNAEPCWSA-N -1 0 366.501 6.045 50 30 FKEARM O=C1C(=O)C(CCC[C@@H]2CCC[C@H]3CCCC[C@@H]32)=C([O-])c2ccccc21 ZINC000004552447 571048716 /nfs/dbraw/zinc/04/87/16/571048716.db2.gz NUUNXYJGPKCBLC-IKGGRYGDSA-N -1 0 352.474 5.655 50 30 FKEARM O=C1C(=O)C(CCC[C@@H]2CCC[C@@H]3CCCC[C@H]23)=C([O-])c2ccccc21 ZINC000004552449 571048669 /nfs/dbraw/zinc/04/86/69/571048669.db2.gz NUUNXYJGPKCBLC-ULQDDVLXSA-N -1 0 352.474 5.655 50 30 FKEARM Cc1cc2nc(-c3cc(/N=C/c4ccccc4O)ccc3[O-])oc2cc1C ZINC000004592817 207030679 /nfs/dbraw/zinc/03/06/79/207030679.db2.gz IFUXUIMTMOWHBL-FSJBWODESA-N -1 0 358.397 5.273 50 30 FKEARM O=C([O-])/C=C/c1cccc(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000004662531 570599375 /nfs/dbraw/zinc/59/93/75/570599375.db2.gz LTVLVPDKDXIMDY-PSJWAGLYSA-N -1 0 351.405 5.841 50 30 FKEARM CCCc1ccc(O)c(/N=C/c2cc(Br)cc(Cl)c2[O-])c1 ZINC000004673273 571157318 /nfs/dbraw/zinc/15/73/18/571157318.db2.gz VLFYBQJXLFQWPC-DJKKODMXSA-N -1 0 368.658 5.217 50 30 FKEARM Cc1cc(C(=O)[O-])ccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004675847 571158050 /nfs/dbraw/zinc/15/80/50/571158050.db2.gz ORUZAUPDLGCPGX-BUHFOSPRSA-N -1 0 357.409 5.169 50 30 FKEARM Cc1ccc(-c2ccc(/C=N/c3ccc4ncccc4c3)o2)cc1C(=O)[O-] ZINC000004676625 207036462 /nfs/dbraw/zinc/03/64/62/207036462.db2.gz FRJSPZZRXZBSQT-ZMOGYAJESA-N -1 0 356.381 5.252 50 30 FKEARM CC(C)n1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000004676890 571157958 /nfs/dbraw/zinc/15/79/58/571157958.db2.gz YFELHOOTWHJDJX-UFFVCSGVSA-N -1 0 355.825 5.020 50 30 FKEARM O=C([O-])c1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000004739151 204160640 /nfs/dbraw/zinc/16/06/40/204160640.db2.gz ILNDZSZMLOJPSY-UFFVCSGVSA-N -1 0 360.196 5.702 50 30 FKEARM Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(F)cc1 ZINC000004739250 204160930 /nfs/dbraw/zinc/16/09/30/204160930.db2.gz IJCKHUDENHDSFG-FOKLQQMPSA-N -1 0 370.811 5.335 50 30 FKEARM Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)cc1C(=O)[O-] ZINC000004739268 571229713 /nfs/dbraw/zinc/22/97/13/571229713.db2.gz LUKFPMURQFCWPX-LSHDLFTRSA-N -1 0 357.768 5.496 50 30 FKEARM Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3C)o2)cc1C(=O)[O-] ZINC000004739270 207043455 /nfs/dbraw/zinc/04/34/55/207043455.db2.gz LCRAXMPUWCMSIN-SSDVNMTOSA-N -1 0 353.805 5.666 50 30 FKEARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(Cl)cc2O)o1 ZINC000004739436 204159991 /nfs/dbraw/zinc/15/99/91/204159991.db2.gz HDZKPUTZTWULLK-UFFVCSGVSA-N -1 0 355.777 5.063 50 30 FKEARM CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000004739504 571229773 /nfs/dbraw/zinc/22/97/73/571229773.db2.gz MWSSFNFICQZEPF-FBCYGCLPSA-N -1 0 372.273 5.305 50 30 FKEARM Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1cccc(C)c1 ZINC000004740744 570604090 /nfs/dbraw/zinc/60/40/90/570604090.db2.gz XYNIOIXINQEADC-FSJBWODESA-N -1 0 366.848 5.505 50 30 FKEARM Cc1cc(/C=N/c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000004797819 570606957 /nfs/dbraw/zinc/60/69/57/570606957.db2.gz YEMYFCNCTCTWSD-FSJBWODESA-N -1 0 366.848 5.505 50 30 FKEARM O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccc2Cl)c1[O-])CCCC3 ZINC000004805345 207049431 /nfs/dbraw/zinc/04/94/31/207049431.db2.gz UJVGLDBEFDFFRI-UFFVCSGVSA-N -1 0 370.792 5.329 50 30 FKEARM O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(Cl)cc2)c1[O-])CCCC3 ZINC000004808923 207048930 /nfs/dbraw/zinc/04/89/30/207048930.db2.gz JTCVTNDFTJBKAR-UFFVCSGVSA-N -1 0 370.792 5.329 50 30 FKEARM Cc1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)cc1C ZINC000004814934 570449554 /nfs/dbraw/zinc/44/95/54/570449554.db2.gz BULWMRRAZOZNLF-SSDVNMTOSA-N -1 0 364.401 5.293 50 30 FKEARM Cc1ccc(C)c(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)c1 ZINC000004815357 204165885 /nfs/dbraw/zinc/16/58/85/204165885.db2.gz HLJKUFBQHAAKDN-SSDVNMTOSA-N -1 0 364.401 5.293 50 30 FKEARM C=CCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 ZINC000004816217 210105186 /nfs/dbraw/zinc/10/51/86/210105186.db2.gz TYZSMMIJLCXKEQ-JOCHJYFZSA-N -1 0 366.530 5.109 50 30 FKEARM CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1C#N ZINC000004880556 570553966 /nfs/dbraw/zinc/55/39/66/570553966.db2.gz GFBRHGWMRWOPCO-UHFFFAOYSA-N -1 0 371.849 5.051 50 30 FKEARM CCc1c(C)sc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1C#N ZINC000004881051 570553867 /nfs/dbraw/zinc/55/38/67/570553867.db2.gz IXZGMYWYCADXSM-UHFFFAOYSA-N -1 0 371.849 5.051 50 30 FKEARM Cc1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)c(C)c1 ZINC000004898527 570556138 /nfs/dbraw/zinc/55/61/38/570556138.db2.gz GCEZCCCPOWYXJH-SSDVNMTOSA-N -1 0 364.401 5.293 50 30 FKEARM O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Br)ccc1[O-] ZINC000004898806 570556040 /nfs/dbraw/zinc/55/60/40/570556040.db2.gz FQNBRHPMEPCRGJ-GORDUTHDSA-N -1 0 372.045 5.358 50 30 FKEARM CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1 ZINC000004936193 520250029 /nfs/dbraw/zinc/25/00/29/520250029.db2.gz LFCILKXAGDEZHB-RCCKNPSSSA-N -1 0 372.538 5.440 50 30 FKEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc3c(-c4ccccc4)ccnc23)c1 ZINC000004982594 571101060 /nfs/dbraw/zinc/10/10/60/571101060.db2.gz CYHWUBIXJYHVOE-ZVHZXABRSA-N -1 0 369.380 5.266 50 30 FKEARM O=C(/C=C/c1ccc(Br)cc1)c1ccc2ccccc2c1[O-] ZINC000005101305 207080235 /nfs/dbraw/zinc/08/02/35/207080235.db2.gz CTFQJSNBWVLXAC-KPKJPENVSA-N -1 0 353.215 5.204 50 30 FKEARM COc1ccc2sc([N-]c3nc(-c4ccc(C#N)cc4)cs3)nc2c1 ZINC000005122778 570586886 /nfs/dbraw/zinc/58/68/86/570586886.db2.gz KXKHNYXOLSFWRP-UHFFFAOYSA-N -1 0 364.455 5.044 50 30 FKEARM O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1[O-] ZINC000005174210 570628398 /nfs/dbraw/zinc/62/83/98/570628398.db2.gz HLNVMDXLXVZVRU-SSDVNMTOSA-N -1 0 364.788 5.276 50 30 FKEARM Cc1ccc(NN=C(CCCCC(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000005204468 570633034 /nfs/dbraw/zinc/63/30/34/570633034.db2.gz PZOABEAJHNRMBW-NJNXFGOHSA-N -1 0 361.445 5.004 50 30 FKEARM Cc1c(/C=C/C(=O)c2cc(Br)ccc2[O-])oc2cc(C)ccc12 ZINC000005342935 570648262 /nfs/dbraw/zinc/64/82/62/570648262.db2.gz JPVPSVCPMHFIAU-BQYQJAHWSA-N -1 0 371.230 5.414 50 30 FKEARM CC(C)(C)c1cc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000005355080 204204948 /nfs/dbraw/zinc/20/49/48/204204948.db2.gz FOUVTBKPJRMLPE-FMIVXFBMSA-N -1 0 364.485 5.876 50 30 in-vitro FKEARM O=c1oc2c3ccccc3ccc2c([O-])c1/C=N/c1cccc2ccccc21 ZINC000005450693 204209001 /nfs/dbraw/zinc/20/90/01/204209001.db2.gz BEWPESBLLWQECF-AFUMVMLFSA-N -1 0 365.388 5.556 50 30 FKEARM O=C([O-])c1ccc(NN=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000005531341 207103724 /nfs/dbraw/zinc/10/37/24/207103724.db2.gz ROEAKWNJEZQJKU-FOKLQQMPSA-N -1 0 374.318 5.110 50 30 FKEARM COc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1Cl ZINC000005601409 570631663 /nfs/dbraw/zinc/63/16/63/570631663.db2.gz JFCMAUNTCVGVGB-SSDVNMTOSA-N -1 0 369.804 5.366 50 30 FKEARM [O-]c1c(C=Nc2cc(C(F)(F)F)ccc2Cl)sc2ccccc12 ZINC000005668434 207110695 /nfs/dbraw/zinc/11/06/95/207110695.db2.gz SDJDDIOFLZKWNL-ODCIPOBUSA-N -1 0 355.768 6.030 50 30 FKEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)cc1 ZINC000005669428 570633124 /nfs/dbraw/zinc/63/31/24/570633124.db2.gz QATAIUDEXVGNNO-CIAFOILYSA-N -1 0 370.909 5.441 50 30 FKEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc1 ZINC000005669436 204219805 /nfs/dbraw/zinc/21/98/05/204219805.db2.gz LVTKSQJHLQNZRA-CIAFOILYSA-N -1 0 370.909 5.441 50 30 FKEARM [O-]/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000005675483 570807464 /nfs/dbraw/zinc/80/74/64/570807464.db2.gz NPGQDHORGPOZSS-XXKVJXOSSA-N -1 0 350.643 5.085 50 30 FKEARM [O-]/N=C(\c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000005675569 570807946 /nfs/dbraw/zinc/80/79/46/570807946.db2.gz NPGQDHORGPOZSS-MLOFKKRKSA-N -1 0 350.643 5.085 50 30 FKEARM CC(C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1)=Cc1ccccc1 ZINC000005789129 571214450 /nfs/dbraw/zinc/21/44/50/571214450.db2.gz ASLMHVHAXVPAEP-TVXDCWTGSA-N -1 0 354.866 5.198 50 30 FKEARM CC(C=Nn1c(=S)[n-]nc1-c1ccccc1Cl)=Cc1ccccc1 ZINC000005789131 571214384 /nfs/dbraw/zinc/21/43/84/571214384.db2.gz WPFNBKSQDYMSEC-SUZRTUOYSA-N -1 0 354.866 5.198 50 30 FKEARM CC(C)(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000005789580 204225866 /nfs/dbraw/zinc/22/58/66/204225866.db2.gz DLPMWNKFAHSQQT-CIAFOILYSA-N -1 0 370.909 5.441 50 30 FKEARM CC(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000005822281 204226571 /nfs/dbraw/zinc/22/65/71/204226571.db2.gz KGAFMKOOYKXLGT-RGVLZGJSSA-N -1 0 356.882 5.267 50 30 FKEARM CC(C=Nn1c(=S)[n-]nc1-c1ccc(Cl)cc1)=Cc1ccccc1 ZINC000005828308 204226528 /nfs/dbraw/zinc/22/65/28/204226528.db2.gz KFFLDGCWIGVHPU-SUZRTUOYSA-N -1 0 354.866 5.198 50 30 FKEARM CC(C=Nn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1)=Cc1ccco1 ZINC000005828985 519349124 /nfs/dbraw/zinc/34/91/24/519349124.db2.gz KBBZVIYAFVJCHZ-NJHNZTFHSA-N -1 0 366.490 5.436 50 30 FKEARM CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000005860643 520250535 /nfs/dbraw/zinc/25/05/35/520250535.db2.gz FPNJTABJICDEAD-RCCKNPSSSA-N -1 0 366.490 5.059 50 30 FKEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)cc1 ZINC000005900425 571167791 /nfs/dbraw/zinc/16/77/91/571167791.db2.gz CNUYGCUMHZSLNA-FYJGNVAPSA-N -1 0 366.490 5.012 50 30 FKEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)C)cc2)c1 ZINC000005900779 521312881 /nfs/dbraw/zinc/31/28/81/521312881.db2.gz LEBZCMBCJLQYSQ-FYJGNVAPSA-N -1 0 366.490 5.012 50 30 FKEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)c1 ZINC000006174180 207131744 /nfs/dbraw/zinc/13/17/44/207131744.db2.gz BQKNITWCYQDKAV-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)c1 ZINC000006174185 207132268 /nfs/dbraw/zinc/13/22/68/207132268.db2.gz DONOKKAOWOSMFX-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)c1 ZINC000006174186 207131735 /nfs/dbraw/zinc/13/17/35/207131735.db2.gz GAYLXMXTUSFTES-FYJGNVAPSA-N -1 0 350.491 5.096 50 30 FKEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006174190 204239385 /nfs/dbraw/zinc/23/93/85/204239385.db2.gz TWROAUFTYCOJOS-HZHRSRAPSA-N -1 0 370.481 5.465 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000006199507 571161697 /nfs/dbraw/zinc/16/16/97/571161697.db2.gz LEXIXSRMSXNWOC-LOXJZLIVSA-N -1 0 354.866 5.030 50 30 FKEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000006199515 204241381 /nfs/dbraw/zinc/24/13/81/204241381.db2.gz UFUOJVFTXJKIBM-FYJGNVAPSA-N -1 0 350.491 5.096 50 30 FKEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000006208393 570643075 /nfs/dbraw/zinc/64/30/75/570643075.db2.gz GNAVTXOWEDMLRT-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000006208395 570643175 /nfs/dbraw/zinc/64/31/75/570643175.db2.gz KKRFQNNNUCYIQV-HZHRSRAPSA-N -1 0 370.481 5.465 50 30 FKEARM Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000006230918 204242147 /nfs/dbraw/zinc/24/21/47/204242147.db2.gz BTTHYCVDDTZOBT-OEAKJJBVSA-N -1 0 374.444 5.296 50 30 FKEARM [O-]c1c(Cl)cc(Cl)c(C=NN=c2[nH]c3ccccc3s2)c1Cl ZINC000006244198 204242062 /nfs/dbraw/zinc/24/20/62/204242062.db2.gz NAGAOXVNTNCKSH-NGYBGAFCSA-N -1 0 372.664 5.408 50 30 FKEARM COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c([O-])c1 ZINC000006381289 523539990 /nfs/dbraw/zinc/53/99/90/523539990.db2.gz XNZXNDDWJVRKKB-JXMROGBWSA-N -1 0 354.789 5.210 50 30 FKEARM S=c1[n-]nc(-c2cccc(Cl)c2)n1N=Cc1cccc2ccccc12 ZINC000006864933 571276764 /nfs/dbraw/zinc/27/67/64/571276764.db2.gz YAOSGBWKKVWMDE-CIAFOILYSA-N -1 0 364.861 5.296 50 30 FKEARM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000006888961 527616028 /nfs/dbraw/zinc/61/60/28/527616028.db2.gz LLBABHKPMRXSRS-OVCLIPMQSA-N -1 0 364.441 5.094 50 30 FKEARM CCCCCCCCCCCCCCCCOc1ccc(C(=O)[O-])cc1 ZINC000006920373 520002228 /nfs/dbraw/zinc/00/22/28/520002228.db2.gz GAQCVRTXIAGNEM-UHFFFAOYSA-N -1 0 362.554 7.245 50 30 FKEARM CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000006920379 570656991 /nfs/dbraw/zinc/65/69/91/570656991.db2.gz XEZVDURJDFGERA-UHFFFAOYSA-N -1 0 354.619 8.283 50 30 endogenous,in-man FKEARM CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000006920380 570656936 /nfs/dbraw/zinc/65/69/36/570656936.db2.gz QZZGJDVWLFXDLK-UHFFFAOYSA-N -1 0 368.646 8.673 50 30 endogenous,in-man FKEARM CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[O-] ZINC000006920440 570657007 /nfs/dbraw/zinc/65/70/07/570657007.db2.gz GWHCXVQVJPWHRF-KTKRTIGZSA-N -1 0 366.630 8.449 50 30 endogenous,in-man FKEARM CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-] ZINC000006943674 571191629 /nfs/dbraw/zinc/19/16/29/571191629.db2.gz HVWGGPRWKSHASF-UHFFFAOYSA-N -1 0 350.565 6.067 50 30 FKEARM CCCCCCCCCCCCCCCCNc1ccc(C(=O)[O-])cc1 ZINC000008214517 520000744 /nfs/dbraw/zinc/00/07/44/520000744.db2.gz QXWKHSSBFQDQPR-UHFFFAOYSA-N -1 0 361.570 7.278 50 30 in-man FKEARM CCCCCCCCCCCCNC(=O)c1ccc(C)c([O-])c1[N+](=O)[O-] ZINC000008397517 520010486 /nfs/dbraw/zinc/01/04/86/520010486.db2.gz IZAITOYWKQRABU-UHFFFAOYSA-N -1 0 364.486 5.260 50 30 FKEARM CCCCCCCCCCCCOc1c(OC)cc(C(=O)[O-])cc1OC ZINC000008417351 520011815 /nfs/dbraw/zinc/01/18/15/520011815.db2.gz AJJQQVVXUBHLBY-UHFFFAOYSA-N -1 0 366.498 5.702 50 30 FKEARM Cc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)[n-]c(=O)c2C#N)cc1 ZINC000008733592 571058231 /nfs/dbraw/zinc/05/82/31/571058231.db2.gz LDGNVZFAJKXWGE-UHFFFAOYSA-N -1 0 355.224 5.196 50 30 FKEARM S=c1[n-]nc(C2CCCCC2)n1N=Cc1ccc(-c2ccccc2)cc1 ZINC000009088679 207256548 /nfs/dbraw/zinc/25/65/48/207256548.db2.gz RZQLHDTZBLJPKZ-PXLXIMEGSA-N -1 0 362.502 5.538 50 30 FKEARM CCCCOc1ccc2ccccc2c1C=NNc1ccccc1C(=O)[O-] ZINC000011905655 570599810 /nfs/dbraw/zinc/59/98/10/570599810.db2.gz HCLXBFQJGXMYFC-HZHRSRAPSA-N -1 0 362.429 5.163 50 30 FKEARM O=C1C(=O)C(C2CCC(c3ccc(Cl)cc3)CC2)=C([O-])c2ccccc21 ZINC000012504271 570749107 /nfs/dbraw/zinc/74/91/07/570749107.db2.gz KUCQYCKVKVOKAY-UHFFFAOYSA-N -1 0 366.844 5.505 50 30 world FKEARM Oc1ccc(Br)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000013122566 570773797 /nfs/dbraw/zinc/77/37/97/570773797.db2.gz JDNLNJFDBFKBCG-SRZZPIQSSA-N -1 0 352.231 5.157 50 30 FKEARM C=C(C)COc1ccc(-c2ncncc2-c2ccc(Cl)cc2)c(O)c1 ZINC000013125498 220059089 /nfs/dbraw/zinc/05/90/89/220059089.db2.gz MUZBUVLCSFHFGT-UHFFFAOYSA-N -1 0 352.821 5.125 50 30 FKEARM [O-]c1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000013126146 211025073 /nfs/dbraw/zinc/02/50/73/211025073.db2.gz VTMMMXJPBSEINH-FOKLQQMPSA-N -1 0 368.786 5.415 50 30 FKEARM CCCC([O-])=C1C(=O)CC[C@H](c2cccc(Oc3ccccc3)c2)C1=O ZINC000013136479 519861740 /nfs/dbraw/zinc/86/17/40/519861740.db2.gz AOCGAHGKKACNRH-GOSISDBHSA-N -1 0 350.414 5.107 50 30 FKEARM CCCC([O-])=C1C(=O)CC[C@@H](c2cccc(Oc3ccccc3)c2)C1=O ZINC000013136480 519861785 /nfs/dbraw/zinc/86/17/85/519861785.db2.gz AOCGAHGKKACNRH-SFHVURJKSA-N -1 0 350.414 5.107 50 30 FKEARM CCc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C#N ZINC000013327801 220063648 /nfs/dbraw/zinc/06/36/48/220063648.db2.gz DNTLJFRFLQTDIW-UHFFFAOYSA-N -1 0 365.458 5.015 50 30 FKEARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 ZINC000013343415 211030262 /nfs/dbraw/zinc/03/02/62/211030262.db2.gz ZOYLRFVRVNAPQT-FPYGCLRLSA-N -1 0 355.604 5.241 50 30 FKEARM CCCCCCCCCCCCCCCCOc1ccccc1C(=O)[O-] ZINC000014299975 520001830 /nfs/dbraw/zinc/00/18/30/520001830.db2.gz ZSTXTALVALLOGG-UHFFFAOYSA-N -1 0 362.554 7.245 50 30 FKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3)oc2c1 ZINC000014920693 570969299 /nfs/dbraw/zinc/96/92/99/570969299.db2.gz NWRLFMSROHBVPA-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1ccc2oc(-c3cc(/N=C\c4cccc(C)c4O)ccc3[O-])nc2c1 ZINC000015938961 570848297 /nfs/dbraw/zinc/84/82/97/570848297.db2.gz QSRMVSDWTPVTRO-FMCGGJTJSA-N -1 0 358.397 5.273 50 30 FKEARM N#CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c([O-])c2n1 ZINC000016406496 220184508 /nfs/dbraw/zinc/18/45/08/220184508.db2.gz IULAVWKJVSUYSE-AATRIKPKSA-N -1 0 371.223 5.320 50 30 FKEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2Cl)c1 ZINC000017027577 220200435 /nfs/dbraw/zinc/20/04/35/220200435.db2.gz OVWFLEIDMNGHHG-DJKKODMXSA-N -1 0 363.273 5.105 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCSc1ccc(Cl)cc1 ZINC000017129966 211180719 /nfs/dbraw/zinc/18/07/19/211180719.db2.gz BBIZZSXEJWAVIC-DJKKODMXSA-N -1 0 360.693 5.564 50 30 FKEARM N#Cc1cnc([N-]c2nc3ccccc3s2)nc1-c1ccc(Cl)cc1 ZINC000017197144 571275352 /nfs/dbraw/zinc/27/53/52/571275352.db2.gz DOKPNPQIENZAID-UHFFFAOYSA-N -1 0 363.833 5.022 50 30 FKEARM Cc1ccc2oc(-c3ccc(/N=C/c4cccc(Cl)c4[O-])cc3)nc2c1 ZINC000017242820 220212311 /nfs/dbraw/zinc/21/23/11/220212311.db2.gz JGZFJRDXFGWJBZ-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM Cc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000019814468 570903848 /nfs/dbraw/zinc/90/38/48/570903848.db2.gz STZXBAMISOEQOZ-YDZHTSKRSA-N -1 0 366.848 5.065 50 30 FKEARM CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000028537958 571032902 /nfs/dbraw/zinc/03/29/02/571032902.db2.gz UYZIMGIUGBXMOC-IBGZPJMESA-N -1 0 355.563 5.837 50 30 FKEARM CCCCCCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)[O-] ZINC000028537963 571032883 /nfs/dbraw/zinc/03/28/83/571032883.db2.gz UYZIMGIUGBXMOC-LJQANCHMSA-N -1 0 355.563 5.837 50 30 FKEARM C=CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] ZINC000032196458 571151368 /nfs/dbraw/zinc/15/13/68/571151368.db2.gz YGTSVJQQDISEHZ-UHFFFAOYSA-N -1 0 352.603 8.059 50 30 in-vitro FKEARM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2Cl)cc1 ZINC000033473294 208094420 /nfs/dbraw/zinc/09/44/20/208094420.db2.gz ZOYLRFVRVNAPQT-BAQGIRSFSA-N -1 0 355.604 5.241 50 30 FKEARM C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)[O-] ZINC000034171406 518665269 /nfs/dbraw/zinc/66/52/69/518665269.db2.gz OMNJRQNCWHCCBZ-BULWIKRESA-N -1 0 362.510 5.138 50 30 FKEARM C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC/C(C)=C/COC(C)=O ZINC000034265086 571151318 /nfs/dbraw/zinc/15/13/18/571151318.db2.gz HSANNLXBHKRHSH-LMUCYUMOSA-N -1 0 362.510 5.140 50 30 FKEARM C=CCc1c2c(ccc1O)n(-c1cccc(Cl)c1)c(C)c2C(=O)OCC ZINC000038495436 206336529 /nfs/dbraw/zinc/33/65/29/206336529.db2.gz CVNPJQCTVVKQCR-UHFFFAOYSA-N -1 0 369.848 5.203 50 30 FKEARM N#CC(=C([O-])c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504190 571111637 /nfs/dbraw/zinc/11/16/37/571111637.db2.gz RGCOJSRTWACETJ-NSHDSACASA-N -1 0 352.415 5.140 50 30 FKEARM N#CC(=C([O-])c1cc2c(cccc2F)s1)c1nc2ccccc2s1 ZINC000041504194 571111951 /nfs/dbraw/zinc/11/19/51/571111951.db2.gz RGCOJSRTWACETJ-LLVKDONJSA-N -1 0 352.415 5.140 50 30 FKEARM Cc1cc(C(C#N)=C([O-])c2cc3sc4ccccc4c3s2)nc(C)n1 ZINC000041562222 205090994 /nfs/dbraw/zinc/09/09/94/205090994.db2.gz UXUVFYCENGTHDR-CYBMUJFWSA-N -1 0 363.467 5.013 50 30 FKEARM Cc1cc(C(C#N)=C([O-])c2cc3sc4ccccc4c3s2)nc(C)n1 ZINC000041562224 205091992 /nfs/dbraw/zinc/09/19/92/205091992.db2.gz UXUVFYCENGTHDR-ZDUSSCGKSA-N -1 0 363.467 5.013 50 30 FKEARM CCCCCC/C=C\CCCCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000042835776 519946334 /nfs/dbraw/zinc/94/63/34/519946334.db2.gz MBYNDKVOZOAOIS-FPLPWBNLSA-N -1 0 374.565 7.280 50 30 endogenous,in-man FKEARM COc1cccc2sc(/N=C/c3cc(Cl)cc(Cl)c3[O-])nc21 ZINC000048524515 570954946 /nfs/dbraw/zinc/95/49/46/570954946.db2.gz LXHNKFVKBPZISA-CNHKJKLMSA-N -1 0 353.230 5.068 50 30 FKEARM CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-] ZINC000056897710 221081542 /nfs/dbraw/zinc/08/15/42/221081542.db2.gz MHQJUHSHQGQVTM-VHEBQXMUSA-N -1 0 368.558 6.432 50 30 in-man FKEARM CCCCCCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000059144567 519988353 /nfs/dbraw/zinc/98/83/53/519988353.db2.gz XOAIXMQPJQVGRV-IBGZPJMESA-N -1 0 353.547 5.543 50 30 FKEARM CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)[O-] ZINC000059207670 212015634 /nfs/dbraw/zinc/01/56/34/212015634.db2.gz DIOYAVUHUXAUPX-ZHACJKMWSA-N -1 0 353.547 5.567 50 30 FKEARM CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)[O-] ZINC000059588145 221126750 /nfs/dbraw/zinc/12/67/50/221126750.db2.gz QMGGUIASDZZMHS-IBGZPJMESA-N -1 0 356.547 6.264 50 30 endogenous,in-man FKEARM CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)[O-] ZINC000059588153 205281680 /nfs/dbraw/zinc/28/16/80/205281680.db2.gz QMGGUIASDZZMHS-LJQANCHMSA-N -1 0 356.547 6.264 50 30 endogenous,in-man FKEARM CCCCCCCCCCCCCCCCC[C@@H](O)S(=O)(=O)[O-] ZINC000059681857 571151319 /nfs/dbraw/zinc/15/13/19/571151319.db2.gz FAOVOOSCPCMNFQ-SFHVURJKSA-N -1 0 350.565 5.454 50 30 FKEARM CCCCCCCCCCCCCCCCC[C@H](O)S(=O)(=O)[O-] ZINC000059681862 206686866 /nfs/dbraw/zinc/68/68/66/206686866.db2.gz FAOVOOSCPCMNFQ-GOSISDBHSA-N -1 0 350.565 5.454 50 30 FKEARM CCCCCCCCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000059727456 519988569 /nfs/dbraw/zinc/98/85/69/519988569.db2.gz XOAIXMQPJQVGRV-LJQANCHMSA-N -1 0 353.547 5.543 50 30 FKEARM CCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)[O-] ZINC000060125193 571151379 /nfs/dbraw/zinc/15/13/79/571151379.db2.gz RPGJJWLCCOPDAZ-NRFANRHFSA-N -1 0 356.591 6.864 50 30 in-vitro FKEARM CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)[O-] ZINC000060125195 210208351 /nfs/dbraw/zinc/20/83/51/210208351.db2.gz RPGJJWLCCOPDAZ-OAQYLSRUSA-N -1 0 356.591 6.864 50 30 in-vitro FKEARM CCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000060239233 212019954 /nfs/dbraw/zinc/01/99/54/212019954.db2.gz JQSSXIRDGUMPNP-UHFFFAOYSA-N -1 0 354.490 6.143 50 30 FKEARM COc1cc(C)ccc1/C=C/C(=O)c1ccc(OCc2ccccc2)cc1[O-] ZINC000066055069 522256807 /nfs/dbraw/zinc/25/68/07/522256807.db2.gz DYJRUULHFSTCQA-JLHYYAGUSA-N -1 0 374.436 5.184 50 30 FKEARM CCCCCCCCCCCCCCCCCC(=O)CCCCC(=O)[O-] ZINC000077979458 571133913 /nfs/dbraw/zinc/13/39/13/571133913.db2.gz STOIRZPXTADGKG-UHFFFAOYSA-N -1 0 368.602 7.462 50 30 FKEARM CCCCCCCCCCCCCCCCS(=O)(=O)CCC(=O)[O-] ZINC000079383655 221689853 /nfs/dbraw/zinc/68/98/53/221689853.db2.gz FDDHGUHZIGVYLK-UHFFFAOYSA-N -1 0 362.576 5.357 50 30 FKEARM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000084027028 571066688 /nfs/dbraw/zinc/06/66/88/571066688.db2.gz IQJOASWDZWYCPO-CYBMUJFWSA-N -1 0 365.845 5.230 50 30 FKEARM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000084027031 571066733 /nfs/dbraw/zinc/06/67/33/571066733.db2.gz IQJOASWDZWYCPO-ZDUSSCGKSA-N -1 0 365.845 5.230 50 30 FKEARM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000084575353 519501984 /nfs/dbraw/zinc/50/19/84/519501984.db2.gz OPCAIYWRLFVILM-MRXNPFEDSA-N -1 0 373.481 5.397 50 30 FKEARM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc21 ZINC000084575355 519502174 /nfs/dbraw/zinc/50/21/74/519502174.db2.gz OPCAIYWRLFVILM-INIZCTEOSA-N -1 0 373.481 5.397 50 30 FKEARM Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(-c2ccccc2)s1 ZINC000095467976 205762389 /nfs/dbraw/zinc/76/23/89/205762389.db2.gz ZVLWKIZDAMMUBJ-KRWDZBQOSA-N -1 0 369.449 5.157 50 30 FKEARM Cc1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(-c2ccccc2)s1 ZINC000095467977 209055431 /nfs/dbraw/zinc/05/54/31/209055431.db2.gz ZVLWKIZDAMMUBJ-QGZVFWFLSA-N -1 0 369.449 5.157 50 30 FKEARM Cc1ccc(-c2nc3ccc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])cc3o2)cc1 ZINC000095482068 570461778 /nfs/dbraw/zinc/46/17/78/570461778.db2.gz MNYNHHGEPWMQFV-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1ccccc1-c1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2o1 ZINC000095482069 571331039 /nfs/dbraw/zinc/33/10/39/571331039.db2.gz ICJVXJQCQDPRAJ-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM CCCCCCCCCCCCSC(=S)[N-]c1ccc(F)cc1 ZINC000095723014 263429087 /nfs/dbraw/zinc/42/90/87/263429087.db2.gz KBESYQUOUCIXQW-UHFFFAOYSA-N -1 0 355.588 7.177 50 30 FKEARM CCCCCCCCCCCCSC(=S)[N-]c1ccc(OC)cc1 ZINC000095723018 570471025 /nfs/dbraw/zinc/47/10/25/570471025.db2.gz ONNYMZNAMNKGOH-UHFFFAOYSA-N -1 0 367.624 7.046 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Cl ZINC000095917935 570471611 /nfs/dbraw/zinc/47/16/11/570471611.db2.gz SXPLKOMMFMGVKK-AERZKKPOSA-N -1 0 368.569 6.122 50 30 FKEARM CCCCCCCCCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000098042985 519977765 /nfs/dbraw/zinc/97/77/65/519977765.db2.gz MCFWEGNPNQTJRO-UHFFFAOYSA-N -1 0 370.287 5.227 50 30 FKEARM CCCCCCCCCCSC1=NC(=O)C(c2ccccc2)C([O-])=N1 ZINC000098043733 209202249 /nfs/dbraw/zinc/20/22/49/209202249.db2.gz NHUSAXAAYGZXJG-UHFFFAOYSA-N -1 0 360.523 5.375 50 30 FKEARM CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)[O-] ZINC000100005635 205936151 /nfs/dbraw/zinc/93/61/51/205936151.db2.gz DIOYAVUHUXAUPX-KHPPLWFESA-N -1 0 353.547 5.567 50 30 FKEARM CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)[O-] ZINC000100022035 209207296 /nfs/dbraw/zinc/20/72/96/209207296.db2.gz ZPUDRBWHCWYMQS-UHFFFAOYSA-N -1 0 374.609 7.510 50 30 FKEARM CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)[O-] ZINC000100032808 209208009 /nfs/dbraw/zinc/20/80/09/209208009.db2.gz DZFGVGDQHQHOKZ-UHFFFAOYSA-N -1 0 364.642 6.522 50 30 FKEARM CCCCCCCCCCCCCCCCNC(=O)C(=N\[O-])/C(C)=N/O ZINC000100167136 222238354 /nfs/dbraw/zinc/23/83/54/222238354.db2.gz MJBWYKVZOGNINL-YLRGQORSSA-N -1 0 369.550 5.264 50 30 FKEARM CCCCCCCCCCOc1ccc(/C(=N/O)c2ccccc2)c(O)c1 ZINC000100167537 222238087 /nfs/dbraw/zinc/23/80/87/222238087.db2.gz VVVUILSCKIBVLM-WCWDXBQESA-N -1 0 369.505 6.138 50 30 FKEARM COc1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(OC)cc1Cl ZINC000100255941 209212104 /nfs/dbraw/zinc/21/21/04/209212104.db2.gz OENYCYKMRNEMNI-FBCYGCLPSA-N -1 0 360.624 5.120 50 30 FKEARM [O-]/N=C(\Sc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000100324272 222242022 /nfs/dbraw/zinc/24/20/22/222242022.db2.gz PKVKEZUKWLGLCH-NDENLUEZSA-N -1 0 367.179 5.335 50 30 FKEARM CCCCCCCCCCSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000100395802 222242762 /nfs/dbraw/zinc/24/27/62/222242762.db2.gz CQCZGDLSXCVSOV-UHFFFAOYSA-N -1 0 360.523 5.171 50 30 FKEARM [O-]/N=C(\c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000100467637 222244976 /nfs/dbraw/zinc/24/49/76/222244976.db2.gz NPGQDHORGPOZSS-JWURABDDSA-N -1 0 350.643 5.085 50 30 FKEARM Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2)c1 ZINC000100507619 209214222 /nfs/dbraw/zinc/21/42/22/209214222.db2.gz IKNNQLHYCCCTLU-YDZHTSKRSA-N -1 0 364.832 5.357 50 30 FKEARM CCCCCCCCCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O ZINC000100707463 222250083 /nfs/dbraw/zinc/25/00/83/222250083.db2.gz DOBNQLPHTSJFOY-UHFFFAOYSA-N -1 0 373.493 5.025 50 30 FKEARM CCOC(=O)c1cc(CC)sc1/N=C/c1c(O)ccc2ccccc21 ZINC000100715451 222250929 /nfs/dbraw/zinc/25/09/29/222250929.db2.gz WCVNBBDGDTULRC-CIAFOILYSA-N -1 0 353.443 5.097 50 30 FKEARM CCCCCCCCCCCCCC([O-])=C1C(=O)CC(C)(C)CC1=O ZINC000100748124 519988670 /nfs/dbraw/zinc/98/86/70/519988670.db2.gz LXSGFKJJXHCOTN-UHFFFAOYSA-N -1 0 350.543 6.458 50 30 FKEARM CCCCCCCCCCCCOc1ccc(C([O-])=CC(=O)OC)cc1 ZINC000100815740 520011366 /nfs/dbraw/zinc/01/13/66/520011366.db2.gz OPGXDWXSOXBTNY-UHFFFAOYSA-N -1 0 362.510 5.732 50 30 FKEARM CCCCCCCCCCCCCCCCOc1cccc(C(=O)[O-])c1 ZINC000100815833 520001178 /nfs/dbraw/zinc/00/11/78/520001178.db2.gz SOPXDWKIHUVGSG-UHFFFAOYSA-N -1 0 362.554 7.245 50 30 FKEARM Cc1ccc(N=CC(C(=O)C(F)(F)F)=C([O-])c2cccs2)cc1Cl ZINC000100862350 222255159 /nfs/dbraw/zinc/25/51/59/222255159.db2.gz IUCDOJVWQSZKIO-FLIBITNWSA-N -1 0 373.783 5.020 50 30 FKEARM CCCCCCCCCOc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000100910989 520029753 /nfs/dbraw/zinc/02/97/53/520029753.db2.gz NMHKXBPJKHQOAM-UHFFFAOYSA-N -1 0 368.517 6.500 50 30 FKEARM [O-]/N=C(\c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000100914135 222256307 /nfs/dbraw/zinc/25/63/07/222256307.db2.gz NPGQDHORGPOZSS-ZYBWJBSQSA-N -1 0 350.643 5.085 50 30 FKEARM CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)[O-] ZINC000100990495 206312887 /nfs/dbraw/zinc/31/28/87/206312887.db2.gz NNFVBMSZYDDWSM-UHFFFAOYSA-N -1 0 370.574 6.656 50 30 FKEARM CCCCCCCCCCCCSC(=S)S[C@H](C)C(=O)[O-] ZINC000101651079 570512762 /nfs/dbraw/zinc/51/27/62/570512762.db2.gz CFCFZJHCTNKHGJ-CQSZACIVSA-N -1 0 350.615 6.132 50 30 FKEARM CCCCCCCCCCCCSC(=S)S[C@@H](C)C(=O)[O-] ZINC000101651081 570512832 /nfs/dbraw/zinc/51/28/32/570512832.db2.gz CFCFZJHCTNKHGJ-AWEZNQCLSA-N -1 0 350.615 6.132 50 30 FKEARM CCOc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3[O-])sc2c1 ZINC000101667560 222281135 /nfs/dbraw/zinc/28/11/35/222281135.db2.gz TYNNEMQEUZLCGE-UFWORHAWSA-N -1 0 367.257 5.458 50 30 FKEARM CCCCCCCCCCCCC#CCCCCCCCCC(=O)[O-] ZINC000102140192 222290120 /nfs/dbraw/zinc/29/01/20/222290120.db2.gz HLPNWONHIIPUJO-UHFFFAOYSA-N -1 0 350.587 7.506 50 30 FKEARM CCCCCCCCCCCCCCCCCCNC(=O)/C=C/C(=O)[O-] ZINC000102313970 210105645 /nfs/dbraw/zinc/10/56/45/210105645.db2.gz NWODYZCQADERLP-VHEBQXMUSA-N -1 0 367.574 6.005 50 30 FKEARM Cc1cccc(-c2nc3ccc(/N=C/c4cc(Cl)ccc4O)cc3o2)c1 ZINC000102417520 209236414 /nfs/dbraw/zinc/23/64/14/209236414.db2.gz ZDBSXZYSSJQBDV-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM Cc1ccccc1-c1nc2ccc(/N=C/c3cc(Cl)ccc3O)cc2o1 ZINC000102417524 209236235 /nfs/dbraw/zinc/23/62/35/209236235.db2.gz VYIYFEUFRAMXKT-FSJBWODESA-N -1 0 362.816 5.913 50 30 FKEARM COc1ccc(C(=O)C=C([O-])c2ccccc2OCc2ccccc2)cc1 ZINC000103377618 570847815 /nfs/dbraw/zinc/84/78/15/570847815.db2.gz JSRNLSTUUASYGC-QNGOZBTKSA-N -1 0 360.409 5.056 50 30 FKEARM CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)[O-] ZINC000103727966 222341981 /nfs/dbraw/zinc/34/19/81/222341981.db2.gz MUNNIYAZGQGMQR-UHFFFAOYSA-N -1 0 369.590 6.229 50 30 in-vitro FKEARM Cc1ccc2nc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3[O-])oc2c1 ZINC000103753116 209254881 /nfs/dbraw/zinc/25/48/81/209254881.db2.gz WWBPCLHEYGDACN-WSDLNYQXSA-N -1 0 373.368 5.168 50 30 FKEARM COc1ccc(C(=O)C=C([O-])c2ccccc2OCc2ccccc2)cc1 ZINC000109978233 571178473 /nfs/dbraw/zinc/17/84/73/571178473.db2.gz JSRNLSTUUASYGC-RCCKNPSSSA-N -1 0 360.409 5.056 50 30 FKEARM O=C1C(=O)C([C@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)=C([O-])c2ccccc21 ZINC000116473771 571108793 /nfs/dbraw/zinc/10/87/93/571108793.db2.gz KUCQYCKVKVOKAY-CTYIDZIISA-N -1 0 366.844 5.505 50 30 fda FKEARM O=C1C(=O)C(CCC[C@@H]2CCC[C@H]3CCCC[C@H]32)=C([O-])c2ccccc21 ZINC000216304942 570783942 /nfs/dbraw/zinc/78/39/42/570783942.db2.gz NUUNXYJGPKCBLC-IXDOHACOSA-N -1 0 352.474 5.655 50 30 FKEARM Cc1cc(C=Nc2ccc([O-])c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000245204307 571120331 /nfs/dbraw/zinc/12/03/31/571120331.db2.gz RBGZUQSSGZPMLS-UHFFFAOYSA-N -1 0 359.256 5.857 50 30 FKEARM CCCOC(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000252460444 571278891 /nfs/dbraw/zinc/27/88/91/571278891.db2.gz FKYNWSRSQFDDQR-UHFFFAOYSA-N -1 0 352.217 5.016 50 30 FKEARM CCCCC[C@H](F)/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)[O-] ZINC000252461258 520312844 /nfs/dbraw/zinc/31/28/44/520312844.db2.gz LQQORSBLZLAVKX-NDOQHODISA-N -1 0 355.494 5.743 50 30 FKEARM CCCCC[C@@H](F)/C=C/[C@H]1CCC(=NO)[C@@H]1CCCCCCC(=O)[O-] ZINC000252461259 520292682 /nfs/dbraw/zinc/29/26/82/520292682.db2.gz LQQORSBLZLAVKX-VDTPOSAZSA-N -1 0 355.494 5.743 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000252461411 571279020 /nfs/dbraw/zinc/27/90/20/571279020.db2.gz MAFXBSVDQNIJJO-UHFFFAOYSA-N -1 0 364.257 5.269 50 30 FKEARM Cc1cccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])ccc4[O-])ccc3o2)c1 ZINC000252592242 571284160 /nfs/dbraw/zinc/28/41/60/571284160.db2.gz BDXSFQJVJHYVJX-UHFFFAOYSA-N -1 0 373.368 5.168 50 30 FKEARM [O-]c1ccccc1-c1nc2ccccc2c(N=NCc2ccccc2Cl)n1 ZINC000252592347 571284103 /nfs/dbraw/zinc/28/41/03/571284103.db2.gz BEUCEBGGZDRAJZ-UHFFFAOYSA-N -1 0 374.831 5.102 50 30 FKEARM O=c1oc2c3ccccc3ccc2c([O-])c1C=Nc1cccc2ccccc21 ZINC000252592362 571284132 /nfs/dbraw/zinc/28/41/32/571284132.db2.gz BEWPESBLLWQECF-UHFFFAOYSA-N -1 0 365.388 5.556 50 30 FKEARM Cc1ccc2oc(-c3ccc(N=Cc4cc(Cl)ccc4O)cc3)nc2c1 ZINC000252601781 571284572 /nfs/dbraw/zinc/28/45/72/571284572.db2.gz FDCUCLADZJWVMV-UHFFFAOYSA-N -1 0 362.816 5.913 50 30 FKEARM Cc1ccc2oc(-c3ccc(N=Cc4cccc(Cl)c4[O-])cc3)nc2c1 ZINC000252614214 571285928 /nfs/dbraw/zinc/28/59/28/571285928.db2.gz JGZFJRDXFGWJBZ-UHFFFAOYSA-N -1 0 362.816 5.913 50 30 FKEARM CCOc1cccc(C=Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)c1O ZINC000252618116 571286461 /nfs/dbraw/zinc/28/64/61/571286461.db2.gz LECADABKWRDUAC-UHFFFAOYSA-N -1 0 374.396 5.055 50 30 FKEARM Cc1cccc(C=Nc2ccc(-c3nc4ccccc4s3)cc2O)c1O ZINC000252618929 571286583 /nfs/dbraw/zinc/28/65/83/571286583.db2.gz LKXAMVWVOUMFRW-UHFFFAOYSA-N -1 0 360.438 5.434 50 30 FKEARM COc1ccc(N=Cc2c(C)c(Cl)c(C)c(Br)c2[O-])cc1 ZINC000252619922 571287278 /nfs/dbraw/zinc/28/72/78/571287278.db2.gz LUMOWWKFWBDWGY-UHFFFAOYSA-N -1 0 368.658 5.184 50 30 FKEARM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc3c(c2)oc2ccccc23)c1[O-] ZINC000252628842 571289427 /nfs/dbraw/zinc/28/94/27/571289427.db2.gz SZHSJAIELQVDHF-UHFFFAOYSA-N -1 0 366.760 5.604 50 30 FKEARM Nc1c(Cl)cc(N=Cc2cccc3cccc(C(=O)[O-])c23)cc1Cl ZINC000252630682 570624643 /nfs/dbraw/zinc/62/46/43/570624643.db2.gz VDCLQYYFYFRYHY-UHFFFAOYSA-N -1 0 359.212 5.178 50 30 FKEARM O=C([O-])c1cccc(N=Cc2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000252630993 571289827 /nfs/dbraw/zinc/28/98/27/571289827.db2.gz VGLQCZSDGDXIPH-UHFFFAOYSA-N -1 0 365.816 5.368 50 30 FKEARM CCOc1ccc(C=Nc2cccc3c(-c4ccccc4)ccnc23)c(O)c1 ZINC000252632440 571290051 /nfs/dbraw/zinc/29/00/51/571290051.db2.gz VTJNGEDDRMBIIK-UHFFFAOYSA-N -1 0 368.436 5.757 50 30 FKEARM C=CCc1cccc(C=Nc2nc3ccccc3n2Cc2ccccc2)c1O ZINC000252632617 571290080 /nfs/dbraw/zinc/29/00/80/571290080.db2.gz VVFGLGSCNSUXFM-UHFFFAOYSA-N -1 0 367.452 5.269 50 30 FKEARM Cc1cc(Br)c(O)c(C=Nc2ccc(Cl)cc2Cl)c1 ZINC000252632808 571290056 /nfs/dbraw/zinc/29/00/56/571290056.db2.gz VXDOGCKTKIDSLN-UHFFFAOYSA-N -1 0 359.050 5.521 50 30 FKEARM Cc1ccc(-c2nc3cc(N=Cc4cc([N+](=O)[O-])ccc4[O-])ccc3o2)cc1 ZINC000252640446 571291628 /nfs/dbraw/zinc/29/16/28/571291628.db2.gz YUCSKYWJZDRDIU-UHFFFAOYSA-N -1 0 373.368 5.168 50 30 FKEARM Cc1cc(C=Nc2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000252640593 571291719 /nfs/dbraw/zinc/29/17/19/571291719.db2.gz YVEUIXQUTJIRNN-UHFFFAOYSA-N -1 0 352.821 5.196 50 30 FKEARM Cc1cc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c([O-])c([N+](=O)[O-])c1 ZINC000252641136 571292157 /nfs/dbraw/zinc/29/21/57/571292157.db2.gz ZAHWRTBPYMPCLS-UHFFFAOYSA-N -1 0 373.368 5.168 50 30 FKEARM Oc1ccccc1C=Nc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000252641841 571292090 /nfs/dbraw/zinc/29/20/90/571292090.db2.gz ZGQPWHPMZNDBER-UHFFFAOYSA-N -1 0 361.832 5.194 50 30 FKEARM Cc1cc(Br)c(O)c(C=Nc2ccc3nc(C)ccc3c2)c1 ZINC000252642329 571292106 /nfs/dbraw/zinc/29/21/06/571292106.db2.gz ZLASLYJIBJKZAU-UHFFFAOYSA-N -1 0 355.235 5.070 50 30 FKEARM Cc1cc(O)c(N=Cc2ccc(-c3cccc(Br)c3)o2)cc1C ZINC000252642364 571292126 /nfs/dbraw/zinc/29/21/26/571292126.db2.gz ZLJGMHCSQIWBTL-UHFFFAOYSA-N -1 0 370.246 5.782 50 30 FKEARM CCc1ccc2oc(-c3cc(N=Cc4cccc(C)c4O)ccc3[O-])nc2c1 ZINC000252643566 571292130 /nfs/dbraw/zinc/29/21/30/571292130.db2.gz ZWFLDUOEZJJQLJ-UHFFFAOYSA-N -1 0 372.424 5.527 50 30 FKEARM CCCCn1c2ccccc2nc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000252679694 521375048 /nfs/dbraw/zinc/37/50/48/521375048.db2.gz QAILIFPQCMHGLK-UHFFFAOYSA-N -1 0 362.260 5.599 50 30 FKEARM O=[N+]([O-])c1cc2oc3c(c2c(C=Nc2ccccc2Cl)c1[O-])CCCC3 ZINC000252679981 527341771 /nfs/dbraw/zinc/34/17/71/527341771.db2.gz UJVGLDBEFDFFRI-UHFFFAOYSA-N -1 0 370.792 5.329 50 30 FKEARM S=c1[n-]nc(-c2ccc(Cl)cc2)n1N=Cc1cccc2ccccc12 ZINC000254289471 571318038 /nfs/dbraw/zinc/31/80/38/571318038.db2.gz IOHVZVQASPCBFA-UHFFFAOYSA-N -1 0 364.861 5.296 50 30 FKEARM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(Oc2ccccc2)cc1 ZINC000254301584 571318027 /nfs/dbraw/zinc/31/80/27/571318027.db2.gz VFBZHXCHFOZMAM-UHFFFAOYSA-N -1 0 358.224 6.242 50 30 FKEARM O=C1C(=O)C(CCCC[C@@H]2CC[C@H]3CCCC[C@H]3C2)=C([O-])c2ccccc21 ZINC000254526155 527129252 /nfs/dbraw/zinc/12/92/52/527129252.db2.gz NCHVXENYWKKANN-KURKYZTESA-N -1 0 366.501 6.045 50 30 FKEARM O=C1C(=O)C(CCCC[C@@H]2CC[C@@H]3CCCC[C@H]3C2)=C([O-])c2ccccc21 ZINC000254526158 527128749 /nfs/dbraw/zinc/12/87/49/527128749.db2.gz NCHVXENYWKKANN-SQNIBIBYSA-N -1 0 366.501 6.045 50 30 FKEARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256409518 571318275 /nfs/dbraw/zinc/31/82/75/571318275.db2.gz CREVIXFSUWYGRJ-LWXCPBFYSA-N -1 0 370.533 5.411 50 30 FKEARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256409522 571318243 /nfs/dbraw/zinc/31/82/43/571318243.db2.gz CREVIXFSUWYGRJ-NMAUOMHUSA-N -1 0 370.533 5.411 50 30 FKEARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000256409527 571318240 /nfs/dbraw/zinc/31/82/40/571318240.db2.gz CREVIXFSUWYGRJ-SBIILMACSA-N -1 0 370.533 5.411 50 30 FKEARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256409533 571318235 /nfs/dbraw/zinc/31/82/35/571318235.db2.gz CREVIXFSUWYGRJ-ZNSLFNHRSA-N -1 0 370.533 5.411 50 30 FKEARM CCC(=O)c1ccc([O-])c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000328596629 521244290 /nfs/dbraw/zinc/24/42/90/521244290.db2.gz JSLACYFMMQABKU-UHFFFAOYSA-N -1 0 359.425 5.405 50 30 FKEARM N#Cc1nc(-c2ccccc2)oc1NCCCCCCCCCCC(=O)[O-] ZINC000334161813 210162739 /nfs/dbraw/zinc/16/27/39/210162739.db2.gz FWHNIKSVEDGKIC-UHFFFAOYSA-N -1 0 369.465 5.221 50 30 FKEARM